A0A077ZJ68_TRITR Loading...

Zona pellucida domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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	33	Very low	26.4	Very low	242 Å²	242	168.7 Å²	168.7	100%	1.192	85%	0.854	S	S	*	*				0	112.9	0	-158.1	171.5	-175.4	0	0	107.4	I3	M1-I3 PolarHBondContact O-N 2.95Å
2	Q	24.3	Very low	26.6	Very low	180 Å²	180	160.3 Å²	160.3	84%	0.841	84%	0.84	S	S	*	*			trans	-76	120.5	-168.3	-74.5	-162.9	-24	0	0	111.9	K4	Q2-K4 PolarHBondContact O-N 3.27Å
3	I	24.9	Very low	27	Very low	165 Å²	165	156.2 Å²	156.2	85%	0.846	83%	0.834	S	S	*	*			trans	-78.9	100.6	166.5	-61.1	171.3	0	0	0	106.7	M1 R5	M1-I3 PolarHBondContact O-N 2.95Å; I3-R5 PolarHBondContact O-N 3.47Å
4	K	22.9	Very low	27.2	Very low	181 Å²	181	149.6 Å²	149.6	79%	0.787	81%	0.805	S	S	*	*			trans	-74.2	118.4	169	-88.4	-175.6	173.6	-178.7	0	109.1	Q2	Q2-K4 PolarHBondContact O-N 3.27Å
5	R	22.8	Very low	27.7	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.875	78%	0.784	S	S	*	*			trans	-66.6	127.2	161.8	-69.5	-179.2	-171.3	169.8	2.6	107.7	I3 T7	I3-R5 PolarHBondContact O-N 3.47Å; R5-T7 PolarHBondContact O-N 3.17Å
6	V	26.8	Very low	28.2	Very low	144 Å²	144	140.9 Å²	140.9	87%	0.873	77%	0.769	S	S	*	*			trans	-81.2	107	167.3	178.8	0	0	0	0	106.7
7	T	27.6	Very low	28.7	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	74%	0.739	S	S	*	*			trans	-74.1	142	169	18.1	0	0	0	0	110.1	R5 A9	R5-T7 PolarHBondContact O-N 3.17Å; T7-A9 PolarHBondContact O-N 3.03Å
8	E	26.1	Very low	29	Very low	197 Å²	197	133.4 Å²	133.4	92%	0.921	73%	0.725	S	S	*	*			trans	-51.2	118	177.8	-66.9	164.7	161.2	0	0	111.4
9	A	27	Very low	29.6	Very low	82 Å²	82	126.4 Å²	126.4	68%	0.678	69%	0.687	S	S	*	*			trans	-107	108.6	167.6	0	0	0	0	0	108.3	T7 I11	T7-A9 PolarHBondContact O-N 3.03Å; A9-I11 PolarHBondContact O-N 3.4Å; A9-I11 VanDerWaalsContact O-N 3.08Å
10	N	25.8	Very low	29.8	Very low	169 Å²	169	128.9 Å²	128.9	90%	0.904	69%	0.686	S	S	*	*			trans	-58.7	104.2	168.1	-80.6	-44.6	0	0	0	109.7
11	I	29.5	Very low	30.5	Very low	140 Å²	140	123.7 Å²	123.7	72%	0.718	66%	0.657	S	S	*	*			trans	-130.3	127.6	166.1	-61.3	174.8	0	0	0	106	A9 S13	A9-I11 PolarHBondContact O-N 3.4Å; A9-I11 VanDerWaalsContact O-N 3.08Å; I11-S13 PolarHBondContact O-N 3.15Å
12	G	28.1	Very low	30.7	Very low	67 Å²	67	116.6 Å²	116.6	69%	0.691	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-22.9	117.9	-171.1	0	0	0	0	0	116.6	C14	G12-C14 PolarHBondContact O-N 3.08Å
13	S	31.8	Very low	31.4	Very low	108 Å²	108	108.6 Å²	108.6	76%	0.755	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	39.1	62.1	165.2	66.3	0	0	0	0	115.5	I11	I11-S13 PolarHBondContact O-N 3.15Å
14	C	30.8	Very low	32.2	Very low	63 Å²	63	107.7 Å²	107.7	43%	0.426	59%	0.587	S	S	.	*			trans	-134.9	99.2	157.5	-94	0	0	0	0	108	G12 V16	G12-C14 PolarHBondContact O-N 3.08Å; C14-V16 PolarHBondContact O-N 3.25Å
15	S	34.6	Very low	33.5	Very low	71 Å²	71	104.8 Å²	104.8	50%	0.497	58%	0.58	S	S	.	*			trans	-65.1	112.5	173.2	9.7	0	0	0	0	109.1
16	V	34.7	Very low	35.1	Very low	89 Å²	89	95.7 Å²	95.7	54%	0.539	56%	0.555	S	S	.	*			trans	-70.9	125.4	175.6	177.6	0	0	0	0	108.7	C14 F18	C14-V16 PolarHBondContact O-N 3.25Å; V16-F18 HydrophobicContact CG1-CE2 4.5Å
17	S	38	Very low	36.6	Very low	38 Å²	38	88.9 Å²	88.9	27%	0.266	51%	0.514	S	S	.	.			trans	-159.6	159.4	170.7	-64.1	0	0	0	0	110.9	Q148	S17-Q148 VanDerWaalsContact CB-NE2 3.25Å; S17-Q148 VanDerWaalsContact CB-OE1 3.25Å; S17-Q148 PolarHBondContact O-OE1 3.41Å
18	F	34.3	Very low	38.4	Very low	110 Å²	110	83.8 Å²	83.8	48%	0.482	48%	0.484	S	S	.	.			trans	-114.6	119.2	-172.2	-63.6	-90	0	0	0	112.6	V16 N146 Q148	V16-F18 HydrophobicContact CG1-CE2 4.5Å; F18-N146 PolarHBondContact O-ND2 3.28Å; F18-Q148 PolarHBondContact O-NE2 3.35Å
19	A	39.1	Very low	40.9	Very low	0 Å²	0	75.7 Å²	75.7	0%	0	45%	0.445	C	S	.	.			trans	-75.5	143.2	167.3	0	0	0	0	0	110.2	F21 Y29 G31 N146 V153	A19-F21 HydrophobicContact CB-CD2 4.25Å; A19-F21 HydrophobicContact CB-CE2 3.55Å; A19-F21 HydrophobicContact CB-CZ 4.47Å; A19-Y29 PolarHBondContact O-OH 3.17Å; A19-G31 WeakPolarHBondContact O-CA 3.44Å; A19-N146 HydrophobicContact CB-CB 4.05Å; A19-V153 HydrophobicContact CB-CB 4.49Å; A19-V153 HydrophobicContact CB-CG1 3.92Å
20	R	34.2	Very low	43.6	Very low	176 Å²	176	71.8 Å²	71.8	66%	0.664	41%	0.413	S	S	*	.			trans	-114.9	113.1	179.3	177.1	154.7	-170.6	-167.8	3.1	109.7	Y29	R20-Y29 VanDerWaalsContact CA-CE2 3.49Å; R20-Y29 HydrophobicContact CB-CD2 4.21Å; R20-Y29 HydrophobicContact CB-CE2 3.56Å; R20-Y29 HydrophobicContact CG-CD2 3.62Å; R20-Y29 HydrophobicContact CG-CE2 3.48Å; R20-Y29 VanDerWaalsContact CG-CE2 3.48Å
21	F	43.6	Very low	46.3	Very low	20 Å²	20	63.8 Å²	63.8	9%	0.088	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-111.8	123.6	171.5	-66.5	-93.7	0	0	0	109	A19 Y29 V30 V144 V155	A19-F21 HydrophobicContact CB-CD2 4.25Å; A19-F21 HydrophobicContact CB-CE2 3.55Å; A19-F21 HydrophobicContact CB-CZ 4.47Å; F21-Y29 VanDerWaalsContact O-CA 3.23Å; F21-Y29 WeakPolarHBondContact O-CA 3.5Å; F21-V30 HydrophobicContact CB-CB 4.25Å; F21-V30 WeakPolarHBondContact CB-O 3.42Å; F21-V30 WeakPolarHBondContact CD2-O 3.41Å; F21-V30 PolarHBondContact N-O 3.46Å; F21-V30 PolarHBondContact O-N 3.19Å; F21-V30 VanDerWaalsContact O-N 3.08Å; F21-V144 HydrophobicContact CD1-CB 3.91Å; F21-V144 HydrophobicContact CD1-CG2 3.92Å; F21-V144 HydrophobicContact CE1-CB 3.36Å; F21-V144 HydrophobicContact CE1-CG1 4.41Å; F21-V144 HydrophobicContact CE1-CG2 3.82Å; F21-V144 HydrophobicContact CZ-CB 3.88Å; F21-V144 WeakPolarHBondContact CZ-O 3.29Å; F21-V155 HydrophobicContact CD1-CB 4.04Å; F21-V155 HydrophobicContact CD2-CB 3.57Å; F21-V155 HydrophobicContact CD2-CG1 4.31Å; F21-V155 HydrophobicContact CD2-CG2 3.67Å; F21-V155 HydrophobicContact CE1-CB 3.73Å; F21-V155 WeakPolarHBondContact CE1-O 3.44Å; F21-V155 HydrophobicContact CE2-CB 3.27Å; F21-V155 HydrophobicContact CE2-CG1 4.43Å; F21-V155 HydrophobicContact CE2-CG2 3.29Å; F21-V155 HydrophobicContact CG-CB 3.97Å; F21-V155 HydrophobicContact CG-CG1 4.4Å; F21-V155 HydrophobicContact CZ-CB 3.38Å; F21-V155 HydrophobicContact CZ-CG2 3.87Å; F21-V155 WeakPolarHBondContact CZ-O 3.48Å
22	V	36.9	Very low	49.1	Very low	92 Å²	92	57.2 Å²	57.2	56%	0.558	34%	0.337	S	S	*	.			trans	-92.9	102.4	165.9	-178.6	0	0	0	0	105.8
23	A	39.8	Very low	51.7	Low	12 Å²	12	56.1 Å²	56.1	10%	0.099	31%	0.314	C	S	.	.			trans	-78.6	135.8	172.9	0	0	0	0	0	109.1	N25 T27	A23-N25 PolarHBondContact O-N 2.78Å; A23-T27 WeakPolarHBondContact CB-OG1 3.08Å
24	I	41.9	Very low	54.3	Low	146 Å²	146	51.4 Å²	51.4	75%	0.749	28%	0.281	S	S	*	.	S	Bend	trans	-83.6	107.3	175.1	-52.8	170.3	0	0	0	105.3
25	N	49.7	Very low	56.9	Low	120 Å²	120	50 Å²	50	64%	0.642	27%	0.271	S	S	*	.	S	Bend	trans	90.2	123.2	178.5	-56.5	-24.1	0	0	0	117.7	A23 T27	A23-N25 PolarHBondContact O-N 2.78Å; N25-T27 PolarHBondContact O-N 2.96Å; N25-T27 VanDerWaalsContact O-N 3.15Å
26	A	57.9	Low	59.4	Low	42 Å²	42	50.2 Å²	50.2	35%	0.347	27%	0.27	S	S	.	.	S	Bend	trans	68.4	-47.7	-175.8	0	0	0	0	0	118	F45 Y46 L107	A26-F45 WeakPolarHBondContact O-CD1 3.11Å; A26-Y46 PolarHBondContact O-N 3.22Å; A26-L107 HydrophobicContact CB-CD1 4.2Å; A26-L107 HydrophobicContact CB-CD2 4.15Å
27	T	57.4	Low	61.9	Low	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.9	178.4	33.6	0	0	0	0	111.1	A23 N25 V30 F43 Q44 F45 Y119	A23-T27 WeakPolarHBondContact CB-OG1 3.08Å; N25-T27 PolarHBondContact O-N 2.96Å; N25-T27 VanDerWaalsContact O-N 3.15Å; T27-V30 HydrophobicContact CG2-CG2 4.39Å; T27-F43 HydrophobicContact CG2-CD1 3.92Å; T27-F43 HydrophobicContact CG2-CE1 4.39Å; T27-Q44 CarbonylContact C-O 3.47Å; T27-F45 HydrophobicContact CG2-CD1 3.54Å; T27-F45 HydrophobicContact CG2-CD2 4.26Å; T27-F45 HydrophobicContact CG2-CE1 3.17Å; T27-F45 HydrophobicContact CG2-CE2 3.9Å; T27-F45 HydrophobicContact CG2-CG 4.09Å; T27-F45 HydrophobicContact CG2-CZ 3.37Å; T27-Y119 PolarHBondContact OG1-OH 2.92Å
28	A	64.6	Low	64.5	Low	17 Å²	17	49 Å²	49	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-34.2	175.9	0	0	0	0	0	112	Q44 Y46	A28-Q44 WeakPolarHBondContact CA-O 3.49Å; A28-Q44 HydrophobicContact CB-CG 4.39Å; A28-Q44 PolarHBondContact N-O 3.2Å; A28-Y46 HydrophobicContact CB-CD1 3.87Å; A28-Y46 HydrophobicContact CB-CD2 3.97Å; A28-Y46 HydrophobicContact CB-CE1 3.69Å; A28-Y46 HydrophobicContact CB-CE2 3.8Å; A28-Y46 HydrophobicContact CB-CG 4Å
29	Y	79.7	Confident	67.2	Low	26 Å²	26	43.8 Å²	43.8	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	135	-177.4	169.2	-81.1	0	0	0	112.4	A19 R20 F21 K42 F43 Q44	A19-Y29 PolarHBondContact O-OH 3.17Å; R20-Y29 VanDerWaalsContact CA-CE2 3.49Å; R20-Y29 HydrophobicContact CB-CD2 4.21Å; R20-Y29 HydrophobicContact CB-CE2 3.56Å; R20-Y29 HydrophobicContact CG-CD2 3.62Å; R20-Y29 HydrophobicContact CG-CE2 3.48Å; R20-Y29 VanDerWaalsContact CG-CE2 3.48Å; F21-Y29 VanDerWaalsContact O-CA 3.23Å; F21-Y29 WeakPolarHBondContact O-CA 3.5Å; Y29-K42 HydrophobicContact CE1-CB 4.4Å; Y29-K42 HydrophobicContact CE1-CD 3.98Å; Y29-K42 HydrophobicContact CE1-CG 4.13Å; Y29-F43 CarbonylContact O-C 3.52Å; Y29-F43 WeakPolarHBondContact O-CA 3.28Å; Y29-Q44 HydrophobicContact CD1-CB 4.47Å; Y29-Q44 PolarHBondContact N-O 2.9Å; Y29-Q44 PolarHBondContact O-N 3.13Å
30	V	82.3	Confident	69.8	Low	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.9	165.1	-173.9	0	0	0	0	108.2	F21 T27 K42 F43 Y119 F121 V155	F21-V30 HydrophobicContact CB-CB 4.25Å; F21-V30 WeakPolarHBondContact CB-O 3.42Å; F21-V30 WeakPolarHBondContact CD2-O 3.41Å; F21-V30 PolarHBondContact N-O 3.46Å; F21-V30 PolarHBondContact O-N 3.19Å; F21-V30 VanDerWaalsContact O-N 3.08Å; T27-V30 HydrophobicContact CG2-CG2 4.39Å; V30-K42 CarbonylContact C-O 3.59Å; V30-K42 WeakPolarHBondContact CA-O 3.45Å; V30-F43 HydrophobicContact CB-CE1 4.44Å; V30-F43 HydrophobicContact CG1-CD1 4.4Å; V30-F43 HydrophobicContact CG1-CD2 4.24Å; V30-F43 HydrophobicContact CG1-CE1 3.99Å; V30-F43 HydrophobicContact CG1-CE2 3.85Å; V30-F43 HydrophobicContact CG1-CZ 3.71Å; V30-F43 HydrophobicContact CG2-CD1 3.63Å; V30-F43 HydrophobicContact CG2-CE1 3.54Å; V30-F43 HydrophobicContact CG2-CG 4.28Å; V30-F43 HydrophobicContact CG2-CZ 4.15Å; V30-Y119 HydrophobicContact CG2-CD1 4.46Å; V30-Y119 HydrophobicContact CG2-CE1 3.81Å; V30-F121 HydrophobicContact CG1-CE1 4Å; V30-F121 HydrophobicContact CG1-CZ 4.1Å; V30-V155 HydrophobicContact CG1-CG1 4.21Å
31	G	83.7	Confident	72.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.1	174.4	0	0	0	0	0	110.5	A19 A41 K42	A19-G31 WeakPolarHBondContact O-CA 3.44Å; G31-A41 CarbonylContact O-C 3.55Å; G31-A41 WeakPolarHBondContact O-CA 3.18Å; G31-K42 PolarHBondContact N-O 2.71Å; G31-K42 PolarHBondContact O-N 2.86Å
32	I	87	Confident	74.7	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.9	176.8	72.3	178.1	0	0	0	110.6	I39 T40 A41 F121 V153 V155	I32-I39 HydrophobicContact CB-CG2 3.7Å; I32-I39 HydrophobicContact CD1-CG2 3.96Å; I32-I39 HydrophobicContact CG1-CG2 4.25Å; I32-I39 HydrophobicContact CG2-CG2 4.08Å; I32-T40 CarbonylContact C-O 3.52Å; I32-T40 WeakPolarHBondContact CA-O 3.47Å; I32-A41 HydrophobicContact CG2-CB 3.98Å; I32-F121 HydrophobicContact CD1-CB 3.7Å; I32-F121 HydrophobicContact CD1-CD1 4.32Å; I32-F121 HydrophobicContact CD1-CG 4.04Å; I32-F121 HydrophobicContact CG2-CD1 3.75Å; I32-F121 HydrophobicContact CG2-CD2 3.7Å; I32-F121 HydrophobicContact CG2-CE1 3.74Å; I32-F121 HydrophobicContact CG2-CE2 3.67Å; I32-F121 HydrophobicContact CG2-CG 3.74Å; I32-F121 HydrophobicContact CG2-CZ 3.69Å; I32-V153 HydrophobicContact CD1-CG1 3.61Å; I32-V153 HydrophobicContact CG1-CG1 3.15Å; I32-V155 HydrophobicContact CD1-CG2 3.98Å; I32-V155 HydrophobicContact CG1-CG2 4.02Å; I32-V155 HydrophobicContact CG2-CG2 3.9Å
