A0A5K4F2X7_SCHMA Loading...

Peptidase A1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2X7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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	35	Very low	40.5	Very low	237 Å²	237	177.2 Å²	177.2	100%	1.167	82%	0.823	S	S	*	*				0	107.4	0	-61.5	174.4	-152.8	0	0	108.8
2	R	38	Very low	41.4	Very low	252 Å²	252	175.4 Å²	175.4	95%	0.951	82%	0.824	S	S	*	*			trans	-125.4	103.5	155.1	-86.7	-170.3	-168.2	-172.3	4.5	105.2	S4	R2-S4 PolarHBondContact O-N 3Å
3	N	38.4	Very low	43.3	Very low	142 Å²	142	165.6 Å²	165.6	76%	0.759	78%	0.783	S	S	*	*			trans	-63.6	127.4	173.9	-75.9	-20.2	0	0	0	108.3	M5	N3-M5 PolarHBondContact O-N 3.4Å
4	S	42.3	Very low	45.4	Very low	104 Å²	104	159.4 Å²	159.4	73%	0.727	77%	0.767	S	S	*	*			trans	-61.8	96.6	168.6	55.6	0	0	0	0	108.9	R2	R2-S4 PolarHBondContact O-N 3Å
5	M	40.4	Very low	47.6	Very low	158 Å²	158	151.1 Å²	151.1	78%	0.778	73%	0.73	S	S	*	*			trans	-95.1	14.7	-172.2	-126.7	-173.3	-49.3	0	0	115.1	N3	N3-M5 PolarHBondContact O-N 3.4Å
6	Y	39.7	Very low	49.9	Very low	198 Å²	198	147.9 Å²	147.9	78%	0.776	73%	0.725	S	S	*	*			trans	-133.2	83.2	171.5	-58.9	-77.6	0	0	0	109.2	W8	Y6-W8 PolarHBondContact O-N 3.04Å
7	Q	32.6	Very low	52	Low	181 Å²	181	142.2 Å²	142.2	85%	0.846	70%	0.696	S	S	*	*			trans	-75.6	99.9	158.5	-70.1	-162.5	1.3	0	0	106.6	N9	Q7-N9 PolarHBondContact O-N 3.24Å
8	W	39.7	Very low	54	Low	174 Å²	174	143.6 Å²	143.6	66%	0.659	70%	0.701	S	S	*	*			trans	-58.9	107.8	173.6	-64.5	89.2	0	0	0	108.8	Y6 K10 D163 I165	Y6-W8 PolarHBondContact O-N 3.04Å; W8-K10 PolarHBondContact O-N 3.11Å; W8-K10 VanDerWaalsContact O-N 3.11Å; W8-D163 WeakPolarHBondContact CZ3-OD2 3.19Å; W8-I165 HydrophobicContact CH2-CD1 4.16Å
9	N	42.5	Very low	56	Low	152 Å²	152	137.8 Å²	137.8	81%	0.813	67%	0.673	S	S	*	*			trans	-64.7	113.1	168.4	-110.1	-20.8	0	0	0	107.1	Q7 Q11	Q7-N9 PolarHBondContact O-N 3.24Å; N9-Q11 PolarHBondContact O-N 3.48Å
10	K	45.5	Very low	57.6	Low	208 Å²	208	135 Å²	135	90%	0.904	66%	0.66	S	S	*	*			trans	-69	34.1	178.1	-76.2	-175	174	-180	0	113.6	W8 N12	W8-K10 PolarHBondContact O-N 3.11Å; W8-K10 VanDerWaalsContact O-N 3.11Å; K10-N12 PolarHBondContact O-N 2.82Å
11	Q	51.1	Low	59	Low	143 Å²	143	129.6 Å²	129.6	67%	0.668	63%	0.634	S	S	*	*			trans	-83.7	113.5	160	-67.7	-164.3	-7.6	0	0	105.5	N9 T13	N9-Q11 PolarHBondContact O-N 3.48Å; Q11-T13 HydrophobicContact CB-CG2 3.97Å; Q11-T13 PolarHBondContact O-N 2.72Å
12	N	51.4	Low	61.3	Low	156 Å²	156	120.5 Å²	120.5	83%	0.834	59%	0.589	S	S	*	*			trans	-65.9	82.7	175.7	-132.2	19.5	0	0	0	107.2	K10 S14	K10-N12 PolarHBondContact O-N 2.82Å; N12-S14 PolarHBondContact O-N 2.75Å
13	T	66.6	Low	63.4	Low	48 Å²	48	114.6 Å²	114.6	29%	0.294	57%	0.572	S	S	.	*			trans	-91.3	26.1	-179.3	55.8	0	0	0	0	111.3	Q11 N161 M162	Q11-T13 HydrophobicContact CB-CG2 3.97Å; Q11-T13 PolarHBondContact O-N 2.72Å; T13-N161 WeakPolarHBondContact CB-O 3.44Å; T13-N161 HydrophobicContact CG2-CB 4.31Å; T13-N161 VanDerWaalsContact CG2-O 3.28Å; T13-N161 WeakPolarHBondContact CG2-O 3.02Å; T13-N161 PolarHBondContact OG1-O 2.99Å; T13-M162 WeakPolarHBondContact O-CE 3.45Å; T13-M162 WeakPolarHBondContact O-CG 3.35Å
14	S	72	Confident	65.5	Low	79 Å²	79	109.7 Å²	109.7	55%	0.552	55%	0.546	S	S	*	.			trans	-77.7	135.2	171.9	60.5	0	0	0	0	110.4	N12 P16	N12-S14 PolarHBondContact O-N 2.75Å; S14-P16 WeakPolarHBondContact O-CD 3.28Å
15	T	79.1	Confident	67.3	Low	35 Å²	35	112.5 Å²	112.5	22%	0.215	55%	0.545	C	S	.	.			trans	-105.1	97.6	163.8	-62.8	0	0	0	0	108.4	D107 S108 L109 M162	T15-D107 HydrophobicContact CG2-CB 3.9Å; T15-D107 WeakPolarHBondContact CG2-OD2 3.32Å; T15-S108 WeakPolarHBondContact CG2-OG 3.44Å; T15-L109 HydrophobicContact CG2-CD1 3.93Å; T15-L109 HydrophobicContact CG2-CG 3.77Å; T15-L109 WeakPolarHBondContact OG1-CG 3.34Å; T15-M162 WeakPolarHBondContact OG1-CE 3.48Å
16	P	83.5	Confident	69.3	Low	100 Å²	100	105.3 Å²	105.3	65%	0.649	51%	0.509	S	S	*	.			trans	-71.5	130.4	177.2	29.5	-32.7	0	0	0	110.3	S14	S14-P16 WeakPolarHBondContact O-CD 3.28Å
17	E	85.5	Confident	71.6	Confident	51 Å²	51	97.5 Å²	97.5	24%	0.238	48%	0.479	C	S	.	.			trans	-109.6	129.3	166.9	175.4	59.6	-156.6	0	0	108.1	L19 E30 F44 I106	E17-L19 PolarHBondContact O-N 2.73Å; E17-E30 PolarHBondContact OE1-N 3.24Å; E17-E30 VanDerWaalsContact OE1-N 3.1Å; E17-F44 HydrophobicContact CG-CE2 4.21Å; E17-F44 HydrophobicContact CG-CZ 4.14Å; E17-I106 HydrophobicContact CB-CG2 3.78Å; E17-I106 HydrophobicContact CG-CG2 3.89Å
18	Q	89.5	Confident	74.4	Confident	166 Å²	166	90 Å²	90	78%	0.776	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-77	123.5	179	-175	176	2.1	0	0	110.2