33	Q	84	Confident	77.2	Confident	45 Å²	45	35.4 Å²	35.4	21%	0.21	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144	172.1	177.2	-174.9	-17.7	0	0	108	I39 T40	Q33-I39 CarbonylContact O-C 3.6Å; Q33-I39 WeakPolarHBondContact O-CA 3.31Å; Q33-T40 PolarHBondContact N-O 3.3Å; Q33-T40 PolarHBondContact O-N 2.71Å
34	C	85.5	Confident	79.6	Confident	9 Å²	9	37.7 Å²	37.7	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.7	-174.2	-43.4	0	0	0	0	110	C123	C34-C123 HydrophobicContact CB-CB 3.56Å; C34-C123 WeakPolarHBondContact CB-SG 3.1Å; C34-C123 WeakPolarHBondContact SG-CB 3.42Å; C34-C123 CovalentContact SG-SG 1.99Å; C34-C123 PolarHBondContact SG-SG 3.37Å
35	S	85.7	Confident	81.7	Confident	32 Å²	32	31.1 Å²	31.1	22%	0.224	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	175	172.9	76.5	0	0	0	0	109.7	N37 G38 L99	S35-N37 PolarHBondContact O-N 3.24Å; S35-N37 PolarHBondContact OG-N 2.93Å; S35-G38 PolarHBondContact N-O 3.38Å; S35-G38 PolarHBondContact O-N 3.2Å; S35-G38 PolarHBondContact OG-N 3.28Å; S35-G38 PolarHBondContact OG-O 3.44Å; S35-L99 WeakPolarHBondContact O-CD1 3.02Å
36	V	86.5	Confident	83.3	Confident	77 Å²	77	31.8 Å²	31.8	47%	0.467	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.5	173.2	68.2	0	0	0	0	113	S81 I96	V36-S81 PolarHBondContact O-OG 2.85Å; V36-S81 VanDerWaalsContact O-OG 3.13Å; V36-I96 HydrophobicContact CG2-CD1 4.19Å; V36-I96 HydrophobicContact CG2-CG1 4.5Å; V36-I96 VanDerWaalsContact O-CD1 3.31Å; V36-I96 WeakPolarHBondContact O-CD1 3.23Å
37	N	89.1	Confident	84.6	Confident	102 Å²	102	35.6 Å²	35.6	55%	0.545	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-20.6	-177.8	-63.1	-25.3	0	0	0	112.9	S35 E78 S81	S35-N37 PolarHBondContact O-N 3.24Å; S35-N37 PolarHBondContact OG-N 2.93Å; N37-E78 WeakPolarHBondContact CB-OE1 3.33Å; N37-S81 WeakPolarHBondContact O-CB 3.42Å; N37-S81 PolarHBondContact O-N 2.79Å; N37-S81 PolarHBondContact O-OG 2.99Å
38	G	91.5	Very high	86.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-160.8	-174.9	0	0	0	0	0	114.9	S35 V79	S35-G38 PolarHBondContact N-O 3.38Å; S35-G38 PolarHBondContact O-N 3.2Å; S35-G38 PolarHBondContact OG-N 3.28Å; S35-G38 PolarHBondContact OG-O 3.44Å; G38-V79 CarbonylContact C-O 3.56Å; G38-V79 WeakPolarHBondContact CA-O 2.92Å
39	I	91.8	Very high	87.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.6	179.2	-51.5	177.6	0	0	0	108.4	I32 Q33 V79 L99 N101 F121	I32-I39 HydrophobicContact CB-CG2 3.7Å; I32-I39 HydrophobicContact CD1-CG2 3.96Å; I32-I39 HydrophobicContact CG1-CG2 4.25Å; I32-I39 HydrophobicContact CG2-CG2 4.08Å; Q33-I39 CarbonylContact O-C 3.6Å; Q33-I39 WeakPolarHBondContact O-CA 3.31Å; I39-V79 HydrophobicContact CB-CB 4.18Å; I39-V79 PolarHBondContact N-O 2.79Å; I39-V79 PolarHBondContact O-N 2.98Å; I39-L99 HydrophobicContact CD1-CB 4.17Å; I39-L99 HydrophobicContact CG1-CB 4.16Å; I39-L99 HydrophobicContact CG1-CD1 4.49Å; I39-N101 HydrophobicContact CD1-CB 4.3Å; I39-F121 HydrophobicContact CD1-CB 3.82Å; I39-F121 HydrophobicContact CG2-CB 4.33Å; I39-F121 HydrophobicContact CG2-CD2 4.05Å
40	T	92.3	Very high	87.6	Confident	39 Å²	39	39.9 Å²	39.9	24%	0.239	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.2	167.2	-60.6	0	0	0	0	108.9	I32 Q33 L76 F77	I32-T40 CarbonylContact C-O 3.52Å; I32-T40 WeakPolarHBondContact CA-O 3.47Å; Q33-T40 PolarHBondContact N-O 3.3Å; Q33-T40 PolarHBondContact O-N 2.71Å; T40-L76 HydrophobicContact CG2-CD1 3.66Å; T40-L76 HydrophobicContact CG2-CG 4.24Å; T40-F77 CarbonylContact C-O 3.53Å; T40-F77 WeakPolarHBondContact CA-O 3.22Å
41	A	91.2	Very high	88	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.4	-179.9	0	0	0	0	0	111.3	G31 I32 F43 L76 F77 F121	G31-A41 CarbonylContact O-C 3.55Å; G31-A41 WeakPolarHBondContact O-CA 3.18Å; I32-A41 HydrophobicContact CG2-CB 3.98Å; A41-F43 HydrophobicContact CB-CE2 4.29Å; A41-L76 WeakPolarHBondContact O-CA 3.48Å; A41-F77 HydrophobicContact CB-CD1 4.48Å; A41-F77 HydrophobicContact CB-CD2 4.1Å; A41-F77 HydrophobicContact CB-CE1 4.07Å; A41-F77 HydrophobicContact CB-CE2 3.64Å; A41-F77 HydrophobicContact CB-CZ 3.63Å; A41-F77 PolarHBondContact N-O 2.83Å; A41-F77 PolarHBondContact O-N 2.79Å; A41-F121 HydrophobicContact CB-CD2 4.28Å; A41-F121 HydrophobicContact CB-CE2 3.41Å; A41-F121 VanDerWaalsContact CB-CE2 3.41Å; A41-F121 HydrophobicContact CB-CZ 3.99Å
42	K	90.6	Very high	88.5	Confident	72 Å²	72	42.5 Å²	42.5	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.4	176.1	-178.5	178.8	175	-175	0	109.3	Y29 V30 G31 M75 L76	Y29-K42 HydrophobicContact CE1-CB 4.4Å; Y29-K42 HydrophobicContact CE1-CD 3.98Å; Y29-K42 HydrophobicContact CE1-CG 4.13Å; V30-K42 CarbonylContact C-O 3.59Å; V30-K42 WeakPolarHBondContact CA-O 3.45Å; G31-K42 PolarHBondContact N-O 2.71Å; G31-K42 PolarHBondContact O-N 2.86Å; K42-M75 VanDerWaalsContact CA-O 3.32Å; K42-M75 WeakPolarHBondContact CA-O 3.39Å; K42-L76 HydrophobicContact CB-CD1 4.08Å
43	F	89.4	Confident	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.8	170.8	-77.8	-112.1	0	0	0	110.1	T27 Y29 V30 A41 F45 R74 M75 F77 I103 V105 Y119 F121	T27-F43 HydrophobicContact CG2-CD1 3.92Å; T27-F43 HydrophobicContact CG2-CE1 4.39Å; Y29-F43 CarbonylContact O-C 3.52Å; Y29-F43 WeakPolarHBondContact O-CA 3.28Å; V30-F43 HydrophobicContact CB-CE1 4.44Å; V30-F43 HydrophobicContact CG1-CD1 4.4Å; V30-F43 HydrophobicContact CG1-CD2 4.24Å; V30-F43 HydrophobicContact CG1-CE1 3.99Å; V30-F43 HydrophobicContact CG1-CE2 3.85Å; V30-F43 HydrophobicContact CG1-CZ 3.71Å; V30-F43 HydrophobicContact CG2-CD1 3.63Å; V30-F43 HydrophobicContact CG2-CE1 3.54Å; V30-F43 HydrophobicContact CG2-CG 4.28Å; V30-F43 HydrophobicContact CG2-CZ 4.15Å; A41-F43 HydrophobicContact CB-CE2 4.29Å; F43-F45 HydrophobicContact CB-CD2 4.25Å; F43-F45 HydrophobicContact CB-CE2 3.66Å; F43-F45 AromaticContact CD1-CE2 3.86Å; F43-F45 HydrophobicContact CD1-CE2 3.86Å; F43-F45 AromaticContact CD1-CZ 3.97Å; F43-F45 HydrophobicContact CD1-CZ 3.97Å; F43-F45 HydrophobicContact CG-CE2 4.17Å; F43-R74 CarbonylContact O-C 3.51Å; F43-R74 WeakPolarHBondContact O-CA 3.43Å; F43-M75 HydrophobicContact CB-CE 4.47Å; F43-M75 PolarHBondContact N-O 2.86Å; F43-M75 PolarHBondContact O-N 2.69Å; F43-F77 AromaticContact CD2-CE1 3.48Å; F43-F77 HydrophobicContact CD2-CE1 3.48Å; F43-F77 VanDerWaalsContact CD2-CE1 3.48Å; F43-F77 AromaticContact CD2-CZ 3.88Å; F43-F77 HydrophobicContact CD2-CZ 3.88Å; F43-F77 AromaticContact CE2-CE1 3.66Å; F43-F77 HydrophobicContact CE2-CE1 3.66Å; F43-F77 AromaticContact CE2-CZ 3.53Å; F43-F77 HydrophobicContact CE2-CZ 3.53Å; F43-F77 HydrophobicContact CG-CE1 4.48Å; F43-I103 HydrophobicContact CZ-CG2 4.45Å; F43-V105 HydrophobicContact CD1-CG2 4.5Å; F43-V105 HydrophobicContact CE1-CG2 3.74Å; F43-V105 HydrophobicContact CZ-CG2 4.12Å; F43-Y119 AromaticContact CE1-CD2 3.9Å; F43-Y119 HydrophobicContact CE1-CD2 3.9Å; F43-Y119 AromaticContact CE1-CE2 3.61Å; F43-Y119 HydrophobicContact CE1-CE2 3.61Å; F43-Y119 HydrophobicContact CE1-CG 4.5Å; F43-Y119 AromaticContact CE1-CZ 3.97Å; F43-Y119 AromaticContact CZ-CD2 3.91Å; F43-Y119 HydrophobicContact CZ-CD2 3.91Å; F43-Y119 HydrophobicContact CZ-CE2 4.12Å; F43-Y119 HydrophobicContact CZ-CG 4.27Å; F43-F121 HydrophobicContact CE2-CE2 4.29Å; F43-F121 AromaticContact CE2-CZ 3.61Å; F43-F121 HydrophobicContact CE2-CZ 3.61Å; F43-F121 HydrophobicContact CZ-CE1 4.47Å; F43-F121 AromaticContact CZ-CZ 3.76Å; F43-F121 HydrophobicContact CZ-CZ 3.76Å
44	Q	89	Confident	89.5	Confident	60 Å²	60	40.3 Å²	40.3	28%	0.28	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.7	166.8	174.1	179.9	-4.5	0	0	108.6	T27 A28 Y29 Q73 R74	T27-Q44 CarbonylContact C-O 3.47Å; A28-Q44 WeakPolarHBondContact CA-O 3.49Å; A28-Q44 HydrophobicContact CB-CG 4.39Å; A28-Q44 PolarHBondContact N-O 3.2Å; Y29-Q44 HydrophobicContact CD1-CB 4.47Å; Y29-Q44 PolarHBondContact N-O 2.9Å; Y29-Q44 PolarHBondContact O-N 3.13Å; Q44-Q73 CarbonylContact C-O 3.5Å; Q44-Q73 VanDerWaalsContact CA-O 3.23Å; Q44-Q73 WeakPolarHBondContact CA-O 3.05Å; Q44-R74 HydrophobicContact CB-CG 4.27Å; Q44-R74 HydrophobicContact CG-CG 4.06Å
45	F	86.2	Confident	90.1	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	156.8	179.8	-69.2	-103.4	0	0	0	110.1	A26 T27 F43 N47 F49 I53 Q73 M75 V105 L107	A26-F45 WeakPolarHBondContact O-CD1 3.11Å; T27-F45 HydrophobicContact CG2-CD1 3.54Å; T27-F45 HydrophobicContact CG2-CD2 4.26Å; T27-F45 HydrophobicContact CG2-CE1 3.17Å; T27-F45 HydrophobicContact CG2-CE2 3.9Å; T27-F45 HydrophobicContact CG2-CG 4.09Å; T27-F45 HydrophobicContact CG2-CZ 3.37Å; F43-F45 HydrophobicContact CB-CD2 4.25Å; F43-F45 HydrophobicContact CB-CE2 3.66Å; F43-F45 AromaticContact CD1-CE2 3.86Å; F43-F45 HydrophobicContact CD1-CE2 3.86Å; F43-F45 AromaticContact CD1-CZ 3.97Å; F43-F45 HydrophobicContact CD1-CZ 3.97Å; F43-F45 HydrophobicContact CG-CE2 4.17Å; F45-N47 VanDerWaalsContact CB-O 3.23Å; F45-N47 WeakPolarHBondContact CB-O 3.43Å; F45-F49 AromaticContact CD1-CD2 3.88Å; F45-F49 HydrophobicContact CD1-CD2 3.88Å; F45-F49 HydrophobicContact CD2-CB 4.16Å; F45-F49 HydrophobicContact CD2-CD2 4.4Å; F45-F49 HydrophobicContact CD2-CG 4.43Å; F45-F49 AromaticContact CE1-CD2 3.43Å; F45-F49 HydrophobicContact CE1-CD2 3.43Å; F45-F49 VanDerWaalsContact CE1-CD2 3.43Å; F45-F49 AromaticContact CE1-CE2 3.8Å; F45-F49 HydrophobicContact CE1-CE2 3.8Å; F45-F49 HydrophobicContact CE1-CG 4.32Å; F45-F49 HydrophobicContact CE2-CB 4.42Å; F45-F49 HydrophobicContact CE2-CD2 4.06Å; F45-F49 HydrophobicContact CE2-CG 4.21Å; F45-F49 HydrophobicContact CG-CB 4.25Å; F45-F49 HydrophobicContact CG-CD2 4.34Å; F45-F49 AromaticContact CZ-CD2 3.54Å; F45-F49 HydrophobicContact CZ-CD2 3.54Å; F45-F49 AromaticContact CZ-CE2 3.78Å; F45-F49 HydrophobicContact CZ-CE2 3.78Å; F45-F49 HydrophobicContact CZ-CG 4.14Å; F45-I53 HydrophobicContact CE2-CD1 4.35Å; F45-I53 HydrophobicContact CZ-CD1 4.4Å; F45-Q73 PolarHBondContact N-O 3.32Å; F45-M75 HydrophobicContact CD2-CE 3.29Å; F45-M75 HydrophobicContact CE2-CE 3.08Å; F45-M75 HydrophobicContact CG-CE 4.47Å; F45-M75 HydrophobicContact CZ-CE 4.11Å; F45-V105 HydrophobicContact CE1-CG1 4.12Å; F45-V105 HydrophobicContact CZ-CG1 3.84Å; F45-L107 HydrophobicContact CE1-CD2 4.29Å
46	Y	84	Confident	90.5	Very high	134 Å²	134	38.9 Å²	38.9	53%	0.525	20%	0.197	S	C	.	.	S	Bend	trans	-69.6	-40.6	174.3	-71.7	-73.9	0	0	0	111.6	A26 A28 Q73	A26-Y46 PolarHBondContact O-N 3.22Å; A28-Y46 HydrophobicContact CB-CD1 3.87Å; A28-Y46 HydrophobicContact CB-CD2 3.97Å; A28-Y46 HydrophobicContact CB-CE1 3.69Å; A28-Y46 HydrophobicContact CB-CE2 3.8Å; A28-Y46 HydrophobicContact CB-CG 4Å; Y46-Q73 PolarHBondContact O-NE2 2.79Å
47	N	85.5	Confident	90.8	Very high	122 Å²	122	41.7 Å²	41.7	65%	0.652	21%	0.21	S	C	*	.	S	Bend	trans	-111.8	160.1	178.6	-65.8	-38	0	0	0	110.2	F45 F49	F45-N47 VanDerWaalsContact CB-O 3.23Å; F45-N47 WeakPolarHBondContact CB-O 3.43Å; N47-F49 PolarHBondContact O-N 3.31Å
48	P	88.9	Confident	91.1	Very high	57 Å²	57	39.9 Å²	39.9	37%	0.37	20%	0.197	S	C	.	.			trans	-50.6	126.1	170.5	-26.1	35.6	0	0	0	111	Q73	P48-Q73 HydrophobicContact CB-CG 4.47Å; P48-Q73 HydrophobicContact CG-CG 4.23Å
49	F	88.5	Confident	91.2	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	21%	0.208	C	C	.	.			trans	-73.1	134.6	-178.5	-179.1	-111.6	0	0	0	110.2	F45 N47 G51 I53 Y67 G71 E72 M75 V105 Q106 L107	F45-F49 AromaticContact CD1-CD2 3.88Å; F45-F49 HydrophobicContact CD1-CD2 3.88Å; F45-F49 HydrophobicContact CD2-CB 4.16Å; F45-F49 HydrophobicContact CD2-CD2 4.4Å; F45-F49 HydrophobicContact CD2-CG 4.43Å; F45-F49 AromaticContact CE1-CD2 3.43Å; F45-F49 HydrophobicContact CE1-CD2 3.43Å; F45-F49 VanDerWaalsContact CE1-CD2 3.43Å; F45-F49 AromaticContact CE1-CE2 3.8Å; F45-F49 HydrophobicContact CE1-CE2 3.8Å; F45-F49 HydrophobicContact CE1-CG 4.32Å; F45-F49 HydrophobicContact CE2-CB 4.42Å; F45-F49 HydrophobicContact CE2-CD2 4.06Å; F45-F49 HydrophobicContact CE2-CG 4.21Å; F45-F49 HydrophobicContact CG-CB 4.25Å; F45-F49 HydrophobicContact CG-CD2 4.34Å; F45-F49 AromaticContact CZ-CD2 3.54Å; F45-F49 HydrophobicContact CZ-CD2 3.54Å; F45-F49 AromaticContact CZ-CE2 3.78Å; F45-F49 HydrophobicContact CZ-CE2 3.78Å; F45-F49 HydrophobicContact CZ-CG 4.14Å; N47-F49 PolarHBondContact O-N 3.31Å; F49-G51 WeakPolarHBondContact CE1-O 3.11Å; F49-I53 HydrophobicContact CD1-CD1 4.43Å; F49-I53 HydrophobicContact CE1-CD1 3.97Å; F49-I53 HydrophobicContact CE1-CG1 3.61Å; F49-I53 HydrophobicContact CZ-CD1 4.2Å; F49-I53 HydrophobicContact CZ-CG1 3.68Å; F49-Y67 AromaticContact CD1-CD1 3.46Å; F49-Y67 HydrophobicContact CD1-CD1 3.46Å; F49-Y67 VanDerWaalsContact CD1-CD1 3.46Å; F49-Y67 AromaticContact CD1-CE1 3.46Å; F49-Y67 HydrophobicContact CD1-CE1 3.46Å; F49-Y67 VanDerWaalsContact CD1-CE1 3.46Å; F49-Y67 HydrophobicContact CD1-CG 4.43Å; F49-Y67 AromaticContact CE1-CD1 3.58Å; F49-Y67 HydrophobicContact CE1-CD1 3.58Å; F49-Y67 HydrophobicContact CE1-CE1 4.04Å; F49-Y67 HydrophobicContact CE1-CG 4.49Å; F49-G71 PolarHBondContact O-N 2.9Å; F49-E72 WeakPolarHBondContact CB-O 3.19Å; F49-E72 PolarHBondContact N-O 3.06Å; F49-M75 HydrophobicContact CB-CE 3.61Å; F49-M75 HydrophobicContact CD1-CE 3.72Å; F49-M75 HydrophobicContact CD1-SD 3.78Å; F49-M75 HydrophobicContact CE1-SD 4.37Å; F49-M75 HydrophobicContact CG-CE 3.72Å; F49-M75 HydrophobicContact CG-SD 4.39Å; F49-V105 HydrophobicContact CE2-CG1 3.71Å; F49-V105 HydrophobicContact CZ-CG1 3.98Å; F49-Q106 WeakPolarHBondContact CZ-O 3.34Å; F49-L107 HydrophobicContact CE2-CD2 4.12Å
50	N	87	Confident	91.2	Very high	70 Å²	70	49.9 Å²	49.9	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	73.6	178.9	-175.8	27.5	0	0	0	110.7	Y70	N50-Y70 HydrophobicContact CB-CD2 3.71Å; N50-Y70 HydrophobicContact CB-CE2 4.11Å
51	G	91.6	Very high	91.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-154.3	-175.8	0	0	0	0	0	112	F49 Q106	F49-G51 WeakPolarHBondContact CE1-O 3.11Å; G51-Q106 VanDerWaalsContact CA-O 3.29Å; G51-Q106 WeakPolarHBondContact CA-O 3.33Å
52	R	94.2	Very high	91.5	Very high	54 Å²	54	61.4 Å²	61.4	20%	0.204	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.9	-176.9	-60.6	-174.1	-66.9	-164.9	-5.3	111.5	Y54 Y67 D68 Q106 K109	R52-Y54 HydrophobicContact CB-CD1 3.96Å; R52-Y54 HydrophobicContact CB-CE1 4.13Å; R52-Y67 CarbonylContact C-O 3.52Å; R52-Y67 VanDerWaalsContact CA-O 3.27Å; R52-Y67 WeakPolarHBondContact CA-O 3.18Å; R52-D68 HydrophobicContact CG-CB 4.37Å; R52-D68 WeakPolarHBondContact CG-OD1 3.41Å; R52-Q106 HydrophobicContact CB-CB 4.32Å; R52-Q106 PolarHBondContact N-O 2.83Å; R52-Q106 PolarHBondContact O-N 2.85Å; R52-K109 HydrophobicContact CG-CG 4.5Å; R52-K109 VanDerWaalsContact CZ-O 3.3Å; R52-K109 PolarHBondContact NE-O 3.29Å; R52-K109 PolarHBondContact NH2-O 2.97Å
53	I	95	Very high	91.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.4	171.3	-53.5	-177.2	0	0	0	107.9	F45 F49 M65 Y66 Y67 M75 F77 I103 Y104 V105	F45-I53 HydrophobicContact CE2-CD1 4.35Å; F45-I53 HydrophobicContact CZ-CD1 4.4Å; F49-I53 HydrophobicContact CD1-CD1 4.43Å; F49-I53 HydrophobicContact CE1-CD1 3.97Å; F49-I53 HydrophobicContact CE1-CG1 3.61Å; F49-I53 HydrophobicContact CZ-CD1 4.2Å; F49-I53 HydrophobicContact CZ-CG1 3.68Å; I53-M65 CarbonylContact O-C 3.59Å; I53-Y66 HydrophobicContact CG2-CD2 4.31Å; I53-Y66 PolarHBondContact O-N 3.12Å; I53-Y67 PolarHBondContact N-O 2.79Å; I53-Y67 PolarHBondContact O-N 3.23Å; I53-M75 HydrophobicContact CD1-CE 3.94Å; I53-M75 HydrophobicContact CD1-SD 3.46Å; I53-M75 WeakPolarHBondContact CD1-SD 3.01Å; I53-M75 HydrophobicContact CG1-SD 4.5Å; I53-F77 HydrophobicContact CD1-CE1 4.46Å; I53-F77 HydrophobicContact CG2-CE1 3.94Å; I53-F77 HydrophobicContact CG2-CE2 4.5Å; I53-F77 HydrophobicContact CG2-CZ 3.74Å; I53-I103 HydrophobicContact CG2-CG2 3.63Å; I53-Y104 WeakPolarHBondContact CA-O 3.36Å; I53-V105 HydrophobicContact CG1-CG1 4.41Å; I53-V105 HydrophobicContact CG1-CG2 4.3Å; I53-V105 HydrophobicContact CG2-CG2 4.3Å
54	Y	96.3	Very high	92.1	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.8	-176.8	55.5	-94.9	0	0	0	111.3	R52 Q59 C64 Y104 Q106 K112	R52-Y54 HydrophobicContact CB-CD1 3.96Å; R52-Y54 HydrophobicContact CB-CE1 4.13Å; Y54-Q59 HydrophobicContact CD1-CB 4.42Å; Y54-Q59 HydrophobicContact CD2-CB 3.9Å; Y54-Q59 HydrophobicContact CE1-CB 4.07Å; Y54-Q59 HydrophobicContact CE2-CB 3.54Å; Y54-Q59 HydrophobicContact CG-CB 4.35Å; Y54-C64 CarbonylContact C-O 3.49Å; Y54-C64 WeakPolarHBondContact CA-O 3.35Å; Y54-C64 VanDerWaalsContact CB-O 3.27Å; Y54-C64 WeakPolarHBondContact CB-O 3.17Å; Y54-Y104 AromaticContact CE1-CD1 3.99Å; Y54-Y104 HydrophobicContact CE1-CD1 3.99Å; Y54-Y104 VanDerWaalsContact CE2-CB 3.49Å; Y54-Y104 HydrophobicContact CE2-CD1 4.1Å; Y54-Y104 AromaticContact CE2-CG 3.92Å; Y54-Y104 HydrophobicContact CE2-CG 3.92Å; Y54-Y104 AromaticContact CZ-CD1 3.46Å; Y54-Y104 VanDerWaalsContact CZ-CD1 3.46Å; Y54-Y104 AromaticContact CZ-CG 3.78Å; Y54-Y104 PolarHBondContact N-O 3.5Å; Y54-Y104 VanDerWaalsContact N-O 3.11Å; Y54-Y104 PolarHBondContact O-N 2.87Å; Y54-Y104 WeakPolarHBondContact OH-CD1 3.29Å; Y54-Y104 WeakPolarHBondContact OH-CE1 3.03Å; Y54-Q106 HydrophobicContact CE1-CB 4.32Å; Y54-K112 WeakPolarHBondContact OH-CE 3.41Å
55	S	97.1	Very high	92.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.7	171.3	-73.9	0	0	0	0	110.8	N57 F58 C64 Y66 C84 N101 E102	S55-N57 PolarHBondContact O-N 3.48Å; S55-F58 WeakPolarHBondContact O-CA 3.31Å; S55-F58 WeakPolarHBondContact O-CB 3.07Å; S55-F58 PolarHBondContact O-N 3.35Å; S55-C64 PolarHBondContact N-O 3.37Å; S55-Y66 WeakPolarHBondContact OG-CE2 3.32Å; S55-Y66 PolarHBondContact OG-OH 3.1Å; S55-C84 WeakPolarHBondContact CB-O 3.32Å; S55-C84 PolarHBondContact OG-O 2.88Å; S55-N101 PolarHBondContact OG-OD1 3.22Å; S55-E102 CarbonylContact C-O 3.52Å; S55-E102 WeakPolarHBondContact CA-O 2.98Å
56	A	94	Very high	92.9	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	133.9	-175.2	0	0	0	0	0	111.8	F58 E102	A56-F58 VanDerWaalsContact C-N 3.26Å; A56-F58 VanDerWaalsContact O-CD2 3.24Å; A56-F58 WeakPolarHBondContact O-CD2 3.42Å; A56-F58 PolarHBondContact O-N 3.22Å; A56-E102 HydrophobicContact CB-CB 3.87Å; A56-E102 HydrophobicContact CB-CG 3.65Å; A56-E102 PolarHBondContact N-O 2.78Å
57	N	93.7	Very high	93.4	Very high	137 Å²	137	55.5 Å²	55.5	73%	0.733	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	4.3	-172.9	-45.1	-53.8	0	0	0	116.1	S55	S55-N57 PolarHBondContact O-N 3.48Å
58	F	95.6	Very high	93.7	Very high	64 Å²	64	52.2 Å²	52.2	28%	0.281	25%	0.252	S	S	.	.			trans	-111.7	27.5	176	-64.5	-97.2	0	0	0	112.8	S55 A56 H60 D61 C64 C84 G85	S55-F58 WeakPolarHBondContact O-CA 3.31Å; S55-F58 WeakPolarHBondContact O-CB 3.07Å; S55-F58 PolarHBondContact O-N 3.35Å; A56-F58 VanDerWaalsContact C-N 3.26Å; A56-F58 VanDerWaalsContact O-CD2 3.24Å; A56-F58 WeakPolarHBondContact O-CD2 3.42Å; A56-F58 PolarHBondContact O-N 3.22Å; F58-H60 PolarHBondContact O-N 3.46Å; F58-D61 HydrophobicContact CB-CB 4.31Å; F58-D61 HydrophobicContact CD1-CB 4.36Å; F58-D61 PolarHBondContact O-N 2.85Å; F58-C64 HydrophobicContact CB-CB 3.59Å; F58-C64 HydrophobicContact CD1-CB 4.4Å; F58-C64 HydrophobicContact CG-CB 4.15Å; F58-C84 VanDerWaalsContact CE2-C 3.44Å; F58-G85 VanDerWaalsContact CE2-N 3.32Å; F58-G85 VanDerWaalsContact CZ-N 3.28Å
59	Q	92.5	Very high	93.6	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.6	-175.3	69.8	-82.1	-1.1	0	0	114.8	Y54	Y54-Q59 HydrophobicContact CD1-CB 4.42Å; Y54-Q59 HydrophobicContact CD2-CB 3.9Å; Y54-Q59 HydrophobicContact CE1-CB 4.07Å; Y54-Q59 HydrophobicContact CE2-CB 3.54Å; Y54-Q59 HydrophobicContact CG-CB 4.35Å
60	H	93.5	Very high	93.3	Very high	162 Å²	162	63.8 Å²	63.8	75%	0.75	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-7	179.1	-56.5	-61.2	0	0	0	112.9	F58	F58-H60 PolarHBondContact O-N 3.46Å
61	D	95.6	Very high	93.1	Very high	64 Å²	64	62 Å²	62	34%	0.342	29%	0.291	S	S	.	.			trans	-93	107.1	175.8	-173.4	-17.3	0	0	0	109.8	F58 S63 C64 M65	F58-D61 HydrophobicContact CB-CB 4.31Å; F58-D61 HydrophobicContact CD1-CB 4.36Å; F58-D61 PolarHBondContact O-N 2.85Å; D61-S63 PolarHBondContact O-N 3.41Å; D61-S63 VanDerWaalsContact O-N 3.13Å; D61-S63 VanDerWaalsContact OD1-CB 3.29Å; D61-S63 WeakPolarHBondContact OD1-CB 3.43Å; D61-S63 PolarHBondContact OD1-N 3.16Å; D61-S63 PolarHBondContact OD1-OG 3.4Å; D61-S63 PolarHBondContact OD2-OG 2.97Å; D61-C64 HydrophobicContact CB-CB 4.34Å; D61-C64 CarbonylContact O-C 3.49Å; D61-C64 PolarHBondContact O-N 3.33Å; D61-M65 PolarHBondContact O-N 2.57Å
62	R	94.5	Very high	92.9	Very high	217 Å²	217	66.5 Å²	66.5	82%	0.819	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.9	179.5	-68.4	-173.6	178.9	174.8	0.7	113.3	C64 M65	R62-C64 PolarHBondContact O-N 2.04Å; R62-M65 HydrophobicContact CG-CE 4.44Å; R62-M65 PolarHBondContact O-N 3.13Å
63	S	95.3	Very high	92.7	Very high	50 Å²	50	68.3 Å²	68.3	35%	0.35	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73.2	-16	178.1	72.6	0	0	0	0	113.6	D61 R83	D61-S63 PolarHBondContact O-N 3.41Å; D61-S63 VanDerWaalsContact O-N 3.13Å; D61-S63 VanDerWaalsContact OD1-CB 3.29Å; D61-S63 WeakPolarHBondContact OD1-CB 3.43Å; D61-S63 PolarHBondContact OD1-N 3.16Å; D61-S63 PolarHBondContact OD1-OG 3.4Å; D61-S63 PolarHBondContact OD2-OG 2.97Å; S63-R83 PolarHBondContact OG-NH2 1.99Å
64	C	97.3	Very high	92.5	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-112.7	12.4	178.6	-57	0	0	0	0	112.1	Y54 S55 F58 D61 R62 C84	Y54-C64 CarbonylContact C-O 3.49Å; Y54-C64 WeakPolarHBondContact CA-O 3.35Å; Y54-C64 VanDerWaalsContact CB-O 3.27Å; Y54-C64 WeakPolarHBondContact CB-O 3.17Å; S55-C64 PolarHBondContact N-O 3.37Å; F58-C64 HydrophobicContact CB-CB 3.59Å; F58-C64 HydrophobicContact CD1-CB 4.4Å; F58-C64 HydrophobicContact CG-CB 4.15Å; D61-C64 HydrophobicContact CB-CB 4.34Å; D61-C64 CarbonylContact O-C 3.49Å; D61-C64 PolarHBondContact O-N 3.33Å; R62-C64 PolarHBondContact O-N 2.04Å; C64-C84 WeakPolarHBondContact CA-SG 3.47Å; C64-C84 HydrophobicContact CB-CB 3.66Å; C64-C84 WeakPolarHBondContact CB-SG 3.24Å; C64-C84 WeakPolarHBondContact SG-CA 3.34Å; C64-C84 WeakPolarHBondContact SG-CB 3.35Å; C64-C84 CovalentContact SG-SG 2.04Å; C64-C84 PolarHBondContact SG-SG 3.49Å
65	M	96.2	Very high	92.1	Very high	45 Å²	45	76.3 Å²	76.3	22%	0.222	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	102.3	174.3	-172.1	167.2	68.6	0	0	109	I53 D61 R62 D68	I53-M65 CarbonylContact O-C 3.59Å; D61-M65 PolarHBondContact O-N 2.57Å; R62-M65 HydrophobicContact CG-CE 4.44Å; R62-M65 PolarHBondContact O-N 3.13Å; M65-D68 HydrophobicContact CE-CB 3.6Å; M65-D68 WeakPolarHBondContact CE-OD2 3.31Å; M65-D68 HydrophobicContact CG-CB 4.07Å; M65-D68 HydrophobicContact SD-CB 3.62Å