19	L	90.5	Very high	77	Confident	35 Å²	35	81.8 Å²	81.8	18%	0.183	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-92	139.9	172.4	-57.2	178.1	0	0	0	111.3	E17 Y28 F44 F168 L170	E17-L19 PolarHBondContact O-N 2.73Å; L19-Y28 CarbonylContact C-O 3.58Å; L19-Y28 WeakPolarHBondContact CA-O 3.48Å; L19-F44 HydrophobicContact CD2-CD2 3.6Å; L19-F44 HydrophobicContact CD2-CE2 3.6Å; L19-F168 HydrophobicContact CD1-CD1 3.61Å; L19-F168 HydrophobicContact CD1-CE1 4.24Å; L19-L170 HydrophobicContact CD1-CD2 4.32Å
20	I	89	Confident	79.5	Confident	80 Å²	80	77.7 Å²	77.7	41%	0.41	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.1	172.1	-61.4	165.1	0	0	0	107.8	Y27 Y28	I20-Y27 WeakPolarHBondContact O-CA 3.5Å; I20-Y28 HydrophobicContact CB-CD2 4.32Å; I20-Y28 HydrophobicContact CB-CE1 4.14Å; I20-Y28 HydrophobicContact CB-CE2 3.9Å; I20-Y28 HydrophobicContact CD1-CD2 4.36Å; I20-Y28 HydrophobicContact CD1-CE2 3.64Å; I20-Y28 HydrophobicContact CG1-CE2 4.33Å; I20-Y28 HydrophobicContact CG2-CE1 4.01Å; I20-Y28 HydrophobicContact CG2-CE2 4.24Å; I20-Y28 PolarHBondContact N-O 3.42Å; I20-Y28 PolarHBondContact O-N 2.93Å; I20-Y28 VanDerWaalsContact O-N 3.13Å
21	N	86.2	Confident	81.9	Confident	22 Å²	22	67.8 Å²	67.8	12%	0.118	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.7	172.2	176.3	-7.9	0	0	0	110	N24 Y27 N171	N21-N24 PolarHBondContact ND2-OD1 3.37Å; N21-N24 WeakPolarHBondContact OD1-CA 3.11Å; N21-N24 PolarHBondContact OD1-N 3.03Å; N21-Y27 HydrophobicContact CB-CD1 3.82Å; N21-Y27 HydrophobicContact CB-CE1 3.63Å; N21-Y27 VanDerWaalsContact CG-CE1 3.47Å; N21-N171 WeakPolarHBondContact CB-OD1 3.38Å; N21-N171 PolarHBondContact ND2-O 3.18Å; N21-N171 PolarHBondContact ND2-OD1 2.85Å
22	F	83.8	Confident	84.2	Confident	47 Å²	47	62 Å²	62	21%	0.206	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.8	168.6	-178.9	-100	0	0	0	110.1	N24 F25 Q26 Y28 K131	F22-N24 PolarHBondContact O-N 2.75Å; F22-F25 PolarHBondContact O-N 3.39Å; F22-Q26 HydrophobicContact CB-CB 4.28Å; F22-Q26 HydrophobicContact CD1-CG 4.43Å; F22-Q26 PolarHBondContact N-O 3.3Å; F22-Q26 PolarHBondContact O-N 3.01Å; F22-Y28 HydrophobicContact CB-CE1 3.96Å; F22-K131 HydrophobicContact CB-CG 4.43Å; F22-K131 HydrophobicContact CD1-CG 3.83Å; F22-K131 HydrophobicContact CD2-CG 3.71Å; F22-K131 HydrophobicContact CE1-CG 3.95Å; F22-K131 HydrophobicContact CE2-CD 4.29Å; F22-K131 VanDerWaalsContact CE2-CE 3.49Å; F22-K131 HydrophobicContact CE2-CG 3.85Å; F22-K131 HydrophobicContact CG-CB 4.49Å; F22-K131 HydrophobicContact CG-CG 3.7Å; F22-K131 HydrophobicContact CZ-CD 4.36Å; F22-K131 VanDerWaalsContact CZ-CE 3.43Å; F22-K131 HydrophobicContact CZ-CG 3.98Å
23	E	82.5	Confident	86.4	Confident	128 Å²	128	54.6 Å²	54.6	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	24	175.2	-59.8	-175.8	-179.1	0	0	115.4	F25	E23-F25 PolarHBondContact O-N 3.48Å; E23-F25 VanDerWaalsContact O-N 3.09Å
24	N	81.4	Confident	87.9	Confident	39 Å²	39	52.3 Å²	52.3	21%	0.209	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	10.1	-170.9	-51.2	-47.6	0	0	0	114.6	N21 F22 R172 W173	N21-N24 PolarHBondContact ND2-OD1 3.37Å; N21-N24 WeakPolarHBondContact OD1-CA 3.11Å; N21-N24 PolarHBondContact OD1-N 3.03Å; F22-N24 PolarHBondContact O-N 2.75Å; N24-R172 VanDerWaalsContact OD1-CA 3.28Å; N24-R172 WeakPolarHBondContact OD1-CA 3.2Å; N24-W173 PolarHBondContact ND2-O 3.34Å; N24-W173 PolarHBondContact OD1-N 3.31Å
25	F	80.4	Confident	89.2	Confident	163 Å²	163	50.4 Å²	50.4	72%	0.715	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-33.6	-175.5	-173.6	-110.8	0	0	0	112	F22 E23	F22-F25 PolarHBondContact O-N 3.39Å; E23-F25 PolarHBondContact O-N 3.48Å; E23-F25 VanDerWaalsContact O-N 3.09Å
26	Q	82.5	Confident	90.1	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.5	-179.1	-52.2	169.9	44.9	0	0	109.8	F22 Y28 N130	F22-Q26 HydrophobicContact CB-CB 4.28Å; F22-Q26 HydrophobicContact CD1-CG 4.43Å; F22-Q26 PolarHBondContact N-O 3.3Å; F22-Q26 PolarHBondContact O-N 3.01Å; Q26-Y28 HydrophobicContact CB-CD1 4.37Å; Q26-N130 PolarHBondContact NE2-OD1 2.87Å
27	Y	88.7	Confident	90.8	Very high	35 Å²	35	51.7 Å²	51.7	14%	0.137	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	96.8	173.1	-61	-98.5	0	0	0	108.4	I20 N21 L170 N171	I20-Y27 WeakPolarHBondContact O-CA 3.5Å; N21-Y27 HydrophobicContact CB-CD1 3.82Å; N21-Y27 HydrophobicContact CB-CE1 3.63Å; N21-Y27 VanDerWaalsContact CG-CE1 3.47Å; Y27-L170 HydrophobicContact CD1-CB 4.36Å; Y27-L170 HydrophobicContact CD1-CD2 3.65Å; Y27-L170 HydrophobicContact CD2-CD2 4.06Å; Y27-L170 HydrophobicContact CE1-CB 3.92Å; Y27-L170 HydrophobicContact CE1-CD2 4.1Å; Y27-L170 HydrophobicContact CE2-CD1 4.49Å; Y27-L170 HydrophobicContact CE2-CD2 4.49Å; Y27-L170 HydrophobicContact CG-CD2 3.63Å; Y27-N171 VanDerWaalsContact CE1-O 3.29Å; Y27-N171 WeakPolarHBondContact CE1-O 3.46Å; Y27-N171 PolarHBondContact OH-O 3.07Å
28	Y	92	Very high	91.4	Very high	24 Å²	24	50.6 Å²	50.6	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148	-173	64.5	-92.3	0	0	0	111.7	L19 I20 F22 Q26 R41 V42 K131	L19-Y28 CarbonylContact C-O 3.58Å; L19-Y28 WeakPolarHBondContact CA-O 3.48Å; I20-Y28 HydrophobicContact CB-CD2 4.32Å; I20-Y28 HydrophobicContact CB-CE1 4.14Å; I20-Y28 HydrophobicContact CB-CE2 3.9Å; I20-Y28 HydrophobicContact CD1-CD2 4.36Å; I20-Y28 HydrophobicContact CD1-CE2 3.64Å; I20-Y28 HydrophobicContact CG1-CE2 4.33Å; I20-Y28 HydrophobicContact CG2-CE1 4.01Å; I20-Y28 HydrophobicContact CG2-CE2 4.24Å; I20-Y28 PolarHBondContact N-O 3.42Å; I20-Y28 PolarHBondContact O-N 2.93Å; I20-Y28 VanDerWaalsContact O-N 3.13Å; F22-Y28 HydrophobicContact CB-CE1 3.96Å; Q26-Y28 HydrophobicContact CB-CD1 4.37Å; Y28-R41 HydrophobicContact CD2-CB 3.86Å; Y28-R41 HydrophobicContact CD2-CG 4.25Å; Y28-R41 HydrophobicContact CE2-CB 4.2Å; Y28-R41 HydrophobicContact CE2-CG 4.13Å; Y28-V42 CarbonylContact C-O 3.51Å; Y28-V42 WeakPolarHBondContact CA-O 3.49Å; Y28-V42 WeakPolarHBondContact CB-O 3.32Å; Y28-K131 HydrophobicContact CD1-CB 4.22Å; Y28-K131 HydrophobicContact CE1-CB 3.5Å; Y28-K131 HydrophobicContact CE1-CG 4.46Å
29	G	93.5	Very high	91.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	171	174.1	0	0	0	0	0	112.3	R41 V42	G29-R41 CarbonylContact O-C 3.55Å; G29-R41 VanDerWaalsContact O-CA 3.29Å; G29-R41 WeakPolarHBondContact O-CA 3.45Å; G29-V42 PolarHBondContact N-O 3.35Å; G29-V42 PolarHBondContact O-N 3.25Å
30	E	95.7	Very high	92.1	Very high	66 Å²	66	46.7 Å²	46.7	31%	0.308	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109	172.3	-177.3	174.5	96.9	0	0	109.5	E17 K39 L40 R69	E17-E30 PolarHBondContact OE1-N 3.24Å; E17-E30 VanDerWaalsContact OE1-N 3.1Å; E30-K39 HydrophobicContact CG-CB 4.37Å; E30-K39 WeakPolarHBondContact OE1-CD 3.33Å; E30-K39 WeakPolarHBondContact OE1-CE 3.38Å; E30-K39 IonicContact OE1-NZ 3.45Å; E30-K39 PolarHBondContact OE1-NZ 3.46Å; E30-L40 WeakPolarHBondContact CA-O 3.11Å; E30-R69 IonicContact OE2-CZ 2.73Å; E30-R69 IonicContact OE2-NH1 2.72Å; E30-R69 PolarHBondContact OE2-NH1 3.44Å; E30-R69 IonicContact OE2-NH2 3.49Å; E30-R69 PolarHBondContact OE2-NH2 2.9Å
31	I	96.1	Very high	92.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	173.2	177.1	66.3	146.8	0	0	0	110.5	V33 K39 L40 V42 F44 F53 I104 R105 I106 I136	I31-V33 HydrophobicContact CD1-CG2 3.86Å; I31-K39 WeakPolarHBondContact O-CA 3.28Å; I31-L40 HydrophobicContact CG1-CB 4.4Å; I31-L40 PolarHBondContact N-O 3.04Å; I31-L40 PolarHBondContact O-N 2.82Å; I31-V42 HydrophobicContact CB-CG2 4.34Å; I31-V42 HydrophobicContact CD1-CG1 3.82Å; I31-V42 HydrophobicContact CD1-CG2 4.32Å; I31-V42 HydrophobicContact CG1-CB 4.4Å; I31-V42 HydrophobicContact CG1-CG1 3.65Å; I31-V42 HydrophobicContact CG1-CG2 3.82Å; I31-V42 HydrophobicContact CG2-CG2 3.63Å; I31-F44 HydrophobicContact CG2-CZ 4.24Å; I31-F53 HydrophobicContact CD1-CE1 3.96Å; I31-F53 HydrophobicContact CD1-CZ 3.81Å; I31-I104 HydrophobicContact CD1-CG2 3.8Å; I31-R105 WeakPolarHBondContact CB-O 3.08Å; I31-I106 HydrophobicContact CB-CG1 4.48Å; I31-I106 HydrophobicContact CG2-CB 4.4Å; I31-I106 HydrophobicContact CG2-CG1 3.8Å; I31-I106 HydrophobicContact CG2-CG2 4.33Å; I31-I136 HydrophobicContact CD1-CD1 4.12Å; I31-I136 HydrophobicContact CG2-CD1 4.36Å
32	S	97.9	Very high	92.8	Very high	21 Å²	21	44 Å²	44	15%	0.147	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.5	169.6	-58	0	0	0	0	113.1	Q38 I104 R105	S32-Q38 CarbonylContact C-O 3.52Å; S32-Q38 VanDerWaalsContact CA-O 3.26Å; S32-Q38 WeakPolarHBondContact CA-O 3.06Å; S32-I104 CarbonylContact O-C 3.59Å; S32-R105 PolarHBondContact N-O 2.94Å; S32-R105 PolarHBondContact O-N 2.81Å
33	V	98.5	Very high	93.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.6	-179.5	-170.9	0	0	0	0	110	I31 Q38 L40 F53 Y71 D102 T103 I104 F116	I31-V33 HydrophobicContact CD1-CG2 3.86Å; V33-Q38 PolarHBondContact N-O 3.18Å; V33-Q38 WeakPolarHBondContact O-CB 3.08Å; V33-Q38 PolarHBondContact O-N 3.29Å; V33-L40 HydrophobicContact CB-CD1 4.33Å; V33-L40 HydrophobicContact CG2-CD1 3.69Å; V33-F53 HydrophobicContact CG1-CE2 4.37Å; V33-F53 HydrophobicContact CG2-CD2 4.13Å; V33-F53 HydrophobicContact CG2-CE2 3.65Å; V33-F53 HydrophobicContact CG2-CZ 4.02Å; V33-Y71 HydrophobicContact CB-CD2 3.96Å; V33-Y71 HydrophobicContact CB-CE2 4.09Å; V33-Y71 HydrophobicContact CG1-CD2 3.78Å; V33-Y71 HydrophobicContact CG1-CE2 3.52Å; V33-D102 HydrophobicContact CG1-CB 4.14Å; V33-T103 CarbonylContact C-O 3.37Å; V33-T103 WeakPolarHBondContact CA-O 3.13Å; V33-I104 HydrophobicContact CG1-CG1 4.16Å; V33-I104 HydrophobicContact CG2-CG1 4.15Å; V33-F116 HydrophobicContact CG1-CE1 3.97Å; V33-F116 HydrophobicContact CG1-CZ 3.98Å