66	Y	94.9	Very high	91.9	Very high	39 Å²	39	82.4 Å²	82.4	15%	0.153	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-26.8	-173.3	-52.8	-60.3	0	0	0	112.7	I53 S55 F77 E78 V79 I103	I53-Y66 HydrophobicContact CG2-CD2 4.31Å; I53-Y66 PolarHBondContact O-N 3.12Å; S55-Y66 WeakPolarHBondContact OG-CE2 3.32Å; S55-Y66 PolarHBondContact OG-OH 3.1Å; Y66-F77 HydrophobicContact CD1-CB 4.27Å; Y66-F77 AromaticContact CD1-CD2 3.71Å; Y66-F77 HydrophobicContact CD1-CD2 3.71Å; Y66-F77 HydrophobicContact CD1-CE2 4.41Å; Y66-F77 HydrophobicContact CD1-CG 4.3Å; Y66-F77 AromaticContact CD2-CD2 3.69Å; Y66-F77 HydrophobicContact CD2-CD2 3.69Å; Y66-F77 AromaticContact CD2-CE2 3.56Å; Y66-F77 HydrophobicContact CD2-CE2 3.56Å; Y66-F77 HydrophobicContact CD2-CZ 4.31Å; Y66-F77 HydrophobicContact CE1-CD2 4.37Å; Y66-F77 HydrophobicContact CE2-CD2 4.35Å; Y66-F77 HydrophobicContact CE2-CE2 4.13Å; Y66-F77 HydrophobicContact CG-CB 4.21Å; Y66-F77 AromaticContact CG-CD2 3.34Å; Y66-F77 HydrophobicContact CG-CD2 3.34Å; Y66-F77 AromaticContact CG-CE2 3.74Å; Y66-F77 HydrophobicContact CG-CE2 3.74Å; Y66-F77 AromaticContact CG-CG 3.88Å; Y66-F77 HydrophobicContact CG-CG 3.88Å; Y66-E78 WeakPolarHBondContact CE1-O 3.43Å; Y66-V79 HydrophobicContact CE1-CG2 4.25Å; Y66-V79 HydrophobicContact CE2-CG2 4Å; Y66-I103 HydrophobicContact CD2-CD1 4.34Å; Y66-I103 HydrophobicContact CE2-CD1 3.7Å
67	Y	93.9	Very high	91.9	Very high	16 Å²	16	82.7 Å²	82.7	6%	0.063	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	136.2	176.7	-162.2	-91.3	0	0	0	111	F49 R52 I53 K69 E72 M75	F49-Y67 AromaticContact CD1-CD1 3.46Å; F49-Y67 HydrophobicContact CD1-CD1 3.46Å; F49-Y67 VanDerWaalsContact CD1-CD1 3.46Å; F49-Y67 AromaticContact CD1-CE1 3.46Å; F49-Y67 HydrophobicContact CD1-CE1 3.46Å; F49-Y67 VanDerWaalsContact CD1-CE1 3.46Å; F49-Y67 HydrophobicContact CD1-CG 4.43Å; F49-Y67 AromaticContact CE1-CD1 3.58Å; F49-Y67 HydrophobicContact CE1-CD1 3.58Å; F49-Y67 HydrophobicContact CE1-CE1 4.04Å; F49-Y67 HydrophobicContact CE1-CG 4.49Å; R52-Y67 CarbonylContact C-O 3.52Å; R52-Y67 VanDerWaalsContact CA-O 3.27Å; R52-Y67 WeakPolarHBondContact CA-O 3.18Å; I53-Y67 PolarHBondContact N-O 2.79Å; I53-Y67 PolarHBondContact O-N 3.23Å; Y67-K69 HydrophobicContact CE1-CB 3.96Å; Y67-K69 WeakPolarHBondContact CE1-O 3.07Å; Y67-K69 HydrophobicContact CE2-CB 4.28Å; Y67-E72 HydrophobicContact CE2-CB 3.96Å; Y67-E72 HydrophobicContact CE2-CG 4.06Å; Y67-E72 VanDerWaalsContact OH-CB 3.23Å; Y67-E72 WeakPolarHBondContact OH-CB 3.32Å; Y67-E72 WeakPolarHBondContact OH-CG 2.91Å; Y67-E72 PolarHBondContact OH-N 3.19Å; Y67-E72 VanDerWaalsContact OH-N 3.15Å; Y67-M75 HydrophobicContact CD1-SD 3.69Å; Y67-M75 HydrophobicContact CD2-CG 3.57Å; Y67-M75 HydrophobicContact CD2-SD 3.43Å; Y67-M75 WeakPolarHBondContact CD2-SD 3.38Å; Y67-M75 HydrophobicContact CE1-SD 3.95Å; Y67-M75 HydrophobicContact CE2-CG 3.69Å; Y67-M75 HydrophobicContact CE2-SD 3.76Å; Y67-M75 HydrophobicContact CG-CG 4.16Å; Y67-M75 HydrophobicContact CG-SD 3.38Å
68	D	92	Very high	91.9	Very high	53 Å²	53	80.8 Å²	80.8	28%	0.283	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	48.6	178.5	-176.6	22.4	0	0	0	110.1	R52 M65 K109	R52-D68 HydrophobicContact CG-CB 4.37Å; R52-D68 WeakPolarHBondContact CG-OD1 3.41Å; M65-D68 HydrophobicContact CE-CB 3.6Å; M65-D68 WeakPolarHBondContact CE-OD2 3.31Å; M65-D68 HydrophobicContact CG-CB 4.07Å; M65-D68 HydrophobicContact SD-CB 3.62Å; D68-K109 WeakPolarHBondContact OD1-CE 3.42Å; D68-K109 IonicContact OD1-NZ 3.95Å
69	K	86	Confident	91.9	Very high	141 Å²	141	77.7 Å²	77.7	61%	0.613	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	177.1	-175	-65.2	-175.8	-176.5	176.3	0	110.2	Y67	Y67-K69 HydrophobicContact CE1-CB 3.96Å; Y67-K69 WeakPolarHBondContact CE1-O 3.07Å; Y67-K69 HydrophobicContact CE2-CB 4.28Å
70	Y	84	Confident	92.1	Very high	166 Å²	166	76.5 Å²	76.5	65%	0.651	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.1	173.7	173.1	-96.1	0	0	0	109.9	N50	N50-Y70 HydrophobicContact CB-CD2 3.71Å; N50-Y70 HydrophobicContact CB-CE2 4.11Å
71	G	81.6	Confident	92.1	Very high	32 Å²	32	69.1 Å²	69.1	33%	0.33	32%	0.321	S	S	.	.	S	Bend	trans	106.7	-20.1	153	0	0	0	0	0	115.7	F49	F49-G71 PolarHBondContact O-N 2.9Å
72	E	87.9	Confident	91.9	Very high	97 Å²	97	73.9 Å²	73.9	45%	0.453	34%	0.339	S	S	.	.			trans	-77.7	129.5	176.8	-60.7	-174.8	-165.2	0	0	111.1	F49 Y67 M75	F49-E72 WeakPolarHBondContact CB-O 3.19Å; F49-E72 PolarHBondContact N-O 3.06Å; Y67-E72 HydrophobicContact CE2-CB 3.96Å; Y67-E72 HydrophobicContact CE2-CG 4.06Å; Y67-E72 VanDerWaalsContact OH-CB 3.23Å; Y67-E72 WeakPolarHBondContact OH-CB 3.32Å; Y67-E72 WeakPolarHBondContact OH-CG 2.91Å; Y67-E72 PolarHBondContact OH-N 3.19Å; Y67-E72 VanDerWaalsContact OH-N 3.15Å; E72-M75 HydrophobicContact CB-CG 4.4Å
73	Q	89.5	Confident	92	Very high	92 Å²	92	69.1 Å²	69.1	43%	0.43	32%	0.321	S	S	.	.	S	Bend	trans	-87.2	-18.7	171	-71.2	-179.9	-31.5	0	0	112.2	Q44 F45 Y46 P48	Q44-Q73 CarbonylContact C-O 3.5Å; Q44-Q73 VanDerWaalsContact CA-O 3.23Å; Q44-Q73 WeakPolarHBondContact CA-O 3.05Å; F45-Q73 PolarHBondContact N-O 3.32Å; Y46-Q73 PolarHBondContact O-NE2 2.79Å; P48-Q73 HydrophobicContact CB-CG 4.47Å; P48-Q73 HydrophobicContact CG-CG 4.23Å
74	R	90	Very high	92.1	Very high	163 Å²	163	67 Å²	67	62%	0.615	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.3	-175.5	-66.8	178.7	-178	154.1	3.3	108.8	F43 Q44	F43-R74 CarbonylContact O-C 3.51Å; F43-R74 WeakPolarHBondContact O-CA 3.43Å; Q44-R74 HydrophobicContact CB-CG 4.27Å; Q44-R74 HydrophobicContact CG-CG 4.06Å
75	M	89.7	Confident	92	Very high	6 Å²	6	69 Å²	69	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	179.9	-71	161.1	-87.2	0	0	109.3	K42 F43 F45 F49 I53 Y67 E72	K42-M75 VanDerWaalsContact CA-O 3.32Å; K42-M75 WeakPolarHBondContact CA-O 3.39Å; F43-M75 HydrophobicContact CB-CE 4.47Å; F43-M75 PolarHBondContact N-O 2.86Å; F43-M75 PolarHBondContact O-N 2.69Å; F45-M75 HydrophobicContact CD2-CE 3.29Å; F45-M75 HydrophobicContact CE2-CE 3.08Å; F45-M75 HydrophobicContact CG-CE 4.47Å; F45-M75 HydrophobicContact CZ-CE 4.11Å; F49-M75 HydrophobicContact CB-CE 3.61Å; F49-M75 HydrophobicContact CD1-CE 3.72Å; F49-M75 HydrophobicContact CD1-SD 3.78Å; F49-M75 HydrophobicContact CE1-SD 4.37Å; F49-M75 HydrophobicContact CG-CE 3.72Å; F49-M75 HydrophobicContact CG-SD 4.39Å; I53-M75 HydrophobicContact CD1-CE 3.94Å; I53-M75 HydrophobicContact CD1-SD 3.46Å; I53-M75 WeakPolarHBondContact CD1-SD 3.01Å; I53-M75 HydrophobicContact CG1-SD 4.5Å; Y67-M75 HydrophobicContact CD1-SD 3.69Å; Y67-M75 HydrophobicContact CD2-CG 3.57Å; Y67-M75 HydrophobicContact CD2-SD 3.43Å; Y67-M75 WeakPolarHBondContact CD2-SD 3.38Å; Y67-M75 HydrophobicContact CE1-SD 3.95Å; Y67-M75 HydrophobicContact CE2-CG 3.69Å; Y67-M75 HydrophobicContact CE2-SD 3.76Å; Y67-M75 HydrophobicContact CG-CG 4.16Å; Y67-M75 HydrophobicContact CG-SD 3.38Å; E72-M75 HydrophobicContact CB-CG 4.4Å
76	L	91.8	Very high	92	Very high	128 Å²	128	67.6 Å²	67.6	67%	0.67	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.3	171.4	-173.7	73.1	0	0	0	107.1	T40 A41 K42	T40-L76 HydrophobicContact CG2-CD1 3.66Å; T40-L76 HydrophobicContact CG2-CG 4.24Å; A41-L76 WeakPolarHBondContact O-CA 3.48Å; K42-L76 HydrophobicContact CB-CD1 4.08Å
77	F	93.7	Very high	92	Very high	17 Å²	17	73 Å²	73	8%	0.075	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.5	-179.6	61.4	-94.5	0	0	0	111.5	T40 A41 F43 I53 Y66 V79 I103	T40-F77 CarbonylContact C-O 3.53Å; T40-F77 WeakPolarHBondContact CA-O 3.22Å; A41-F77 HydrophobicContact CB-CD1 4.48Å; A41-F77 HydrophobicContact CB-CD2 4.1Å; A41-F77 HydrophobicContact CB-CE1 4.07Å; A41-F77 HydrophobicContact CB-CE2 3.64Å; A41-F77 HydrophobicContact CB-CZ 3.63Å; A41-F77 PolarHBondContact N-O 2.83Å; A41-F77 PolarHBondContact O-N 2.79Å; F43-F77 AromaticContact CD2-CE1 3.48Å; F43-F77 HydrophobicContact CD2-CE1 3.48Å; F43-F77 VanDerWaalsContact CD2-CE1 3.48Å; F43-F77 AromaticContact CD2-CZ 3.88Å; F43-F77 HydrophobicContact CD2-CZ 3.88Å; F43-F77 AromaticContact CE2-CE1 3.66Å; F43-F77 HydrophobicContact CE2-CE1 3.66Å; F43-F77 AromaticContact CE2-CZ 3.53Å; F43-F77 HydrophobicContact CE2-CZ 3.53Å; F43-F77 HydrophobicContact CG-CE1 4.48Å; I53-F77 HydrophobicContact CD1-CE1 4.46Å; I53-F77 HydrophobicContact CG2-CE1 3.94Å; I53-F77 HydrophobicContact CG2-CE2 4.5Å; I53-F77 HydrophobicContact CG2-CZ 3.74Å; Y66-F77 HydrophobicContact CD1-CB 4.27Å; Y66-F77 AromaticContact CD1-CD2 3.71Å; Y66-F77 HydrophobicContact CD1-CD2 3.71Å; Y66-F77 HydrophobicContact CD1-CE2 4.41Å; Y66-F77 HydrophobicContact CD1-CG 4.3Å; Y66-F77 AromaticContact CD2-CD2 3.69Å; Y66-F77 HydrophobicContact CD2-CD2 3.69Å; Y66-F77 AromaticContact CD2-CE2 3.56Å; Y66-F77 HydrophobicContact CD2-CE2 3.56Å; Y66-F77 HydrophobicContact CD2-CZ 4.31Å; Y66-F77 HydrophobicContact CE1-CD2 4.37Å; Y66-F77 HydrophobicContact CE2-CD2 4.35Å; Y66-F77 HydrophobicContact CE2-CE2 4.13Å; Y66-F77 HydrophobicContact CG-CB 4.21Å; Y66-F77 AromaticContact CG-CD2 3.34Å; Y66-F77 HydrophobicContact CG-CD2 3.34Å; Y66-F77 AromaticContact CG-CE2 3.74Å; Y66-F77 HydrophobicContact CG-CE2 3.74Å; Y66-F77 AromaticContact CG-CG 3.88Å; Y66-F77 HydrophobicContact CG-CG 3.88Å; F77-V79 HydrophobicContact CD2-CG2 4.02Å; F77-V79 HydrophobicContact CE2-CG2 3.78Å; F77-I103 HydrophobicContact CE2-CD1 4.38Å; F77-I103 HydrophobicContact CZ-CG2 4.32Å
78	E	94.7	Very high	91.9	Very high	96 Å²	96	74.7 Å²	74.7	45%	0.449	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.2	-179.9	-171.8	177.1	171.4	0	0	110.4	N37 Y66	N37-E78 WeakPolarHBondContact CB-OE1 3.33Å; Y66-E78 WeakPolarHBondContact CE1-O 3.43Å
79	V	95.7	Very high	91.8	Very high	0 Å²	0	78 Å²	78	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.4	173.2	179.7	0	0	0	0	107.5	G38 I39 Y66 F77 T86 N101 I103	G38-V79 CarbonylContact C-O 3.56Å; G38-V79 WeakPolarHBondContact CA-O 2.92Å; I39-V79 HydrophobicContact CB-CB 4.18Å; I39-V79 PolarHBondContact N-O 2.79Å; I39-V79 PolarHBondContact O-N 2.98Å; Y66-V79 HydrophobicContact CE1-CG2 4.25Å; Y66-V79 HydrophobicContact CE2-CG2 4Å; F77-V79 HydrophobicContact CD2-CG2 4.02Å; F77-V79 HydrophobicContact CE2-CG2 3.78Å; V79-T86 WeakPolarHBondContact CG1-OG1 3.4Å; V79-N101 HydrophobicContact CG1-CB 3.67Å; V79-N101 VanDerWaalsContact CG1-CG 3.41Å; V79-I103 HydrophobicContact CG2-CD1 3.74Å
80	P	95.4	Very high	91.8	Very high	22 Å²	22	76.2 Å²	76.2	14%	0.143	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	147.1	-173.5	27.4	-36.6	0	0	0	112.6	F82 R83 C84 T86	P80-F82 VanDerWaalsContact C-N 3.3Å; P80-F82 PolarHBondContact O-N 2.79Å; P80-R83 HydrophobicContact CB-CG 3.69Å; P80-R83 HydrophobicContact CG-CB 4.48Å; P80-R83 HydrophobicContact CG-CG 3.15Å; P80-C84 HydrophobicContact CG-CB 4.36Å; P80-T86 WeakPolarHBondContact O-CB 3.31Å; P80-T86 PolarHBondContact O-OG1 2.79Å
81	S	93.3	Very high	91.8	Very high	7 Å²	7	70.5 Å²	70.5	5%	0.049	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.2	-174.3	57.3	0	0	0	0	115.4	V36 N37	V36-S81 PolarHBondContact O-OG 2.85Å; V36-S81 VanDerWaalsContact O-OG 3.13Å; N37-S81 WeakPolarHBondContact O-CB 3.42Å; N37-S81 PolarHBondContact O-N 2.79Å; N37-S81 PolarHBondContact O-OG 2.99Å
82	F	93.5	Very high	92.1	Very high	164 Å²	164	75.2 Å²	75.2	72%	0.719	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	7	-169.6	62	-90.8	0	0	0	114.8	P80	P80-F82 VanDerWaalsContact C-N 3.3Å; P80-F82 PolarHBondContact O-N 2.79Å
83	R	95.2	Very high	92.1	Very high	118 Å²	118	76.3 Å²	76.3	45%	0.445	37%	0.367	S	S	.	.	S	Bend	trans	-147.7	-176.1	178.8	66.5	-175.1	-68.1	168.9	10.3	110.3	S63 P80 G85 T86	S63-R83 PolarHBondContact OG-NH2 1.99Å; P80-R83 HydrophobicContact CB-CG 3.69Å; P80-R83 HydrophobicContact CG-CB 4.48Å; P80-R83 HydrophobicContact CG-CG 3.15Å; R83-G85 PolarHBondContact O-N 2.81Å; R83-T86 WeakPolarHBondContact O-CB 3.1Å; R83-T86 PolarHBondContact O-N 3.22Å; R83-T86 VanDerWaalsContact O-N 3.12Å; R83-T86 PolarHBondContact O-OG1 2.75Å; R83-T86 VanDerWaalsContact O-OG1 3.06Å