34	G	98.5	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-178.1	174.9	0	0	0	0	0	116.3	P36 P37 S76 D102 T103 R105	G34-P36 CarbonylContact C-O 3.5Å; G34-P36 CarbonylContact O-C 3.58Å; G34-P37 WeakPolarHBondContact O-CA 3.34Å; G34-S76 WeakPolarHBondContact CA-OG 3.4Å; G34-D102 VanDerWaalsContact CA-CG 3.47Å; G34-D102 WeakPolarHBondContact CA-OD1 3.43Å; G34-D102 WeakPolarHBondContact CA-OD2 3.38Å; G34-T103 PolarHBondContact N-O 2.84Å; G34-R105 PolarHBondContact O-NH1 2.78Å
35	T	98.6	Very high	94	Very high	39 Å²	39	38.5 Å²	38.5	24%	0.239	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	109.6	-179.9	-55.5	0	0	0	0	110.5	S76 S77 T78 R105	T35-S76 PolarHBondContact N-OG 2.96Å; T35-S76 CarbonylContact O-C 3.48Å; T35-S76 VanDerWaalsContact O-CA 3.32Å; T35-S76 WeakPolarHBondContact O-CA 3.47Å; T35-S77 WeakPolarHBondContact CB-OG 3.22Å; T35-S77 WeakPolarHBondContact CG2-OG 3.47Å; T35-S77 PolarHBondContact O-N 3Å; T35-S77 PolarHBondContact O-OG 2.8Å; T35-S77 VanDerWaalsContact O-OG 3.14Å; T35-T78 WeakPolarHBondContact CB-OG1 3.41Å; T35-T78 PolarHBondContact N-OG1 2.83Å; T35-T78 WeakPolarHBondContact OG1-CG2 3.26Å; T35-T78 PolarHBondContact OG1-OG1 2.88Å; T35-R105 PolarHBondContact OG1-NH2 2.86Å
36	P	98.2	Very high	94.4	Very high	87 Å²	87	34.5 Å²	34.5	57%	0.565	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	cis	-65.7	157.9	3.7	28.6	-36.9	0	0	0	113.2	G34 Q38 K75	G34-P36 CarbonylContact C-O 3.5Å; G34-P36 CarbonylContact O-C 3.58Å; P36-Q38 PolarHBondContact O-N 3.34Å; P36-K75 WeakPolarHBondContact CD-O 3.48Å
37	P	98.3	Very high	94.6	Very high	76 Å²	76	42.8 Å²	42.8	49%	0.494	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	127.2	-177.6	-20.6	32.4	0	0	0	112.7	G34	G34-P37 WeakPolarHBondContact O-CA 3.34Å
38	Q	98.4	Very high	94.5	Very high	27 Å²	27	42 Å²	42	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118	174.9	-55.8	178.7	57	0	0	109.3	S32 V33 P36 D72	S32-Q38 CarbonylContact C-O 3.52Å; S32-Q38 VanDerWaalsContact CA-O 3.26Å; S32-Q38 WeakPolarHBondContact CA-O 3.06Å; V33-Q38 PolarHBondContact N-O 3.18Å; V33-Q38 WeakPolarHBondContact O-CB 3.08Å; V33-Q38 PolarHBondContact O-N 3.29Å; P36-Q38 PolarHBondContact O-N 3.34Å; Q38-D72 PolarHBondContact NE2-O 3.44Å
39	K	98	Very high	94.4	Very high	118 Å²	118	41.5 Å²	41.5	51%	0.513	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.7	-174.4	-70.8	179.4	164.1	-144.1	0	112	E30 I31 R69	E30-K39 HydrophobicContact CG-CB 4.37Å; E30-K39 WeakPolarHBondContact OE1-CD 3.33Å; E30-K39 WeakPolarHBondContact OE1-CE 3.38Å; E30-K39 IonicContact OE1-NZ 3.45Å; E30-K39 PolarHBondContact OE1-NZ 3.46Å; I31-K39 WeakPolarHBondContact O-CA 3.28Å; K39-R69 VanDerWaalsContact O-CD 3.24Å; K39-R69 WeakPolarHBondContact O-CD 3.49Å
40	L	96.8	Very high	94.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.2	177	-59.4	174.9	0	0	0	109.8	E30 I31 V33 V42 F53 R69 D133	E30-L40 WeakPolarHBondContact CA-O 3.11Å; I31-L40 HydrophobicContact CG1-CB 4.4Å; I31-L40 PolarHBondContact N-O 3.04Å; I31-L40 PolarHBondContact O-N 2.82Å; V33-L40 HydrophobicContact CB-CD1 4.33Å; V33-L40 HydrophobicContact CG2-CD1 3.69Å; L40-V42 HydrophobicContact CB-CG1 4.43Å; L40-F53 HydrophobicContact CD1-CB 3.86Å; L40-F53 HydrophobicContact CD1-CD1 3.76Å; L40-F53 HydrophobicContact CD1-CD2 3.94Å; L40-F53 HydrophobicContact CD1-CE1 4.4Å; L40-F53 HydrophobicContact CD1-CG 3.55Å; L40-R69 HydrophobicContact CD2-CB 3.91Å; L40-R69 WeakPolarHBondContact CD2-O 3.3Å; L40-D133 HydrophobicContact CB-CB 4.44Å; L40-D133 HydrophobicContact CD2-CB 4.29Å
41	R	95.2	Very high	94.2	Very high	46 Å²	46	39.8 Å²	39.8	17%	0.174	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.1	172	-60.9	166.6	-64.3	169.3	1.3	108.2	Y28 G29 K131 Y132 D133 G134	Y28-R41 HydrophobicContact CD2-CB 3.86Å; Y28-R41 HydrophobicContact CD2-CG 4.25Å; Y28-R41 HydrophobicContact CE2-CB 4.2Å; Y28-R41 HydrophobicContact CE2-CG 4.13Å; G29-R41 CarbonylContact O-C 3.55Å; G29-R41 VanDerWaalsContact O-CA 3.29Å; G29-R41 WeakPolarHBondContact O-CA 3.45Å; R41-K131 WeakPolarHBondContact CD-O 3.5Å; R41-K131 PolarHBondContact NE-O 3.09Å; R41-K131 VanDerWaalsContact NE-O 3.09Å; R41-K131 PolarHBondContact NH1-O 2.89Å; R41-Y132 CarbonylContact O-C 3.59Å; R41-D133 VanDerWaalsContact CB-OD2 3.29Å; R41-D133 WeakPolarHBondContact CB-OD2 3.21Å; R41-D133 WeakPolarHBondContact CG-OD2 3.3Å; R41-D133 IonicContact CZ-OD1 2.72Å; R41-D133 IonicContact CZ-OD2 3.66Å; R41-D133 PolarHBondContact N-OD2 3.06Å; R41-D133 IonicContact NE-OD1 2.89Å; R41-D133 PolarHBondContact NE-OD1 2.72Å; R41-D133 IonicContact NE-OD2 3.71Å; R41-D133 PolarHBondContact NE-OD2 3.42Å; R41-D133 IonicContact NH2-OD1 3.46Å; R41-D133 PolarHBondContact NH2-OD1 2.84Å; R41-D133 IonicContact NH2-OD2 3.55Å; R41-D133 WeakPolarHBondContact O-CA 3.09Å; R41-D133 PolarHBondContact O-N 3.24Å; R41-G134 PolarHBondContact O-N 3.46Å
42	V	94.4	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.2	-173.7	-63.3	0	0	0	0	112.4	Y28 G29 I31 L40 F44 F53 G134 I136	Y28-V42 CarbonylContact C-O 3.51Å; Y28-V42 WeakPolarHBondContact CA-O 3.49Å; Y28-V42 WeakPolarHBondContact CB-O 3.32Å; G29-V42 PolarHBondContact N-O 3.35Å; G29-V42 PolarHBondContact O-N 3.25Å; I31-V42 HydrophobicContact CB-CG2 4.34Å; I31-V42 HydrophobicContact CD1-CG1 3.82Å; I31-V42 HydrophobicContact CD1-CG2 4.32Å; I31-V42 HydrophobicContact CG1-CB 4.4Å; I31-V42 HydrophobicContact CG1-CG1 3.65Å; I31-V42 HydrophobicContact CG1-CG2 3.82Å; I31-V42 HydrophobicContact CG2-CG2 3.63Å; L40-V42 HydrophobicContact CB-CG1 4.43Å; V42-F44 HydrophobicContact CG2-CE2 4.09Å; V42-F44 HydrophobicContact CG2-CZ 4.02Å; V42-F53 HydrophobicContact CG1-CD1 4.04Å; V42-F53 HydrophobicContact CG1-CE1 3.59Å; V42-G134 VanDerWaalsContact CA-O 3.29Å; V42-G134 WeakPolarHBondContact CA-O 3.47Å; V42-I136 HydrophobicContact CB-CD1 4.2Å; V42-I136 HydrophobicContact CB-CG1 4.27Å; V42-I136 HydrophobicContact CG2-CD1 3.64Å; V42-I136 HydrophobicContact CG2-CG1 4.24Å
43	L	92.2	Very high	93.9	Very high	40 Å²	40	38.9 Å²	38.9	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.7	164.5	-173.5	72.5	0	0	0	109	D45 Y132 G134 V135 I136	L43-D45 HydrophobicContact CD2-CB 4.35Å; L43-Y132 HydrophobicContact CB-CD1 4.33Å; L43-Y132 HydrophobicContact CB-CD2 4.35Å; L43-Y132 HydrophobicContact CB-CG 4.22Å; L43-G134 PolarHBondContact N-O 3.33Å; L43-V135 HydrophobicContact CB-CG2 4.25Å; L43-V135 CarbonylContact O-C 3.5Å; L43-V135 WeakPolarHBondContact O-CA 3.39Å; L43-I136 PolarHBondContact O-N 3.45Å
44	F	91.9	Very high	93.6	Very high	25 Å²	25	38.9 Å²	38.9	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	102.6	167.9	-63	-88.4	0	0	0	108.5	E17 L19 I31 V42 I106 I136 M138 F168	E17-F44 HydrophobicContact CG-CE2 4.21Å; E17-F44 HydrophobicContact CG-CZ 4.14Å; L19-F44 HydrophobicContact CD2-CD2 3.6Å; L19-F44 HydrophobicContact CD2-CE2 3.6Å; I31-F44 HydrophobicContact CG2-CZ 4.24Å; V42-F44 HydrophobicContact CG2-CE2 4.09Å; V42-F44 HydrophobicContact CG2-CZ 4.02Å; F44-I106 HydrophobicContact CE1-CD1 4.08Å; F44-I136 HydrophobicContact CD1-CB 4.09Å; F44-I136 HydrophobicContact CD1-CD1 4.05Å; F44-I136 HydrophobicContact CD1-CG2 4.17Å; F44-I136 HydrophobicContact CE1-CB 4.47Å; F44-I136 HydrophobicContact CE1-CD1 3.57Å; F44-I136 HydrophobicContact CZ-CD1 4.18Å; F44-M138 HydrophobicContact CB-CG 4.13Å; F44-M138 HydrophobicContact CD1-CG 4.33Å; F44-M138 HydrophobicContact CD1-SD 4.25Å; F44-F168 HydrophobicContact CB-CE1 3.56Å; F44-F168 HydrophobicContact CB-CZ 3.5Å; F44-F168 HydrophobicContact CD2-CE1 4.42Å; F44-F168 HydrophobicContact CG-CE1 4.08Å; F44-F168 HydrophobicContact CG-CZ 4.39Å
45	D	89.2	Confident	93.4	Very high	33 Å²	33	38.9 Å²	38.9	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.1	-170.7	176.2	8.1	0	0	0	110.7	L43 E47 S48 V135 I136 M138	L43-D45 HydrophobicContact CD2-CB 4.35Å; D45-E47 VanDerWaalsContact C-N 3.28Å; D45-E47 PolarHBondContact O-N 2.85Å; D45-E47 PolarHBondContact OD1-N 3.09Å; D45-S48 WeakPolarHBondContact CB-OG 3.3Å; D45-S48 PolarHBondContact OD1-N 2.73Å; D45-S48 WeakPolarHBondContact OD2-CB 3.33Å; D45-S48 PolarHBondContact OD2-OG 3Å; D45-V135 HydrophobicContact CB-CG1 3.45Å; D45-V135 VanDerWaalsContact CB-CG1 3.45Å; D45-I136 PolarHBondContact N-O 2.97Å; D45-M138 PolarHBondContact O-N 2.57Å
46	T	88.4	Confident	93.1	Very high	79 Å²	79	44.3 Å²	44.3	49%	0.485	22%	0.222	S	C	.	.	S	Bend	trans	-72.7	-20.3	-179.3	54	0	0	0	0	114	S139 F166 F168	T46-S139 WeakPolarHBondContact O-CA 3.44Å; T46-F166 HydrophobicContact CG2-CE2 3.92Å; T46-F166 HydrophobicContact CG2-CZ 4.07Å; T46-F168 HydrophobicContact CG2-CD2 4.49Å; T46-F168 HydrophobicContact CG2-CE2 3.65Å; T46-F168 HydrophobicContact CG2-CZ 4.49Å
47	E	85.5	Confident	92.7	Very high	179 Å²	179	43.9 Å²	43.9	84%	0.836	22%	0.215	S	C	*	.	S	Bend	trans	-87.5	-25.4	-176.9	-166.9	172.5	179.2	0	0	111.9	D45	D45-E47 VanDerWaalsContact C-N 3.28Å; D45-E47 PolarHBondContact O-N 2.85Å; D45-E47 PolarHBondContact OD1-N 3.09Å
48	S	87.5	Confident	92.2	Very high	18 Å²	18	40.9 Å²	40.9	13%	0.126	20%	0.196	C	C	.	.			trans	-96.7	157.8	177.9	66.7	0	0	0	0	114.3	D45 G137 M138 S139	D45-S48 WeakPolarHBondContact CB-OG 3.3Å; D45-S48 PolarHBondContact OD1-N 2.73Å; D45-S48 WeakPolarHBondContact OD2-CB 3.33Å; D45-S48 PolarHBondContact OD2-OG 3Å; S48-G137 CarbonylContact O-C 3.58Å; S48-G137 WeakPolarHBondContact O-CA 3.48Å; S48-M138 PolarHBondContact O-N 3.13Å; S48-S139 WeakPolarHBondContact O-CB 3.37Å; S48-S139 PolarHBondContact O-N 3.2Å; S48-S139 PolarHBondContact O-OG 3.15Å; S48-S139 VanDerWaalsContact O-OG 3.13Å