84	C	97.2	Very high	91.7	Very high	5 Å²	5	77.2 Å²	77.2	3%	0.034	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	30.6	179.8	-56.8	0	0	0	0	114.1	S55 F58 C64 P80 T86 N101	S55-C84 WeakPolarHBondContact CB-O 3.32Å; S55-C84 PolarHBondContact OG-O 2.88Å; F58-C84 VanDerWaalsContact CE2-C 3.44Å; C64-C84 WeakPolarHBondContact CA-SG 3.47Å; C64-C84 HydrophobicContact CB-CB 3.66Å; C64-C84 WeakPolarHBondContact CB-SG 3.24Å; C64-C84 WeakPolarHBondContact SG-CA 3.34Å; C64-C84 WeakPolarHBondContact SG-CB 3.35Å; C64-C84 CovalentContact SG-SG 2.04Å; C64-C84 PolarHBondContact SG-SG 3.49Å; P80-C84 HydrophobicContact CG-CB 4.36Å; C84-T86 VanDerWaalsContact C-N 3.26Å; C84-T86 PolarHBondContact O-N 2.94Å; C84-N101 PolarHBondContact O-ND2 2.72Å
85	G	95.9	Very high	91.4	Very high	41 Å²	41	75.7 Å²	75.7	42%	0.423	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	7.9	-179.6	0	0	0	0	0	114.7	F58 R83 R87	F58-G85 VanDerWaalsContact CE2-N 3.32Å; F58-G85 VanDerWaalsContact CZ-N 3.28Å; R83-G85 PolarHBondContact O-N 2.81Å; G85-R87 PolarHBondContact O-N 2.9Å
86	T	96	Very high	91.1	Very high	17 Å²	17	76.4 Å²	76.4	10%	0.104	37%	0.372	C	S	.	.			trans	-66.7	124.9	177.8	-55.5	0	0	0	0	110.5	V79 P80 R83 C84 L99 E100 N101	V79-T86 WeakPolarHBondContact CG1-OG1 3.4Å; P80-T86 WeakPolarHBondContact O-CB 3.31Å; P80-T86 PolarHBondContact O-OG1 2.79Å; R83-T86 WeakPolarHBondContact O-CB 3.1Å; R83-T86 PolarHBondContact O-N 3.22Å; R83-T86 VanDerWaalsContact O-N 3.12Å; R83-T86 PolarHBondContact O-OG1 2.75Å; R83-T86 VanDerWaalsContact O-OG1 3.06Å; C84-T86 VanDerWaalsContact C-N 3.26Å; C84-T86 PolarHBondContact O-N 2.94Å; T86-L99 HydrophobicContact CG2-CD2 3.82Å; T86-E100 CarbonylContact C-O 3.56Å; T86-E100 VanDerWaalsContact CA-O 3.32Å; T86-E100 WeakPolarHBondContact CA-O 3.02Å; T86-N101 VanDerWaalsContact CA-ND2 3.34Å; T86-N101 WeakPolarHBondContact CA-ND2 3.38Å; T86-N101 PolarHBondContact N-ND2 3.06Å; T86-N101 VanDerWaalsContact N-ND2 3.1Å; T86-N101 PolarHBondContact OG1-ND2 2.76Å
87	R	95.1	Very high	90.8	Very high	152 Å²	152	71.8 Å²	71.8	57%	0.574	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	122	171.9	-61.2	175.8	176.5	169.8	-6.1	108.3	G85 W89 L99 E100	G85-R87 PolarHBondContact O-N 2.9Å; R87-W89 HydrophobicContact CB-CE3 4.35Å; R87-W89 HydrophobicContact CB-CH2 3.61Å; R87-W89 HydrophobicContact CB-CZ2 4.45Å; R87-W89 HydrophobicContact CB-CZ3 3.47Å; R87-W89 VanDerWaalsContact CB-CZ3 3.47Å; R87-W89 HydrophobicContact CG-CH2 4.43Å; R87-L99 CarbonylContact O-C 3.59Å; R87-L99 WeakPolarHBondContact O-CA 3.15Å; R87-E100 HydrophobicContact CB-CB 4.35Å; R87-E100 PolarHBondContact N-O 2.91Å; R87-E100 IonicContact NH1-OE1 3.14Å; R87-E100 PolarHBondContact NH1-OE1 2.9Å; R87-E100 VanDerWaalsContact NH1-OE1 3.14Å; R87-E100 PolarHBondContact O-N 2.85Å
88	S	91.2	Very high	90.6	Very high	52 Å²	52	72.2 Å²	72.2	36%	0.364	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.5	178.5	72.1	0	0	0	0	110.7	H98	S88-H98 CarbonylContact C-O 3.52Å; S88-H98 VanDerWaalsContact CA-O 3.28Å; S88-H98 WeakPolarHBondContact CA-O 3.46Å
89	W	90.3	Very high	90.4	Very high	121 Å²	121	67.8 Å²	67.8	46%	0.458	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.5	171.1	-61.7	-98.9	0	0	0	109.6	R87 I96 V97 H98 E100	R87-W89 HydrophobicContact CB-CE3 4.35Å; R87-W89 HydrophobicContact CB-CH2 3.61Å; R87-W89 HydrophobicContact CB-CZ2 4.45Å; R87-W89 HydrophobicContact CB-CZ3 3.47Å; R87-W89 VanDerWaalsContact CB-CZ3 3.47Å; R87-W89 HydrophobicContact CG-CH2 4.43Å; W89-I96 WeakPolarHBondContact O-CA 3.27Å; W89-V97 HydrophobicContact CB-CG2 4.2Å; W89-V97 PolarHBondContact O-N 2.77Å; W89-H98 HydrophobicContact CB-CB 4.13Å; W89-H98 HydrophobicContact CD2-CB 4.13Å; W89-H98 HydrophobicContact CE3-CB 3.49Å; W89-H98 VanDerWaalsContact CE3-CB 3.49Å; W89-H98 AromaticContact CE3-CD2 3.12Å; W89-H98 AromaticContact CE3-CG 3.35Å; W89-H98 AromaticContact CE3-NE2 3.75Å; W89-H98 HydrophobicContact CG-CB 4.46Å; W89-H98 AromaticContact CH2-CD2 3.97Å; W89-H98 AromaticContact CH2-NE2 3.7Å; W89-H98 HydrophobicContact CZ3-CB 4.23Å; W89-H98 AromaticContact CZ3-CD2 2.91Å; W89-H98 WeakPolarHBondContact CZ3-CD2 3.04Å; W89-H98 AromaticContact CZ3-CE1 3.74Å; W89-H98 AromaticContact CZ3-CG 3.56Å; W89-H98 AromaticContact CZ3-NE2 3.07Å; W89-H98 WeakPolarHBondContact CZ3-NE2 3.41Å; W89-H98 PolarHBondContact N-O 2.82Å; W89-H98 PolarHBondContact O-N 2.66Å; W89-E100 HydrophobicContact CZ3-CB 4.36Å
90	R	86.5	Confident	90.3	Very high	105 Å²	105	69.7 Å²	69.7	40%	0.396	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.6	176.4	-62.8	-176.6	178.2	-106.1	0.6	110.3	N94 R95 I96	R90-N94 WeakPolarHBondContact CD-OD1 3.39Å; R90-N94 PolarHBondContact NH1-O 3.02Å; R90-R95 CarbonylContact C-O 3.49Å; R90-R95 WeakPolarHBondContact CA-O 3.27Å; R90-R95 WeakPolarHBondContact CB-O 3.41Å; R90-I96 HydrophobicContact CG-CG1 4.12Å
91	N	83.6	Confident	90.3	Very high	46 Å²	46	68.8 Å²	68.8	25%	0.246	33%	0.334	C	S	.	.			trans	-80	-178.9	170.7	65.3	14.3	0	0	0	111.4	E93 N94 R95 V97	N91-E93 PolarHBondContact O-N 2.89Å; N91-E93 WeakPolarHBondContact OD1-CA 3.16Å; N91-E93 WeakPolarHBondContact OD1-CB 3.34Å; N91-E93 PolarHBondContact OD1-N 3.45Å; N91-N94 WeakPolarHBondContact O-CA 3.21Å; N91-N94 PolarHBondContact O-N 2.76Å; N91-N94 PolarHBondContact OD1-N 3.14Å; N91-R95 PolarHBondContact N-O 3.04Å; N91-R95 WeakPolarHBondContact OD1-CB 3.38Å; N91-R95 PolarHBondContact OD1-N 3.18Å; N91-R95 PolarHBondContact OD1-O 3.11Å; N91-V97 HydrophobicContact CB-CG1 3.65Å
92	S	87.9	Confident	90.4	Very high	130 Å²	130	70.6 Å²	70.6	91%	0.909	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.4	177	48.9	0	0	0	0	113.9	N94	S92-N94 PolarHBondContact O-N 2.89Å
93	E	87.5	Confident	90.4	Very high	121 Å²	121	62.8 Å²	62.8	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	10	173.7	-57.4	-176.5	-179.5	0	0	112.7	N91 R95	N91-E93 PolarHBondContact O-N 2.89Å; N91-E93 WeakPolarHBondContact OD1-CA 3.16Å; N91-E93 WeakPolarHBondContact OD1-CB 3.34Å; N91-E93 PolarHBondContact OD1-N 3.45Å; E93-R95 HydrophobicContact CB-CG 4.19Å; E93-R95 PolarHBondContact O-N 3.37Å; E93-R95 IonicContact OE2-CZ 3.19Å; E93-R95 IonicContact OE2-NE 3.15Å; E93-R95 PolarHBondContact OE2-NE 2.78Å; E93-R95 VanDerWaalsContact OE2-NE 3.15Å; E93-R95 IonicContact OE2-NH1 3.78Å; E93-R95 IonicContact OE2-NH2 3.4Å; E93-R95 PolarHBondContact OE2-NH2 2.82Å
94	N	82.1	Confident	90.4	Very high	110 Å²	110	58.2 Å²	58.2	59%	0.588	29%	0.29	S	S	*	.	S	Bend	trans	61.1	19.5	-177.3	-164.7	35.6	0	0	0	114	R90 N91 S92	R90-N94 WeakPolarHBondContact CD-OD1 3.39Å; R90-N94 PolarHBondContact NH1-O 3.02Å; N91-N94 WeakPolarHBondContact O-CA 3.21Å; N91-N94 PolarHBondContact O-N 2.76Å; N91-N94 PolarHBondContact OD1-N 3.14Å; S92-N94 PolarHBondContact O-N 2.89Å
95	R	83	Confident	90.1	Very high	132 Å²	132	58 Å²	58	50%	0.498	29%	0.288	S	S	.	.			trans	-85.5	139.3	174.5	-59.8	-177.8	-177.5	-177.3	5.1	109.9	R90 N91 E93 V97	R90-R95 CarbonylContact C-O 3.49Å; R90-R95 WeakPolarHBondContact CA-O 3.27Å; R90-R95 WeakPolarHBondContact CB-O 3.41Å; N91-R95 PolarHBondContact N-O 3.04Å; N91-R95 WeakPolarHBondContact OD1-CB 3.38Å; N91-R95 PolarHBondContact OD1-N 3.18Å; N91-R95 PolarHBondContact OD1-O 3.11Å; E93-R95 HydrophobicContact CB-CG 4.19Å; E93-R95 PolarHBondContact O-N 3.37Å; E93-R95 IonicContact OE2-CZ 3.19Å; E93-R95 IonicContact OE2-NE 3.15Å; E93-R95 PolarHBondContact OE2-NE 2.78Å; E93-R95 VanDerWaalsContact OE2-NE 3.15Å; E93-R95 IonicContact OE2-NH1 3.78Å; E93-R95 IonicContact OE2-NH2 3.4Å; E93-R95 PolarHBondContact OE2-NH2 2.82Å; R95-V97 PolarHBondContact O-N 3.07Å
96	I	83.1	Confident	90	Very high	20 Å²	20	56 Å²	56	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	117.3	174.3	-64.8	-169	0	0	0	108.7	V36 W89 R90 L99	V36-I96 HydrophobicContact CG2-CD1 4.19Å; V36-I96 HydrophobicContact CG2-CG1 4.5Å; V36-I96 VanDerWaalsContact O-CD1 3.31Å; V36-I96 WeakPolarHBondContact O-CD1 3.23Å; W89-I96 WeakPolarHBondContact O-CA 3.27Å; R90-I96 HydrophobicContact CG-CG1 4.12Å; I96-L99 HydrophobicContact CD1-CD1 4.23Å; I96-L99 HydrophobicContact CD1-CD2 4.32Å; I96-L99 HydrophobicContact CD1-CG 4.45Å; I96-L99 HydrophobicContact CG2-CD1 3.75Å; I96-L99 HydrophobicContact CG2-CD2 4.19Å; I96-L99 HydrophobicContact CG2-CG 3.5Å; I96-L99 VanDerWaalsContact CG2-CG 3.5Å
97	V	86.5	Confident	89.6	Confident	31 Å²	31	57.6 Å²	57.6	19%	0.188	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-15.7	178.3	-61.9	0	0	0	0	112.7	W89 N91 R95 K124 E125	W89-V97 HydrophobicContact CB-CG2 4.2Å; W89-V97 PolarHBondContact O-N 2.77Å; N91-V97 HydrophobicContact CB-CG1 3.65Å; R95-V97 PolarHBondContact O-N 3.07Å; V97-K124 CarbonylContact O-C 3.46Å; V97-K124 WeakPolarHBondContact O-CA 3.04Å; V97-E125 HydrophobicContact CB-CB 3.98Å; V97-E125 HydrophobicContact CG1-CB 4.25Å; V97-E125 WeakPolarHBondContact CG1-OE2 3.43Å; V97-E125 PolarHBondContact O-N 2.75Å
98	H	88.4	Confident	89.2	Confident	27 Å²	27	52.9 Å²	52.9	13%	0.125	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.7	172.5	-173.4	136.1	0	0	0	110	S88 W89 E100 C123 K124	S88-H98 CarbonylContact C-O 3.52Å; S88-H98 VanDerWaalsContact CA-O 3.28Å; S88-H98 WeakPolarHBondContact CA-O 3.46Å; W89-H98 HydrophobicContact CB-CB 4.13Å; W89-H98 HydrophobicContact CD2-CB 4.13Å; W89-H98 HydrophobicContact CE3-CB 3.49Å; W89-H98 VanDerWaalsContact CE3-CB 3.49Å; W89-H98 AromaticContact CE3-CD2 3.12Å; W89-H98 AromaticContact CE3-CG 3.35Å; W89-H98 AromaticContact CE3-NE2 3.75Å; W89-H98 HydrophobicContact CG-CB 4.46Å; W89-H98 AromaticContact CH2-CD2 3.97Å; W89-H98 AromaticContact CH2-NE2 3.7Å; W89-H98 HydrophobicContact CZ3-CB 4.23Å; W89-H98 AromaticContact CZ3-CD2 2.91Å; W89-H98 WeakPolarHBondContact CZ3-CD2 3.04Å; W89-H98 AromaticContact CZ3-CE1 3.74Å; W89-H98 AromaticContact CZ3-CG 3.56Å; W89-H98 AromaticContact CZ3-NE2 3.07Å; W89-H98 WeakPolarHBondContact CZ3-NE2 3.41Å; W89-H98 PolarHBondContact N-O 2.82Å; W89-H98 PolarHBondContact O-N 2.66Å; H98-E100 IonicContact CE1-OE2 2.97Å; H98-E100 VanDerWaalsContact NE2-CB 3.32Å; H98-E100 WeakPolarHBondContact NE2-CB 2.98Å; H98-E100 IonicContact NE2-OE2 2.98Å; H98-E100 PolarHBondContact NE2-OE2 3Å; H98-C123 CarbonylContact C-O 3.58Å; H98-C123 WeakPolarHBondContact CA-O 3.47Å; H98-K124 HydrophobicContact CB-CG 4.45Å; H98-K124 WeakPolarHBondContact CE1-CE 3.37Å; H98-K124 WeakPolarHBondContact ND1-CE 3.44Å; H98-K124 WeakPolarHBondContact ND1-CG 3.32Å
99	L	91.4	Very high	88.9	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.5	164.4	-77.1	163.8	0	0	0	109.2	S35 I39 T86 R87 I96 V122 C123	S35-L99 WeakPolarHBondContact O-CD1 3.02Å; I39-L99 HydrophobicContact CD1-CB 4.17Å; I39-L99 HydrophobicContact CG1-CB 4.16Å; I39-L99 HydrophobicContact CG1-CD1 4.49Å; T86-L99 HydrophobicContact CG2-CD2 3.82Å; R87-L99 CarbonylContact O-C 3.59Å; R87-L99 WeakPolarHBondContact O-CA 3.15Å; I96-L99 HydrophobicContact CD1-CD1 4.23Å; I96-L99 HydrophobicContact CD1-CD2 4.32Å; I96-L99 HydrophobicContact CD1-CG 4.45Å; I96-L99 HydrophobicContact CG2-CD1 3.75Å; I96-L99 HydrophobicContact CG2-CD2 4.19Å; I96-L99 HydrophobicContact CG2-CG 3.5Å; I96-L99 VanDerWaalsContact CG2-CG 3.5Å; L99-V122 CarbonylContact O-C 3.56Å; L99-V122 VanDerWaalsContact O-CA 3.31Å; L99-V122 WeakPolarHBondContact O-CA 3.32Å; L99-C123 HydrophobicContact CB-CB 4.03Å; L99-C123 PolarHBondContact N-O 3.49Å; L99-C123 PolarHBondContact O-N 3.15Å