49	T	90.5	Very high	91.2	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.092	21%	0.214	C	C	.	.			trans	-103.4	-34.3	179	-56.5	0	0	0	0	112.2	S139 R141 P150	T49-S139 VanDerWaalsContact CA-OG 3.3Å; T49-S139 WeakPolarHBondContact CA-OG 3.45Å; T49-S139 WeakPolarHBondContact CB-OG 3.35Å; T49-S139 PolarHBondContact OG1-OG 2.57Å; T49-R141 HydrophobicContact CG2-CB 3.74Å; T49-R141 HydrophobicContact CG2-CG 4.47Å; T49-R141 VanDerWaalsContact OG1-CD 3.28Å; T49-R141 WeakPolarHBondContact OG1-CD 3Å; T49-P150 HydrophobicContact CG2-CB 3.99Å; T49-P150 HydrophobicContact CG2-CG 3.37Å
50	D	91	Very high	89.8	Confident	26 Å²	26	47.4 Å²	47.4	14%	0.139	22%	0.221	C	C	.	.			trans	-87.7	142	-171.5	-64.7	-55.2	0	0	0	111.5	F86 W99 G137 S144	D50-F86 HydrophobicContact CB-CE2 3.9Å; D50-F86 HydrophobicContact CB-CZ 3.94Å; D50-W99 HydrophobicContact CB-CH2 4.21Å; D50-W99 WeakPolarHBondContact OD1-CH2 3.45Å; D50-G137 PolarHBondContact O-N 3.05Å; D50-S144 WeakPolarHBondContact OD1-CB 3.47Å; D50-S144 PolarHBondContact OD1-OG 3.18Å
51	T	93.6	Very high	88.5	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	25%	0.249	C	C	.	.			trans	-94.8	135.2	169.5	-59.2	0	0	0	0	109	F53 I104 F116 A117 V135 I136 M151	T51-F53 HydrophobicContact CG2-CE1 3.95Å; T51-F53 HydrophobicContact CG2-CE2 4.03Å; T51-F53 HydrophobicContact CG2-CZ 3.46Å; T51-F53 VanDerWaalsContact CG2-CZ 3.46Å; T51-I104 HydrophobicContact CG2-CD1 4.42Å; T51-F116 HydrophobicContact CG2-CB 3.76Å; T51-F116 CarbonylContact O-C 3.59Å; T51-F116 VanDerWaalsContact O-CA 3.22Å; T51-F116 WeakPolarHBondContact O-CA 2.89Å; T51-F116 WeakPolarHBondContact O-CB 3.43Å; T51-A117 PolarHBondContact O-N 3.16Å; T51-V135 CarbonylContact C-O 3.53Å; T51-V135 VanDerWaalsContact CA-O 3.28Å; T51-V135 WeakPolarHBondContact CA-O 3.48Å; T51-V135 WeakPolarHBondContact CG2-O 3.46Å; T51-I136 HydrophobicContact CG2-CG1 4.05Å; T51-M151 HydrophobicContact CG2-CE 4.11Å
52	W	93.4	Very high	87.3	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.5	175.1	62.9	-99	0	0	0	112.8	Y90 A117 M119 Y127 Y132 G134 V135	W52-Y90 HydrophobicContact CZ2-CE2 4.32Å; W52-Y90 AromaticContact NE1-CE2 3.49Å; W52-Y90 AromaticContact NE1-CZ 3.49Å; W52-Y90 PolarHBondContact NE1-OH 2.88Å; W52-A117 CarbonylContact C-O 3.56Å; W52-A117 WeakPolarHBondContact CA-O 3.37Å; W52-A117 HydrophobicContact CB-CB 4.12Å; W52-A117 WeakPolarHBondContact CB-O 3.46Å; W52-M119 HydrophobicContact CB-CE 3.61Å; W52-M119 HydrophobicContact CB-CG 4.07Å; W52-M119 HydrophobicContact CB-SD 4.24Å; W52-M119 HydrophobicContact CD2-CG 3.82Å; W52-M119 HydrophobicContact CD2-SD 4.49Å; W52-M119 HydrophobicContact CE3-CB 4.4Å; W52-M119 HydrophobicContact CE3-CG 3.36Å; W52-M119 HydrophobicContact CG-CE 4.33Å; W52-M119 HydrophobicContact CG-CG 4.15Å; W52-M119 HydrophobicContact CG-SD 4.38Å; W52-M119 HydrophobicContact CZ3-CG 4.06Å; W52-Y127 HydrophobicContact CH2-CD1 4.43Å; W52-Y127 AromaticContact CH2-CE1 3.76Å; W52-Y127 HydrophobicContact CH2-CE1 3.76Å; W52-Y127 HydrophobicContact CZ2-CE1 4.07Å; W52-Y132 HydrophobicContact CH2-CE2 4.18Å; W52-G134 CarbonylContact O-C 3.54Å; W52-G134 WeakPolarHBondContact O-CA 3.39Å; W52-V135 HydrophobicContact CD2-CB 4.3Å; W52-V135 HydrophobicContact CD2-CG2 4.48Å; W52-V135 HydrophobicContact CH2-CG2 4.03Å; W52-V135 HydrophobicContact CZ2-CB 3.95Å; W52-V135 HydrophobicContact CZ2-CG2 3.26Å; W52-V135 PolarHBondContact N-O 3.09Å; W52-V135 PolarHBondContact O-N 3.03Å
53	F	93.9	Very high	86.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.5	177.6	-54	-51.1	0	0	0	111.1	I31 V33 L40 V42 T51 S55 I104 F116 A117 M119	I31-F53 HydrophobicContact CD1-CE1 3.96Å; I31-F53 HydrophobicContact CD1-CZ 3.81Å; V33-F53 HydrophobicContact CG1-CE2 4.37Å; V33-F53 HydrophobicContact CG2-CD2 4.13Å; V33-F53 HydrophobicContact CG2-CE2 3.65Å; V33-F53 HydrophobicContact CG2-CZ 4.02Å; L40-F53 HydrophobicContact CD1-CB 3.86Å; L40-F53 HydrophobicContact CD1-CD1 3.76Å; L40-F53 HydrophobicContact CD1-CD2 3.94Å; L40-F53 HydrophobicContact CD1-CE1 4.4Å; L40-F53 HydrophobicContact CD1-CG 3.55Å; V42-F53 HydrophobicContact CG1-CD1 4.04Å; V42-F53 HydrophobicContact CG1-CE1 3.59Å; T51-F53 HydrophobicContact CG2-CE1 3.95Å; T51-F53 HydrophobicContact CG2-CE2 4.03Å; T51-F53 HydrophobicContact CG2-CZ 3.46Å; T51-F53 VanDerWaalsContact CG2-CZ 3.46Å; F53-S55 PolarHBondContact O-N 2.85Å; F53-I104 HydrophobicContact CE2-CD1 3.7Å; F53-I104 HydrophobicContact CZ-CD1 3.73Å; F53-F116 HydrophobicContact CD2-CB 4.33Å; F53-F116 HydrophobicContact CD2-CD1 4.4Å; F53-F116 