100	E	93.5	Very high	88.8	Confident	41 Å²	41	56.7 Å²	56.7	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	132.1	177.1	170.4	-176.5	137.6	0	0	110.8	T86 R87 W89 H98 I120 F121 V122	T86-E100 CarbonylContact C-O 3.56Å; T86-E100 VanDerWaalsContact CA-O 3.32Å; T86-E100 WeakPolarHBondContact CA-O 3.02Å; R87-E100 HydrophobicContact CB-CB 4.35Å; R87-E100 PolarHBondContact N-O 2.91Å; R87-E100 IonicContact NH1-OE1 3.14Å; R87-E100 PolarHBondContact NH1-OE1 2.9Å; R87-E100 VanDerWaalsContact NH1-OE1 3.14Å; R87-E100 PolarHBondContact O-N 2.85Å; W89-E100 HydrophobicContact CZ3-CB 4.36Å; H98-E100 IonicContact CE1-OE2 2.97Å; H98-E100 VanDerWaalsContact NE2-CB 3.32Å; H98-E100 WeakPolarHBondContact NE2-CB 2.98Å; H98-E100 IonicContact NE2-OE2 2.98Å; H98-E100 PolarHBondContact NE2-OE2 3Å; E100-I120 HydrophobicContact CG-CG2 4.17Å; E100-F121 CarbonylContact C-O 3.53Å; E100-F121 WeakPolarHBondContact CA-O 3.43Å; E100-V122 HydrophobicContact CB-CG2 4.36Å; E100-V122 HydrophobicContact CG-CG2 4.12Å
101	N	95.3	Very high	88.8	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148	171	-164.8	-90.1	0	0	0	109.8	I39 S55 V79 C84 T86 I103 F121	I39-N101 HydrophobicContact CD1-CB 4.3Å; S55-N101 PolarHBondContact OG-OD1 3.22Å; V79-N101 HydrophobicContact CG1-CB 3.67Å; V79-N101 VanDerWaalsContact CG1-CG 3.41Å; C84-N101 PolarHBondContact O-ND2 2.72Å; T86-N101 VanDerWaalsContact CA-ND2 3.34Å; T86-N101 WeakPolarHBondContact CA-ND2 3.38Å; T86-N101 PolarHBondContact N-ND2 3.06Å; T86-N101 VanDerWaalsContact N-ND2 3.1Å; T86-N101 PolarHBondContact OG1-ND2 2.76Å; N101-I103 WeakPolarHBondContact OD1-CD1 3.28Å; N101-F121 PolarHBondContact N-O 2.91Å; N101-F121 PolarHBondContact O-N 2.89Å
102	E	95	Very high	89.1	Confident	44 Å²	44	57.5 Å²	57.5	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.2	173.6	-173.3	175.8	-161.5	0	0	110.1	S55 A56 R118 Y119 I120	S55-E102 CarbonylContact C-O 3.52Å; S55-E102 WeakPolarHBondContact CA-O 2.98Å; A56-E102 HydrophobicContact CB-CB 3.87Å; A56-E102 HydrophobicContact CB-CG 3.65Å; A56-E102 PolarHBondContact N-O 2.78Å; E102-R118 IonicContact OE1-CZ 3.67Å; E102-R118 IonicContact OE1-NE 2.68Å; E102-R118 PolarHBondContact OE1-NE 2.8Å; E102-R118 IonicContact OE1-NH2 3.52Å; E102-R118 PolarHBondContact OE1-NH2 3.08Å; E102-R118 IonicContact OE2-CZ 2.66Å; E102-R118 IonicContact OE2-NH2 3.02Å; E102-R118 PolarHBondContact OE2-NH2 2.76Å; E102-Y119 CarbonylContact C-O 3.54Å; E102-Y119 WeakPolarHBondContact CA-O 3.43Å; E102-I120 HydrophobicContact CG-CG1 4.27Å
103	I	94.4	Very high	89	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.4	-179.5	-56.8	-57.3	0	0	0	109.9	F43 I53 Y66 F77 V79 N101 V105 R118 Y119 F121	F43-I103 HydrophobicContact CZ-CG2 4.45Å; I53-I103 HydrophobicContact CG2-CG2 3.63Å; Y66-I103 HydrophobicContact CD2-CD1 4.34Å; Y66-I103 HydrophobicContact CE2-CD1 3.7Å; F77-I103 HydrophobicContact CE2-CD1 4.38Å; F77-I103 HydrophobicContact CZ-CG2 4.32Å; V79-I103 HydrophobicContact CG2-CD1 3.74Å; N101-I103 WeakPolarHBondContact OD1-CD1 3.28Å; I103-V105 HydrophobicContact CG2-CG2 4.35Å; I103-R118 CarbonylContact O-C 3.45Å; I103-R118 WeakPolarHBondContact O-CA 3.34Å; I103-Y119 PolarHBondContact N-O 3.44Å; I103-Y119 PolarHBondContact O-N 3.44Å; I103-F121 HydrophobicContact CB-CE2 4.29Å; I103-F121 HydrophobicContact CB-CZ 4.39Å; I103-F121 HydrophobicContact CD1-CD2 4.43Å; I103-F121 HydrophobicContact CD1-CE2 4.34Å; I103-F121 HydrophobicContact CG1-CD2 3.59Å; I103-F121 HydrophobicContact CG1-CE2 3.36Å; I103-F121 HydrophobicContact CG1-CG 4.32Å; I103-F121 HydrophobicContact CG1-CZ 3.93Å
104	Y	93.8	Very high	88.9	Confident	22 Å²	22	55.6 Å²	55.6	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.3	171.7	-159	-84.4	0	0	0	109.6	I53 Y54 Q106 K112 D116 R118 N160	I53-Y104 WeakPolarHBondContact CA-O 3.36Å; Y54-Y104 AromaticContact CE1-CD1 3.99Å; Y54-Y104 HydrophobicContact CE1-CD1 3.99Å; Y54-Y104 VanDerWaalsContact CE2-CB 3.49Å; Y54-Y104 HydrophobicContact CE2-CD1 4.1Å; Y54-Y104 AromaticContact CE2-CG 3.92Å; Y54-Y104 HydrophobicContact CE2-CG 3.92Å; Y54-Y104 AromaticContact CZ-CD1 3.46Å; Y54-Y104 VanDerWaalsContact CZ-CD1 3.46Å; Y54-Y104 AromaticContact CZ-CG 3.78Å; Y54-Y104 PolarHBondContact N-O 3.5Å; Y54-Y104 VanDerWaalsContact N-O 3.11Å; Y54-Y104 PolarHBondContact O-N 2.87Å; Y54-Y104 WeakPolarHBondContact OH-CD1 3.29Å; Y54-Y104 WeakPolarHBondContact OH-CE1 3.03Å; Y104-Q106 HydrophobicContact CD1-CB 4.12Å; Y104-Q106 HydrophobicContact CE1-CB 4Å; Y104-Q106 HydrophobicContact CE1-CG 4.32Å; Y104-K112 HydrophobicContact CE1-CG 4.47Å; Y104-D116 HydrophobicContact CE1-CB 3.7Å; Y104-D116 WeakPolarHBondContact CE1-OD2 3.23Å; Y104-D116 WeakPolarHBondContact OH-CB 3.38Å; Y104-D116 PolarHBondContact OH-OD2 3.47Å; Y104-D116 VanDerWaalsContact OH-OD2 3.12Å; Y104-R118 HydrophobicContact CD2-CG 3.45Å; Y104-R118 VanDerWaalsContact CD2-CG 3.45Å; Y104-R118 HydrophobicContact CE2-CG 3.69Å; Y104-R118 HydrophobicContact CG-CG 4.43Å; Y104-N160 PolarHBondContact OH-ND2 3.28Å
105	V	92.8	Very high	88.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	101.6	174	178.6	0	0	0	0	107.3	F43 F45 F49 I53 I103 L107 D116 K117 Y119	F43-V105 HydrophobicContact CD1-CG2 4.5Å; F43-V105 HydrophobicContact CE1-CG2 3.74Å; F43-V105 HydrophobicContact CZ-CG2 4.12Å; F45-V105 HydrophobicContact CE1-CG1 4.12Å; F45-V105 HydrophobicContact CZ-CG1 3.84Å; F49-V105 HydrophobicContact CE2-CG1 3.71Å; F49-V105 HydrophobicContact CZ-CG1 3.98Å; I53-V105 HydrophobicContact CG1-CG1 4.41Å; I53-V105 HydrophobicContact CG1-CG2 4.3Å; I53-V105 HydrophobicContact CG2-CG2 4.3Å; I103-V105 HydrophobicContact CG2-CG2 4.35Å; V105-L107 HydrophobicContact CG1-CD2 4.1Å; V105-D116 WeakPolarHBondContact O-CA 2.86Å; V105-D116 WeakPolarHBondContact O-CB 3.23Å; V105-K117 HydrophobicContact CB-CB 4.31Å; V105-K117 PolarHBondContact N-O 2.89Å; V105-K117 PolarHBondContact O-N 2.75Å; V105-Y119 HydrophobicContact CB-CE2 4.25Å; V105-Y119 HydrophobicContact CG2-CD2 3.86Å; V105-Y119 HydrophobicContact CG2-CE2 3.65Å
106	Q	92.1	Very high	89.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.3	175	-162.8	-168.7	-24.1	0	0	108.4	F49 G51 R52 Y54 Y104 D108 S111 K112 D116	F49-Q106 WeakPolarHBondContact CZ-O 3.34Å; G51-Q106 VanDerWaalsContact CA-O 3.29Å; G51-Q106 WeakPolarHBondContact CA-O 3.33Å; R52-Q106 HydrophobicContact CB-CB 4.32Å; R52-Q106 PolarHBondContact N-O 2.83Å; R52-Q106 PolarHBondContact O-N 2.85Å; Y54-Q106 HydrophobicContact CE1-CB 4.32Å; Y104-Q106 HydrophobicContact CD1-CB 4.12Å; Y104-Q106 HydrophobicContact CE1-CB 4Å; Y104-Q106 HydrophobicContact CE1-CG 4.32Å; Q106-D108 WeakPolarHBondContact CG-O 3.43Å; Q106-D108 PolarHBondContact NE2-O 3.5Å; Q106-S111 PolarHBondContact NE2-O 3.46Å; Q106-K112 HydrophobicContact CG-CG 4.33Å; Q106-D116 WeakPolarHBondContact CG-OD2 3.35Å
107	L	88.2	Confident	89.5	Confident	49 Å²	49	50.3 Å²	50.3	26%	0.257	24%	0.235	S	C	.	.	S	Bend	trans	-81.1	-20.3	-173	-66.5	-177.8	0	0	0	113.4	A26 F45 F49 V105 D115 D116	A26-L107 HydrophobicContact CB-CD1 4.2Å; A26-L107 HydrophobicContact CB-CD2 4.15Å; F45-L107 HydrophobicContact CE1-CD2 4.29Å; F49-L107 HydrophobicContact CE2-CD2 4.12Å; V105-L107 HydrophobicContact CG1-CD2 4.1Å; L107-D115 HydrophobicContact CD1-CB 3.8Å; L107-D115 WeakPolarHBondContact CD1-O 3.23Å; L107-D116 PolarHBondContact N-OD1 3.03Å
108	D	86.4	Confident	89.7	Confident	54 Å²	54	52.1 Å²	52.1	29%	0.289	24%	0.239	S	C	.	.	S	Bend	trans	-110.1	145.9	168.3	177.1	-107.3	0	0	0	109.7	Q106 Y110 S111	Q106-D108 WeakPolarHBondContact CG-O 3.43Å; Q106-D108 PolarHBondContact NE2-O 3.5Å; D108-Y110 PolarHBondContact O-N 3.03Å; D108-Y110 PolarHBondContact OD1-N 2.85Å; D108-S111 PolarHBondContact OD1-N 2.8Å; D108-S111 PolarHBondContact OD1-OG 2.8Å
109	K	85.7	Confident	89.7	Confident	62 Å²	62	51 Å²	51	27%	0.27	23%	0.234	S	C	.	.	S	Bend	trans	-71.1	-32.7	-176.9	-172.7	173.4	-179.5	166.3	0	112.7	R52 D68	R52-K109 HydrophobicContact CG-CG 4.5Å; R52-K109 VanDerWaalsContact CZ-O 3.3Å; R52-K109 PolarHBondContact NE-O 3.29Å; R52-K109 PolarHBondContact NH2-O 2.97Å; D68-K109 WeakPolarHBondContact OD1-CE 3.42Å; D68-K109 IonicContact OD1-NZ 3.95Å
110	Y	86.9	Confident	89.6	Confident	191 Å²	191	52.8 Å²	52.8	75%	0.749	24%	0.243	S	C	*	.	S	Bend	trans	-105.1	-30.6	-165.3	-56.6	-68.5	0	0	0	112.8	D108	D108-Y110 PolarHBondContact O-N 3.03Å; D108-Y110 PolarHBondContact OD1-N 2.85Å
111	S	88.1	Confident	89.5	Confident	64 Å²	64	50.8 Å²	50.8	45%	0.448	23%	0.233	S	C	.	.	S	Bend	trans	-125.2	141.2	-173.5	61	0	0	0	0	111.3	Q106 D108	Q106-S111 PolarHBondContact NE2-O 3.46Å; D108-S111 PolarHBondContact OD1-N 2.8Å; D108-S111 PolarHBondContact OD1-OG 2.8Å
112	K	89	Confident	89.1	Confident	103 Å²	103	51.4 Å²	51.4	45%	0.448	24%	0.237	S	C	.	.			trans	-79.5	143.3	167.9	-71.3	-179.2	-178.8	173.5	0	108.9	Y54 Y104 Q106 D116 I163	Y54-K112 WeakPolarHBondContact OH-CE 3.41Å; Y104-K112 HydrophobicContact CE1-CG 4.47Å; Q106-K112 HydrophobicContact CG-CG 4.33Å; K112-D116 WeakPolarHBondContact CA-OD2 3.36Å; K112-I163 HydrophobicContact CB-CD1 4.43Å
113	S	85.9	Confident	88.7	Confident	28 Å²	28	49.4 Å²	49.4	20%	0.196	23%	0.228	C	C	.	.			trans	-131.8	162.1	-176.3	79	0	0	0	0	111.6	D115 D116 I163	S113-D115 PolarHBondContact O-N 2.83Å; S113-D115 PolarHBondContact OG-N 2.66Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; S113-D116 VanDerWaalsContact N-CG 3.32Å; S113-D116 PolarHBondContact N-OD2 2.86Å; S113-D116 VanDerWaalsContact O-CB 3.29Å; S113-D116 WeakPolarHBondContact O-CB 3.43Å; S113-D116 PolarHBondContact O-N 2.92Å; S113-D116 PolarHBondContact OG-N 3.02Å; S113-D116 VanDerWaalsContact OG-N 3.15Å; S113-D116 PolarHBondContact OG-OD1 3.23Å; S113-I163 VanDerWaalsContact O-CD1 3.24Å; S113-I163 WeakPolarHBondContact O-CD1 3.05Å
114	R	84.8	Confident	88.2	Confident	183 Å²	183	53.6 Å²	53.6	69%	0.691	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.9	169.7	-68.3	-176.5	178	-178.4	-0.6	112.1	D116	R114-D116 VanDerWaalsContact C-N 3.33Å
115	D	83.6	Confident	87.3	Confident	107 Å²	107	56.6 Å²	56.6	57%	0.572	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.6	178.4	-63.2	-45.6	0	0	0	112.6	L107 S113 K117	L107-D115 HydrophobicContact CD1-CB 3.8Å; L107-D115 WeakPolarHBondContact CD1-O 3.23Å; S113-D115 PolarHBondContact O-N 2.83Å; S113-D115 PolarHBondContact OG-N 2.66Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; D115-K117 WeakPolarHBondContact O-CD 3.47Å; D115-K117 WeakPolarHBondContact O-CE 3.21Å; D115-K117 PolarHBondContact O-NZ 2.89Å
116	D	88.8	Confident	86.1	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	28%	0.275	C	S	.	.			trans	-54.3	151.8	173.5	-63.2	-11.3	0	0	0	111.2	Y104 V105 Q106 L107 K112 S113 R114 N160	Y104-D116 HydrophobicContact CE1-CB 3.7Å; Y104-D116 WeakPolarHBondContact CE1-OD2 3.23Å; Y104-D116 WeakPolarHBondContact OH-CB 3.38Å; Y104-D116 PolarHBondContact OH-OD2 3.47Å; Y104-D116 VanDerWaalsContact OH-OD2 3.12Å; V105-D116 WeakPolarHBondContact O-CA 2.86Å; V105-D116 WeakPolarHBondContact O-CB 3.23Å; Q106-D116 WeakPolarHBondContact CG-OD2 3.35Å; L107-D116 PolarHBondContact N-OD1 3.03Å; K112-D116 WeakPolarHBondContact CA-OD2 3.36Å; S113-D116 VanDerWaalsContact N-CG 3.32Å; S113-D116 PolarHBondContact N-OD2 2.86Å; S113-D116 VanDerWaalsContact O-CB 3.29Å; S113-D116 WeakPolarHBondContact O-CB 3.43Å; S113-D116 PolarHBondContact O-N 2.92Å; S113-D116 PolarHBondContact OG-N 3.02Å; S113-D116 VanDerWaalsContact OG-N 3.15Å; S113-D116 PolarHBondContact OG-OD1 3.23Å; R114-D116 VanDerWaalsContact C-N 3.33Å; D116-N160 PolarHBondContact O-ND2 3.05Å
117	K	88.2	Confident	84.8	Confident	41 Å²	41	62.8 Å²	62.8	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.4	-173.4	-56.2	-59.1	175.3	-141.2	0	111	V105 D115 Y119 L157	V105-K117 HydrophobicContact CB-CB 4.31Å; V105-K117 PolarHBondContact N-O 2.89Å; V105-K117 PolarHBondContact O-N 2.75Å; D115-K117 WeakPolarHBondContact O-CD 3.47Å; D115-K117 WeakPolarHBondContact O-CE 3.21Å; D115-K117 PolarHBondContact O-NZ 2.89Å; K117-Y119 HydrophobicContact CB-CD2 4.36Å; K117-Y119 HydrophobicContact CB-CE2 3.56Å; K117-L157 HydrophobicContact CB-CD1 3.89Å; K117-L157 HydrophobicContact CD-CD1 4.07Å; K117-L157 HydrophobicContact CG-CD1 4.33Å