AromaticContact CD2-CD2 3.38Å; F53-F116 HydrophobicContact CD2-CD2 3.38Å; F53-F116 AromaticContact CD2-CE2 3.7Å; F53-F116 HydrophobicContact CD2-CE2 3.7Å; F53-F116 AromaticContact CD2-CG 3.78Å; F53-F116 HydrophobicContact CD2-CG 3.78Å; F53-F116 HydrophobicContact CD2-CZ 4.34Å; F53-F116 HydrophobicContact CE2-CB 4.01Å; F53-F116 HydrophobicContact CE2-CD1 4Å; F53-F116 AromaticContact CE2-CD2 3.77Å; F53-F116 HydrophobicContact CE2-CD2 3.77Å; F53-F116 HydrophobicContact CE2-CE1 4.45Å; F53-F116 HydrophobicContact CE2-CE2 4.24Å; F53-F116 AromaticContact CE2-CG 3.64Å; F53-F116 HydrophobicContact CE2-CG 3.64Å; F53-F116 HydrophobicContact CG-CD2 4.4Å; F53-A117 PolarHBondContact N-O 2.64Å; F53-M119 PolarHBondContact O-N 3.47Å
54	A	92.2	Very high	85.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.6	168.3	0	0	0	0	0	110.5	F68 L70 Y71 I122 D133	A54-F68 HydrophobicContact CB-CB 3.98Å; A54-F68 HydrophobicContact CB-CG 4.37Å; A54-L70 HydrophobicContact CB-CD2 3.65Å; A54-L70 WeakPolarHBondContact O-CA 3.16Å; A54-Y71 PolarHBondContact O-N 2.9Å; A54-I122 HydrophobicContact CB-CD1 3.6Å; A54-D133 WeakPolarHBondContact CB-O 3.29Å; A54-D133 PolarHBondContact N-O 2.7Å
55	S	93.5	Very high	84.4	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-93.8	148.8	-173.6	-178.7	0	0	0	0	112.6	F53 N57 C58 E118 M119	F53-S55 PolarHBondContact O-N 2.85Å; S55-N57 PolarHBondContact O-N 3.17Å; S55-N57 WeakPolarHBondContact OG-CB 3.11Å; S55-N57 PolarHBondContact OG-N 3.43Å; S55-C58 WeakPolarHBondContact O-CB 3.37Å; S55-C58 PolarHBondContact O-N 3.06Å; S55-E118 WeakPolarHBondContact CB-OE2 3.19Å; S55-E118 PolarHBondContact OG-OE2 2.59Å; S55-M119 WeakPolarHBondContact CB-O 3.29Å; S55-M119 PolarHBondContact N-O 3.42Å
56	R	92.9	Very high	83.8	Confident	152 Å²	152	63.4 Å²	63.4	57%	0.574	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23	164.9	-178.1	59.5	176	-173	2.9	112.2	C58 L70 Y71 D72	R56-C58 PolarHBondContact O-N 3.49Å; R56-L70 HydrophobicContact CB-CB 4.44Å; R56-Y71 VanDerWaalsContact CB-O 3.31Å; R56-Y71 WeakPolarHBondContact CB-O 3.38Å; R56-Y71 PolarHBondContact N-O 3.06Å; R56-D72 HydrophobicContact CB-CB 3.93Å; R56-D72 HydrophobicContact CG-CB 4.21Å
57	N	90.4	Very high	83.5	Confident	79 Å²	79	63.6 Å²	63.6	42%	0.422	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	11.8	173.6	-58.4	-55.4	0	0	0	113.1	S55 F98 R120	S55-N57 PolarHBondContact O-N 3.17Å; S55-N57 WeakPolarHBondContact OG-CB 3.11Å; S55-N57 PolarHBondContact OG-N 3.43Å; N57-F98 HydrophobicContact CB-CE1 4.43Å; N57-R120 HydrophobicContact CB-CG 4.27Å
58	C	87.2	Confident	83.5	Confident	13 Å²	13	56.1 Å²	56.1	9%	0.088	25%	0.254	C	S	.	.	S	Bend	trans	-58.3	143.6	171.4	-170.4	0	0	0	0	110.4	S55 R56 F60 C65 R120	S55-C58 WeakPolarHBondContact O-CB 3.37Å; S55-C58 PolarHBondContact O-N 3.06Å; R56-C58 PolarHBondContact O-N 3.49Å; C58-F60 PolarHBondContact O-N 3.38Å; C58-C65 HydrophobicContact CB-CB 3.74Å; C58-C65 WeakPolarHBondContact CB-SG 3.2Å; C58-C65 WeakPolarHBondContact SG-CB 3.27Å; C58-C65 CovalentContact SG-SG 2.01Å; C58-C65 PolarHBondContact SG-SG 2.77Å; C58-R120 WeakPolarHBondContact CA-O 3.45Å
59	W	78.3	Confident	83.7	Confident	130 Å²	130	59.8 Å²	59.8	49%	0.492	27%	0.265	S	S	.	.			trans	-63.1	126.9	-169.6	-174.8	13.4	0	0	0	111.1	L61 D62 C65 R120 F123	W59-L61 HydrophobicContact CZ2-CD1 3.99Å; W59-L61 PolarHBondContact O-N 2.89Å; W59-L61 VanDerWaalsContact O-N 3.07Å; W59-D62 HydrophobicContact CB-CB 4.28Å; W59-D62 WeakPolarHBondContact O-CA 3.2Å; W59-D62 WeakPolarHBondContact O-CB 3.29Å; W59-D62 PolarHBondContact O-N 3.18Å; W59-C65 PolarHBondContact O-SG 3.24Å; W59-C65 VanDerWaalsContact O-SG 3.34Å; W59-R120 PolarHBondContact N-O 2.96Å; W59-F123 AromaticContact CE3-CE2 3.81Å; W59-F123 HydrophobicContact CE3-CE2 3.81Å; W59-F123 HydrophobicContact CE3-CZ 4.41Å; W59-F123 HydrophobicContact CZ3-CE2 4.26Å
60	F	68.5	Low	83.9	Confident	152 Å²	152	61 Å²	61	67%	0.667	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.7	-174.2	75.6	-85.8	0	0	0	115.9	C58 D62	C58-F60 PolarHBondContact O-N 3.38Å; F60-D62 VanDerWaalsContact C-N 3.31Å
61	L	68.7	Low	84.2	Confident	113 Å²	113	59.8 Å²	59.8	59%	0.592	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.4	175.7	-67.6	179.2	0	0	0	113.1	W59 I63	W59-L61 HydrophobicContact CZ2-CD1 3.99Å; W59-L61 PolarHBondContact O-N 2.89Å; W59-L61 VanDerWaalsContact O-N 3.07Å; L61-I63 PolarHBondContact O-N 2.8Å; L61-I63 VanDerWaalsContact O-N 3.11Å