118	R	90.6	Very high	83.3	Confident	69 Å²	69	66.2 Å²	66.2	26%	0.26	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.4	172	-72.5	171.3	72.3	174.7	3.3	109.3	E102 I103 Y104 L157 V158 N160	E102-R118 IonicContact OE1-CZ 3.67Å; E102-R118 IonicContact OE1-NE 2.68Å; E102-R118 PolarHBondContact OE1-NE 2.8Å; E102-R118 IonicContact OE1-NH2 3.52Å; E102-R118 PolarHBondContact OE1-NH2 3.08Å; E102-R118 IonicContact OE2-CZ 2.66Å; E102-R118 IonicContact OE2-NH2 3.02Å; E102-R118 PolarHBondContact OE2-NH2 2.76Å; I103-R118 CarbonylContact O-C 3.45Å; I103-R118 WeakPolarHBondContact O-CA 3.34Å; Y104-R118 HydrophobicContact CD2-CG 3.45Å; Y104-R118 VanDerWaalsContact CD2-CG 3.45Å; Y104-R118 HydrophobicContact CE2-CG 3.69Å; Y104-R118 HydrophobicContact CG-CG 4.43Å; R118-L157 WeakPolarHBondContact O-CA 3.48Å; R118-L157 WeakPolarHBondContact O-CD1 3.07Å; R118-V158 HydrophobicContact CB-CB 4.16Å; R118-V158 PolarHBondContact O-N 2.76Å; R118-N160 WeakPolarHBondContact CD-OD1 3.2Å; R118-N160 VanDerWaalsContact CG-OD1 3.26Å; R118-N160 WeakPolarHBondContact CG-OD1 3.24Å
119	Y	89.2	Confident	81.9	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.016	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	177.1	-61.3	-91.4	0	0	0	109.4	T27 V30 F43 E102 I103 V105 K117 F121 V155 Q156 L157	T27-Y119 PolarHBondContact OG1-OH 2.92Å; V30-Y119 HydrophobicContact CG2-CD1 4.46Å; V30-Y119 HydrophobicContact CG2-CE1 3.81Å; F43-Y119 AromaticContact CE1-CD2 3.9Å; F43-Y119 HydrophobicContact CE1-CD2 3.9Å; F43-Y119 AromaticContact CE1-CE2 3.61Å; F43-Y119 HydrophobicContact CE1-CE2 3.61Å; F43-Y119 HydrophobicContact CE1-CG 4.5Å; F43-Y119 AromaticContact CE1-CZ 3.97Å; F43-Y119 AromaticContact CZ-CD2 3.91Å; F43-Y119 HydrophobicContact CZ-CD2 3.91Å; F43-Y119 HydrophobicContact CZ-CE2 4.12Å; F43-Y119 HydrophobicContact CZ-CG 4.27Å; E102-Y119 CarbonylContact C-O 3.54Å; E102-Y119 WeakPolarHBondContact CA-O 3.43Å; I103-Y119 PolarHBondContact N-O 3.44Å; I103-Y119 PolarHBondContact O-N 3.44Å; V105-Y119 HydrophobicContact CB-CE2 4.25Å; V105-Y119 HydrophobicContact CG2-CD2 3.86Å; V105-Y119 HydrophobicContact CG2-CE2 3.65Å; K117-Y119 HydrophobicContact CB-CD2 4.36Å; K117-Y119 HydrophobicContact CB-CE2 3.56Å; Y119-F121 HydrophobicContact CG-CE1 4.29Å; Y119-V155 HydrophobicContact CD1-CG1 3.74Å; Y119-V155 HydrophobicContact CG-CG1 4.45Å; Y119-Q156 CarbonylContact C-O 3.59Å; Y119-Q156 VanDerWaalsContact CA-O 3.28Å; Y119-Q156 WeakPolarHBondContact CA-O 3.19Å; Y119-L157 HydrophobicContact CD1-CD1 4.15Å; Y119-L157 HydrophobicContact CE1-CD1 3.75Å; Y119-L157 HydrophobicContact CE2-CD1 4.33Å
120	I	89.4	Confident	80.2	Confident	39 Å²	39	75.9 Å²	75.9	20%	0.2	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.7	167.6	-55	175.3	0	0	0	107.2	E100 E102 V122 V155 Q156 V158	E100-I120 HydrophobicContact CG-CG2 4.17Å; E102-I120 HydrophobicContact CG-CG1 4.27Å; I120-V122 HydrophobicContact CG2-CG2 3.78Å; I120-V155 WeakPolarHBondContact O-CA 3.12Å; I120-Q156 HydrophobicContact CB-CB 4.38Å; I120-Q156 PolarHBondContact N-O 3.27Å; I120-Q156 PolarHBondContact O-N 3.28Å; I120-V158 HydrophobicContact CD1-CG2 3.53Å; I120-V158 HydrophobicContact CG1-CG2 3.72Å
121	F	90.7	Very high	78.5	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.6	172.7	-64.9	-14	0	0	0	108.8	V30 I32 I39 A41 F43 E100 N101 I103 Y119 V155	V30-F121 HydrophobicContact CG1-CE1 4Å; V30-F121 HydrophobicContact CG1-CZ 4.1Å; I32-F121 HydrophobicContact CD1-CB 3.7Å; I32-F121 HydrophobicContact CD1-CD1 4.32Å; I32-F121 HydrophobicContact CD1-CG 4.04Å; I32-F121 HydrophobicContact CG2-CD1 3.75Å; I32-F121 HydrophobicContact CG2-CD2 3.7Å; I32-F121 HydrophobicContact CG2-CE1 3.74Å; I32-F121 HydrophobicContact CG2-CE2 3.67Å; I32-F121 HydrophobicContact CG2-CG 3.74Å; I32-F121 HydrophobicContact CG2-CZ 3.69Å; I39-F121 HydrophobicContact CD1-CB 3.82Å; I39-F121 HydrophobicContact CG2-CB 4.33Å; I39-F121 HydrophobicContact CG2-CD2 4.05Å; A41-F121 HydrophobicContact CB-CD2 4.28Å; A41-F121 HydrophobicContact CB-CE2 3.41Å; A41-F121 VanDerWaalsContact CB-CE2 3.41Å; A41-F121 HydrophobicContact CB-CZ 3.99Å; F43-F121 HydrophobicContact CE2-CE2 4.29Å; F43-F121 AromaticContact CE2-CZ 3.61Å; F43-F121 HydrophobicContact CE2-CZ 3.61Å; F43-F121 HydrophobicContact CZ-CE1 4.47Å; F43-F121 AromaticContact CZ-CZ 3.76Å; F43-F121 HydrophobicContact CZ-CZ 3.76Å; E100-F121 CarbonylContact C-O 3.53Å; E100-F121 WeakPolarHBondContact CA-O 3.43Å; N101-F121 PolarHBondContact N-O 2.91Å; N101-F121 PolarHBondContact O-N 2.89Å; I103-F121 HydrophobicContact CB-CE2 4.29Å; I103-F121 HydrophobicContact CB-CZ 4.39Å; I103-F121 HydrophobicContact CD1-CD2 4.43Å; I103-F121 HydrophobicContact CD1-CE2 4.34Å; I103-F121 HydrophobicContact CG1-CD2 3.59Å; I103-F121 HydrophobicContact CG1-CE2 3.36Å; I103-F121 HydrophobicContact CG1-CG 4.32Å; I103-F121 HydrophobicContact CG1-CZ 3.93Å; Y119-F121 HydrophobicContact CG-CE1 4.29Å; F121-V155 HydrophobicContact CD1-CB 4.24Å; F121-V155 HydrophobicContact CD1-CG1 3.79Å; F121-V155 HydrophobicContact CD1-CG2 3.81Å; F121-V155 HydrophobicContact CE1-CB 4.38Å; F121-V155 HydrophobicContact CE1-CG1 3.6Å; F121-V155 HydrophobicContact CE1-CG2 3.97Å
122	V	87.9	Confident	76.7	Confident	15 Å²	15	81 Å²	81	9%	0.091	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.5	178.1	-178	0	0	0	0	109.5	L99 E100 I120 K124 L154	L99-V122 CarbonylContact O-C 3.56Å; L99-V122 VanDerWaalsContact O-CA 3.31Å; L99-V122 WeakPolarHBondContact O-CA 3.32Å; E100-V122 HydrophobicContact CB-CG2 4.36Å; E100-V122 HydrophobicContact CG-CG2 4.12Å; I120-V122 HydrophobicContact CG2-CG2 3.78Å; V122-K124 HydrophobicContact CG1-CD 3.84Å; V122-K124 HydrophobicContact CG1-CG 3.75Å; V122-L154 HydrophobicContact CB-CB 4.15Å; V122-L154 HydrophobicContact CG1-CD1 4.5Å; V122-L154 PolarHBondContact N-O 3.07Å; V122-L154 PolarHBondContact O-N 3.21Å
123	C	86.8	Confident	74.9	Confident	3 Å²	3	79.2 Å²	79.2	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	166.8	-45.1	0	0	0	0	106.8	C34 H98 L99	C34-C123 HydrophobicContact CB-CB 3.56Å; C34-C123 WeakPolarHBondContact CB-SG 3.1Å; C34-C123 WeakPolarHBondContact SG-CB 3.42Å; C34-C123 CovalentContact SG-SG 1.99Å; C34-C123 PolarHBondContact SG-SG 3.37Å; H98-C123 CarbonylContact C-O 3.58Å; H98-C123 WeakPolarHBondContact CA-O 3.47Å; L99-C123 HydrophobicContact CB-CB 4.03Å; L99-C123 PolarHBondContact N-O 3.49Å; L99-C123 PolarHBondContact O-N 3.15Å
124	K	84.3	Confident	73	Confident	88 Å²	88	81.1 Å²	81.1	38%	0.383	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.8	176.1	-80.2	171.6	176.6	177.4	0	109.9	V97 H98 V122 K126 Q151 T152	V97-K124 CarbonylContact O-C 3.46Å; V97-K124 WeakPolarHBondContact O-CA 3.04Å; H98-K124 HydrophobicContact CB-CG 4.45Å; H98-K124 WeakPolarHBondContact CE1-CE 3.37Å; H98-K124 WeakPolarHBondContact ND1-CE 3.44Å; H98-K124 WeakPolarHBondContact ND1-CG 3.32Å; V122-K124 HydrophobicContact CG1-CD 3.84Å; V122-K124 HydrophobicContact CG1-CG 3.75Å; K124-K126 PolarHBondContact O-N 3.12Å; K124-Q151 CarbonylContact O-C 3.55Å; K124-Q151 VanDerWaalsContact O-CA 3.31Å; K124-Q151 WeakPolarHBondContact O-CA 3.39Å; K124-T152 PolarHBondContact N-O 3.15Å; K124-T152 PolarHBondContact O-N 3.06Å
125	E	73.5	Confident	71.3	Confident	84 Å²	84	78.9 Å²	78.9	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.4	164.3	-170.9	172.6	-132.2	0	0	109	V97	V97-E125 HydrophobicContact CB-CB 3.98Å; V97-E125 HydrophobicContact CG1-CB 4.25Å; V97-E125 WeakPolarHBondContact CG1-OE2 3.43Å; V97-E125 PolarHBondContact O-N 2.75Å
126	K	68.5	Low	69.5	Low	71 Å²	71	81.2 Å²	81.2	31%	0.309	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63.4	126.8	177	-173.2	-179.2	179	-172.8	0	107.6	K124 E129 F147 E150	K124-K126 PolarHBondContact O-N 3.12Å; K126-E129 WeakPolarHBondContact CE-OE1 3.29Å; K126-E129 IonicContact NZ-OE1 2.66Å; K126-E129 PolarHBondContact NZ-OE1 2.93Å; K126-F147 HydrophobicContact CD-CD1 4.32Å; K126-F147 HydrophobicContact CD-CE1 4.47Å; K126-F147 HydrophobicContact CG-CD1 4.48Å; K126-F147 HydrophobicContact CG-CE1 4.28Å; K126-E150 WeakPolarHBondContact CB-O 3.43Å; K126-E150 PolarHBondContact N-O 2.76Å
127	P	64.1	Low	67.3	Low	61 Å²	61	88 Å²	88	40%	0.396	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.7	174.1	25.5	-32.5	0	0	0	108.9	E129	P127-E129 PolarHBondContact O-N 3.5Å
128	P	57.1	Low	65.3	Low	121 Å²	121	94.8 Å²	94.8	79%	0.786	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-56.3	120.1	173.1	22.8	-31.4	0	0	0	108.1	R130	P128-R130 PolarHBondContact O-N 2.81Å
129	E	57.5	Low	63.2	Low	136 Å²	136	99.2 Å²	99.2	64%	0.636	48%	0.475	S	S	*	.			trans	-61.5	102.7	-176.8	-77.4	-178.2	173.5	0	0	109.7	K126 P127	K126-E129 WeakPolarHBondContact CE-OE1 3.29Å; K126-E129 IonicContact NZ-OE1 2.66Å; K126-E129 PolarHBondContact NZ-OE1 2.93Å; P127-E129 PolarHBondContact O-N 3.5Å
130	R	49.9	Very low	61.1	Low	183 Å²	183	107.2 Å²	107.2	69%	0.691	51%	0.509	S	S	*	.			trans	-76.2	125.1	154.7	-87.8	-169.7	-88.2	-159.7	-6	107.2	P128 E132 Q133	P128-R130 PolarHBondContact O-N 2.81Å; R130-E132 PolarHBondContact O-N 2.85Å; R130-Q133 HydrophobicContact CB-CG 4.49Å; R130-Q133 PolarHBondContact O-N 2.68Å
131	H	50.8	Low	58.8	Low	188 Å²	188	113.8 Å²	113.8	87%	0.87	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	-24.8	-173.3	-93.3	-93.4	0	0	0	115.3
132	E	51	Low	56.7	Low	174 Å²	174	121.7 Å²	121.7	81%	0.813	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-20.1	179.6	-72.4	173.7	150.1	0	0	114.9	R130	R130-E132 PolarHBondContact O-N 2.85Å
133	Q	51	Low	54.8	Low	66 Å²	66	123.5 Å²	123.5	31%	0.308	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-84.2	-20.6	-172.8	-67.3	-173.2	-3.7	0	0	113.4	R130 L135 Q136 W137	R130-Q133 HydrophobicContact CB-CG 4.49Å; R130-Q133 PolarHBondContact O-N 2.68Å; Q133-L135 PolarHBondContact O-N 2.82Å; Q133-Q136 PolarHBondContact O-N 3.12Å; Q133-Q136 VanDerWaalsContact O-N 3.12Å; Q133-W137 PolarHBondContact O-NE1 2.86Å
134	S	46.3	Very low	53	Low	67 Å²	67	126.9 Å²	126.9	47%	0.469	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-61.7	-21.5	-174.6	90.4	0	0	0	0	114.2
135	L	47.7	Very low	51.1	Low	136 Å²	136	125.8 Å²	125.8	71%	0.712	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-83.8	-29.2	179.4	-74.1	161.2	0	0	0	113.2	Q133	Q133-L135 PolarHBondContact O-N 2.82Å
136	Q	46.6	Very low	49.8	Very low	156 Å²	156	124.6 Å²	124.6	73%	0.729	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-29.7	-174.1	-148.5	176.3	24.5	0	0	112.8	Q133 K138	Q133-Q136 PolarHBondContact O-N 3.12Å; Q133-Q136 VanDerWaalsContact O-N 3.12Å; Q136-K138 VanDerWaalsContact C-N 3.3Å; Q136-K138 PolarHBondContact O-N 3.4Å
137	W	42.8	Very low	48.6	Very low	145 Å²	145	126.7 Å²	126.7	55%	0.549	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-17.4	-178.1	-57.2	109.9	0	0	0	114.3	Q133 M139	Q133-W137 PolarHBondContact O-NE1 2.86Å; W137-M139 VanDerWaalsContact C-N 3.33Å; W137-M139 PolarHBondContact O-N 2.88Å
138	K	46.4	Very low	47.7	Very low	184 Å²	184	124.8 Å²	124.8	80%	0.8	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-9.7	-179.9	-79.9	-178.8	175.5	177	0	114.3	Q136	Q136-K138 VanDerWaalsContact C-N 3.3Å; Q136-K138 PolarHBondContact O-N 3.4Å
139	M	45.5	Very low	47.6	Very low	162 Å²	162	121.3 Å²	121.3	80%	0.798	58%	0.584	S	S	*	*			trans	-103.3	-5.5	-168.2	-87.8	179.9	132	0	0	116.4	W137 Q141	W137-M139 VanDerWaalsContact C-N 3.33Å; W137-M139 PolarHBondContact O-N 2.88Å; M139-Q141 PolarHBondContact O-N 2.94Å
140	K	45.9	Very low	47.6	Very low	172 Å²	172	121.1 Å²	121.1	75%	0.748	58%	0.584	S	S	*	*			trans	-90.3	82.9	174.5	-86.1	-175.9	173.3	-179	0	111	D142	K140-D142 PolarHBondContact O-N 2.85Å
141	Q	39.6	Very low	47.8	Very low	178 Å²	178	115 Å²	115	83%	0.832	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	106.2	174.7	-70.1	-178.1	-46.5	0	0	110.2	M139	M139-Q141 PolarHBondContact O-N 2.94Å
142	D	46.8	Very low	48.3	Very low	166 Å²	166	106.5 Å²	106.5	89%	0.888	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	170	-9.3	159.1	-91.4	-16.6	0	0	0	109.7	K140	K140-D142 PolarHBondContact O-N 2.85Å
143	I	49.7	Very low	48.9	Very low	53 Å²	53	98.4 Å²	98.4	27%	0.272	49%	0.487	S	S	.	.	S	Bend	trans	-112.6	117.9	174.8	-56.5	169.2	0	0	0	107.7	H145 L154	I143-H145 WeakPolarHBondContact CG2-NE2 3.35Å; I143-H145 PolarHBondContact O-CD2 3.25Å; I143-H145 VanDerWaalsContact O-CD2 3.28Å; I143-H145 PolarHBondContact O-N 3.15Å; I143-L154 HydrophobicContact CG2-CB 4.23Å; I143-L154 HydrophobicContact CG2-CD1 4.44Å; I143-L154 HydrophobicContact CG2-CD2 3.65Å; I143-L154 HydrophobicContact CG2-CG 4.32Å
144	V	49.1	Very low	49.9	Very low	74 Å²	74	96.2 Å²	96.2	45%	0.448	48%	0.477	S	S	.	.			trans	-77.2	97.1	170.3	-172.7	0	0	0	0	107.3	F21 N146	F21-V144 HydrophobicContact CD1-CB 3.91Å; F21-V144 HydrophobicContact CD1-CG2 3.92Å; F21-V144 HydrophobicContact CE1-CB 3.36Å; F21-V144 HydrophobicContact CE1-CG1 4.41Å; F21-V144 HydrophobicContact CE1-CG2 3.82Å; F21-V144 HydrophobicContact CZ-CB 3.88Å; F21-V144 WeakPolarHBondContact CZ-O 3.29Å; V144-N146 PolarHBondContact O-N 2.82Å
145	H	44.3	Very low	51.1	Low	64 Å²	64	93.1 Å²	93.1	30%	0.296	46%	0.455	S	S	.	.			trans	-76	116	171	-68.3	-98.3	0	0	0	108.8	I143 L154	I143-H145 WeakPolarHBondContact CG2-NE2 3.35Å; I143-H145 PolarHBondContact O-CD2 3.25Å; I143-H145 VanDerWaalsContact O-CD2 3.28Å; I143-H145 PolarHBondContact O-N 3.15Å; H145-L154 HydrophobicContact CB-CD2 3.97Å; H145-L154 VanDerWaalsContact CE1-CD2 3.41Å; H145-L154 WeakPolarHBondContact CE1-CD2 3.26Å; H145-L154 VanDerWaalsContact CG-CD2 3.45Å; H145-L154 WeakPolarHBondContact ND1-CD2 2.97Å
146	N	45.3	Very low	52.4	Low	60 Å²	60	90.7 Å²	90.7	32%	0.321	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.3	165.3	-119	16.6	0	0	0	108.5	F18 A19 V144 V153	F18-N146 PolarHBondContact O-ND2 3.28Å; A19-N146 HydrophobicContact CB-CB 4.05Å; V144-N146 PolarHBondContact O-N 2.82Å; N146-V153 PolarHBondContact N-O 2.97Å; N146-V153 PolarHBondContact O-N 3.15Å
147	F	43.7	Very low	53.6	Low	115 Å²	115	87.2 Å²	87.2	50%	0.504	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.4	173.8	-74.5	-82.6	0	0	0	109.5	K126 T152	K126-F147 HydrophobicContact CD-CD1 4.32Å; K126-F147 HydrophobicContact CD-CE1 4.47Å; K126-F147 HydrophobicContact CG-CD1 4.48Å; K126-F147 HydrophobicContact CG-CE1 4.28Å; F147-T152 HydrophobicContact CE1-CG2 4.34Å; F147-T152 WeakPolarHBondContact CE1-OG1 3.39Å
148	Q	45.5	Very low	55.1	Low	20 Å²	20	82.1 Å²	82.1	9%	0.093	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	92.4	-171.6	-73.2	-163.6	-22.9	0	0	110	S17 F18 Q151 V153	S17-Q148 VanDerWaalsContact CB-NE2 3.25Å; S17-Q148 VanDerWaalsContact CB-OE1 3.25Å; S17-Q148 PolarHBondContact O-OE1 3.41Å; F18-Q148 PolarHBondContact O-NE2 3.35Å; Q148-Q151 CarbonylContact C-O 3.51Å; Q148-Q151 PolarHBondContact N-O 2.73Å; Q148-Q151 PolarHBondContact O-N 3.28Å; Q148-Q151 VanDerWaalsContact O-O 3.05Å; Q148-V153 HydrophobicContact CB-CG2 4.34Å
149	G	55.2	Low	56.1	Low	48 Å²	48	77.6 Å²	77.6	50%	0.495	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-134.9	-171.1	0	0	0	0	0	112.2	Q151	G149-Q151 PolarHBondContact O-N 3.22Å
150	E	56.4	Low	56.8	Low	133 Å²	133	71.6 Å²	71.6	62%	0.621	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	2.7	177.4	-64.2	-178.2	165.1	0	0	113	K126	K126-E150 WeakPolarHBondContact CB-O 3.43Å; K126-E150 PolarHBondContact N-O 2.76Å
151	Q	54.7	Low	56.9	Low	53 Å²	53	69.3 Å²	69.3	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	-177.9	-64.3	-173.6	-6.5	0	0	112.2	K124 Q148 G149	K124-Q151 CarbonylContact O-C 3.55Å; K124-Q151 VanDerWaalsContact O-CA 3.31Å; K124-Q151 WeakPolarHBondContact O-CA 3.39Å; Q148-Q151 CarbonylContact C-O 3.51Å; Q148-Q151 PolarHBondContact N-O 2.73Å; Q148-Q151 PolarHBondContact O-N 3.28Å; Q148-Q151 VanDerWaalsContact O-O 3.05Å; G149-Q151 PolarHBondContact O-N 3.22Å
152	T	61.3	Low	57	Low	11 Å²	11	64.1 Å²	64.1	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.7	171.8	-54.5	0	0	0	0	108.1	K124 F147 L154	K124-T152 PolarHBondContact N-O 3.15Å; K124-T152 PolarHBondContact O-N 3.06Å; F147-T152 HydrophobicContact CE1-CG2 4.34Å; F147-T152 WeakPolarHBondContact CE1-OG1 3.39Å; T152-L154 HydrophobicContact CG2-CD2 3.97Å; T152-L154 HydrophobicContact CG2-CG 4.21Å
153	V	63.9	Low	56.6	Low	4 Å²	4	58.8 Å²	58.8	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.3	179.7	178.7	0	0	0	0	109.3	A19 I32 N146 Q148	A19-V153 HydrophobicContact CB-CB 4.49Å; A19-V153 HydrophobicContact CB-CG1 3.92Å; I32-V153 HydrophobicContact CD1-CG1 3.61Å; I32-V153 HydrophobicContact CG1-CG1 3.15Å; N146-V153 PolarHBondContact N-O 2.97Å; N146-V153 PolarHBondContact O-N 3.15Å; Q148-V153 HydrophobicContact CB-CG2 4.34Å
154	L	70.9	Confident	55.9	Low	19 Å²	19	60.1 Å²	60.1	10%	0.099	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136	-178.5	-48.3	170.6	0	0	0	110.3	V122 I143 H145 T152	V122-L154 HydrophobicContact CB-CB 4.15Å; V122-L154 HydrophobicContact CG1-CD1 4.5Å; V122-L154 PolarHBondContact N-O 3.07Å; V122-L154 PolarHBondContact O-N 3.21Å; I143-L154 HydrophobicContact CG2-CB 4.23Å; I143-L154 HydrophobicContact CG2-CD1 4.44Å; I143-L154 HydrophobicContact CG2-CD2 3.65Å; I143-L154 HydrophobicContact CG2-CG 4.32Å; H145-L154 HydrophobicContact CB-CD2 3.97Å; H145-L154 VanDerWaalsContact CE1-CD2 3.41Å; H145-L154 WeakPolarHBondContact CE1-CD2 3.26Å; H145-L154 VanDerWaalsContact CG-CD2 3.45Å; H145-L154 WeakPolarHBondContact ND1-CD2 2.97Å; T152-L154 HydrophobicContact CG2-CD2 3.97Å; T152-L154 HydrophobicContact CG2-CG 4.21Å
155	V	71.8	Confident	55.1	Low	3 Å²	3	63.3 Å²	63.3	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.4	164.6	179.6	0	0	0	0	106.3	F21 V30 I32 Y119 I120 F121	F21-V155 HydrophobicContact CD1-CB 4.04Å; F21-V155 HydrophobicContact CD2-CB 3.57Å; F21-V155 HydrophobicContact CD2-CG1 4.31Å; F21-V155 HydrophobicContact CD2-CG2 3.67Å; F21-V155 HydrophobicContact CE1-CB 3.73Å; F21-V155 WeakPolarHBondContact CE1-O 3.44Å; F21-V155 HydrophobicContact CE2-CB 3.27Å; F21-V155 HydrophobicContact CE2-CG1 4.43Å; F21-V155 HydrophobicContact CE2-CG2 3.29Å; F21-V155 HydrophobicContact CG-CB 3.97Å; F21-V155 HydrophobicContact CG-CG1 4.4Å; F21-V155 HydrophobicContact CZ-CB 3.38Å; F21-V155 HydrophobicContact CZ-CG2 3.87Å; F21-V155 WeakPolarHBondContact CZ-O 3.48Å; V30-V155 HydrophobicContact CG1-CG1 4.21Å; I32-V155 HydrophobicContact CD1-CG2 3.98Å; I32-V155 HydrophobicContact CG1-CG2 4.02Å; I32-V155 HydrophobicContact CG2-CG2 3.9Å; Y119-V155 HydrophobicContact CD1-CG1 3.74Å; Y119-V155 HydrophobicContact CG-CG1 4.45Å; I120-V155 WeakPolarHBondContact O-CA 3.12Å; F121-V155 HydrophobicContact CD1-CB 4.24Å; F121-V155 HydrophobicContact CD1-CG1 3.79Å; F121-V155 HydrophobicContact CD1-CG2 3.81Å; F121-V155 HydrophobicContact CE1-CB 4.38Å; F121-V155 HydrophobicContact CE1-CG1 3.6Å; F121-V155 HydrophobicContact CE1-CG2 3.97Å
156	Q	74.5	Confident	54.6	Low	84 Å²	84	68.2 Å²	68.2	39%	0.393	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.2	176.5	-176.5	177.2	-18	0	0	108.9	Y119 I120 V158	Y119-Q156 CarbonylContact C-O 3.59Å; Y119-Q156 VanDerWaalsContact CA-O 3.28Å; Y119-Q156 WeakPolarHBondContact CA-O 3.19Å; I120-Q156 HydrophobicContact CB-CB 4.38Å; I120-Q156 PolarHBondContact N-O 3.27Å; I120-Q156 PolarHBondContact O-N 3.28Å; Q156-V158 HydrophobicContact CG-CG2 4.46Å
157	L	73.6	Confident	54.1	Low	84 Å²	84	75 Å²	75	44%	0.44	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.3	168.9	-178.5	69.6	0	0	0	108.6	K117 R118 Y119	K117-L157 HydrophobicContact CB-CD1 3.89Å; K117-L157 HydrophobicContact CD-CD1 4.07Å; K117-L157 HydrophobicContact CG-CD1 4.33Å; R118-L157 WeakPolarHBondContact O-CA 3.48Å; R118-L157 WeakPolarHBondContact O-CD1 3.07Å; Y119-L157 HydrophobicContact CD1-CD1 4.15Å; Y119-L157 HydrophobicContact CE1-CD1 3.75Å; Y119-L157 HydrophobicContact CE2-CD1 4.33Å
158	V	73.9	Confident	53.5	Low	38 Å²	38	73.5 Å²	73.5	23%	0.23	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.4	178.6	-172.9	0	0	0	0	108.8	R118 I120 Q156	R118-V158 HydrophobicContact CB-CB 4.16Å; R118-V158 PolarHBondContact O-N 2.76Å; I120-V158 HydrophobicContact CD1-CG2 3.53Å; I120-V158 HydrophobicContact CG1-CG2 3.72Å; Q156-V158 HydrophobicContact CG-CG2 4.46Å
159	S	67.2	Low	52.7	Low	88 Å²	88	78.9 Å²	78.9	62%	0.615	46%	0.464	S	S	*	.			trans	-68.6	139.9	174	50.7	0	0	0	0	110.7	T161	S159-T161 PolarHBondContact O-N 2.89Å
160	N	58.8	Low	51.5	Low	37 Å²	37	86 Å²	86	20%	0.198	49%	0.485	C	S	.	.			trans	-75.2	93.7	170.5	-74.7	-9.5	0	0	0	108.9	Y104 D116 R118	Y104-N160 PolarHBondContact OH-ND2 3.28Å; D116-N160 PolarHBondContact O-ND2 3.05Å; R118-N160 WeakPolarHBondContact CD-OD1 3.2Å; R118-N160 VanDerWaalsContact CG-OD1 3.26Å; R118-N160 WeakPolarHBondContact CG-OD1 3.24Å
161	T	49.3	Very low	50.2	Low	123 Å²	123	85.5 Å²	85.5	76%	0.755	50%	0.496	S	S	*	.			trans	-83.9	109.7	169.7	49.7	0	0	0	0	109	S159	S159-T161 PolarHBondContact O-N 2.89Å
162	G	40.7	Very low	48.9	Very low	69 Å²	69	94.7 Å²	94.7	71%	0.711	53%	0.528	S	S	*	.			trans	104.4	47.8	163.9	0	0	0	0	0	118.3	S164	G162-S164 PolarHBondContact O-N 2.9Å
163	I	40	Very low	47.4	Very low	54 Å²	54	102 Å²	102	28%	0.277	57%	0.566	S	S	.	*			trans	-81.6	84.8	149.3	-55.8	173	0	0	0	106.1	K112 S113	K112-I163 HydrophobicContact CB-CD1 4.43Å; S113-I163 VanDerWaalsContact O-CD1 3.24Å; S113-I163 WeakPolarHBondContact O-CD1 3.05Å
164	S	34.2	Very low	46.7	Very low	82 Å²	82	117.7 Å²	117.7	57%	0.573	63%	0.625	S	S	*	*			trans	-66.5	135	156.3	45.9	0	0	0	0	107.3	G162 E166	G162-S164 PolarHBondContact O-N 2.9Å; S164-E166 VanDerWaalsContact C-N 3.35Å; S164-E166 PolarHBondContact O-N 3.21Å
165	N	31.3	Very low	45.5	Very low	141 Å²	141	122.6 Å²	122.6	75%	0.754	65%	0.651	S	S	*	*	S	Bend	trans	-64.4	93.5	176.6	-60.6	-29.4	0	0	0	108.6
166	E	35.5	Very low	44.1	Very low	166 Å²	166	128.9 Å²	128.9	78%	0.776	69%	0.685	S	S	*	*			trans	-137.5	27.8	177.6	-137	171.1	161.2	0	0	113.2	S164	S164-E166 VanDerWaalsContact C-N 3.35Å; S164-E166 PolarHBondContact O-N 3.21Å
167	E	34.7	Very low	42.4	Very low	203 Å²	203	131.4 Å²	131.4	95%	0.949	70%	0.701	S	S	*	*			trans	-135.6	65.2	156.7	-85.7	-176	139.9	0	0	108.4
168	A	30.3	Very low	40.5	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	72%	0.716	S	S	*	*			trans	-127	47.7	168.3	0	0	0	0	0	109.4
169	T	29.1	Very low	38.5	Very low	132 Å²	132	140.2 Å²	140.2	81%	0.81	75%	0.747	S	S	*	*			trans	-154.5	54.6	-178.6	-19.4	0	0	0	0	114
170	E	29.6	Very low	36.5	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	76%	0.756	S	S	*	*			trans	-162.5	70.4	157.8	-127	177.7	176.7	0	0	113.8
171	S	29.5	Very low	35	Very low	123 Å²	123	151.3 Å²	151.3	86%	0.86	80%	0.795	S	S	*	*			trans	-166.4	73.8	157.9	45.8	0	0	0	0	110.8
172	R	27.9	Very low	33.9	Very low	245 Å²	245	153.5 Å²	153.5	93%	0.925	80%	0.799	S	S	*	*			trans	-137.4	86.6	156.6	-107.9	-171.9	-175.4	-178.9	2.3	108.1
173	L	29.7	Very low	33.3	Very low	166 Å²	166	160.5 Å²	160.5	87%	0.869	81%	0.806	S	S	*	*			trans	-137.8	91.5	157.8	-85.2	168.6	0	0	0	105.3
174	W	47.7	Very low	32.7	Very low	332 Å²	332	170.2 Å²	170.2	100%	1.258	85%	0.854	S	S	*	*			trans	166.3	0	147.8	-77.2	112.8	0	0	0	107

Retrieved 174 of 174 residues in 183.9 ms (Link to these results)

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