62	D	70.1	Confident	84.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	27%	0.267	C	S	.	.			trans	-78	97	173.5	-174.1	-8.2	0	0	0	108.3	W59 F60 F64 C65 F123	W59-D62 HydrophobicContact CB-CB 4.28Å; W59-D62 WeakPolarHBondContact O-CA 3.2Å; W59-D62 WeakPolarHBondContact O-CB 3.29Å; W59-D62 PolarHBondContact O-N 3.18Å; F60-D62 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 2.97Å; D62-F64 VanDerWaalsContact O-N 3.09Å; D62-F64 WeakPolarHBondContact OD1-CA 3.15Å; D62-F64 WeakPolarHBondContact OD1-CB 3.47Å; D62-F64 WeakPolarHBondContact OD1-CD2 3.36Å; D62-F64 WeakPolarHBondContact OD1-CG 3.47Å; D62-F64 PolarHBondContact OD1-N 2.87Å; D62-C65 WeakPolarHBondContact CB-SG 3.46Å; D62-C65 WeakPolarHBondContact O-CB 3.45Å; D62-C65 PolarHBondContact O-N 3.17Å; D62-C65 PolarHBondContact O-SG 3.22Å; D62-C65 VanDerWaalsContact O-SG 3.34Å; D62-F123 HydrophobicContact CB-CD2 4.34Å; D62-F123 HydrophobicContact CB-CE1 4.2Å; D62-F123 HydrophobicContact CB-CE2 3.45Å; D62-F123 VanDerWaalsContact CB-CE2 3.45Å; D62-F123 HydrophobicContact CB-CZ 3.36Å; D62-F123 VanDerWaalsContact CG-CE2 3.44Å; D62-F123 VanDerWaalsContact CG-CZ 3.44Å; D62-F123 WeakPolarHBondContact OD2-CD2 3.31Å; D62-F123 WeakPolarHBondContact OD2-CE2 3.39Å
63	I	70.9	Confident	84.6	Confident	119 Å²	119	60.9 Å²	60.9	61%	0.61	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.1	-22	176	-163.6	163.7	0	0	0	111.5	L61 C65 W66	L61-I63 PolarHBondContact O-N 2.8Å; L61-I63 VanDerWaalsContact O-N 3.11Å; I63-C65 VanDerWaalsContact C-N 3.34Å; I63-W66 WeakPolarHBondContact O-CB 3.44Å; I63-W66 PolarHBondContact O-N 3.08Å
64	F	69.8	Low	84.7	Confident	34 Å²	34	65.8 Å²	65.8	15%	0.149	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-71.2	-29.9	178.8	-50.1	-55.1	0	0	0	112.1	D62 W66 M67 F68 F123 I128	D62-F64 PolarHBondContact O-N 2.97Å; D62-F64 VanDerWaalsContact O-N 3.09Å; D62-F64 WeakPolarHBondContact OD1-CA 3.15Å; D62-F64 WeakPolarHBondContact OD1-CB 3.47Å; D62-F64 WeakPolarHBondContact OD1-CD2 3.36Å; D62-F64 WeakPolarHBondContact OD1-CG 3.47Å; D62-F64 PolarHBondContact OD1-N 2.87Å; F64-W66 PolarHBondContact O-N 2.76Å; F64-M67 HydrophobicContact CB-CE 4.01Å; F64-M67 HydrophobicContact CD1-CE 3.6Å; F64-M67 HydrophobicContact CG-CE 4.27Å; F64-M67 WeakPolarHBondContact O-CB 3.37Å; F64-M67 PolarHBondContact O-N 2.6Å; F64-F68 HydrophobicContact CB-CE2 4.29Å; F64-F68 WeakPolarHBondContact O-CD2 3.33Å; F64-F68 WeakPolarHBondContact O-CE2 3.46Å; F64-F123 AromaticContact CD2-CD1 3.94Å; F64-F123 HydrophobicContact CD2-CD1 3.94Å; F64-F123 HydrophobicContact CD2-CE1 4.2Å; F64-F123 AromaticContact CE2-CD1 3.75Å; F64-F123 HydrophobicContact CE2-CD1 3.75Å; F64-F123 HydrophobicContact CE2-CE1 4.08Å; F64-I128 HydrophobicContact CD1-CD1 4.2Å; F64-I128 HydrophobicContact CD1-CG1 3.73Å; F64-I128 HydrophobicContact CE1-CD1 3.3Å; F64-I128 HydrophobicContact CE1-CG1 3.34Å; F64-I128 HydrophobicContact CZ-CD1 3.67Å; F64-I128 HydrophobicContact CZ-CG1 4Å
65	C	77.8	Confident	85	Confident	7 Å²	7	71.5 Å²	71.5	5%	0.047	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.1	173.3	-49.4	0	0	0	0	112.2	C58 W59 D62 I63 M67 L70	C58-C65 HydrophobicContact CB-CB 3.74Å; C58-C65 WeakPolarHBondContact CB-SG 3.2Å; C58-C65 WeakPolarHBondContact SG-CB 3.27Å; C58-C65 CovalentContact SG-SG 2.01Å; C58-C65 PolarHBondContact SG-SG 2.77Å; W59-C65 PolarHBondContact O-SG 3.24Å; W59-C65 VanDerWaalsContact O-SG 3.34Å; D62-C65 WeakPolarHBondContact CB-SG 3.46Å; D62-C65 WeakPolarHBondContact O-CB 3.45Å; D62-C65 PolarHBondContact O-N 3.17Å; D62-C65 PolarHBondContact O-SG 3.22Å; D62-C65 VanDerWaalsContact O-SG 3.34Å; I63-C65 VanDerWaalsContact C-N 3.34Å; C65-M67 VanDerWaalsContact C-N 3.26Å; C65-M67 PolarHBondContact O-N 3.44Å; C65-L70 HydrophobicContact CB-CD1 4.44Å
66	W	76.6	Confident	85.3	Confident	209 Å²	209	72.1 Å²	72.1	79%	0.792	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-76.4	-14.9	-177.8	-63.8	49.7	0	0	0	112.6	I63 F64	I63-W66 WeakPolarHBondContact O-CB 3.44Å; I63-W66 PolarHBondContact O-N 3.08Å; F64-W66 PolarHBondContact O-N 2.76Å
67	M	80.6	Confident	85.6	Confident	82 Å²	82	69.6 Å²	69.6	40%	0.404	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-89.9	-15.2	-179.8	-55.3	-170.8	-51.7	0	0	113.1	F64 C65 I128	F64-M67 HydrophobicContact CB-CE 4.01Å; F64-M67 HydrophobicContact CD1-CE 3.6Å; F64-M67 HydrophobicContact CG-CE 4.27Å; F64-M67 WeakPolarHBondContact O-CB 3.37Å; F64-M67 PolarHBondContact O-N 2.6Å; C65-M67 VanDerWaalsContact C-N 3.26Å; C65-M67 PolarHBondContact O-N 3.44Å; M67-I128 HydrophobicContact CE-CB 4.31Å; M67-I128 HydrophobicContact CE-CG1 4.41Å; M67-I128 HydrophobicContact CE-CG2 4.17Å; M67-I128 HydrophobicContact SD-CG2 4.38Å
68	F	86.1	Confident	85.9	Confident	22 Å²	22	68.1 Å²	68.1	10%	0.096	33%	0.334	C	S	.	.	S	Bend	trans	-103.5	152.7	-175.7	-59.4	-65.2	0	0	0	111.9	A54 F64 L70 I122 Y132 D133	A54-F68 HydrophobicContact CB-CB 3.98Å; A54-F68 HydrophobicContact CB-CG 4.37Å; F64-F68 HydrophobicContact CB-CE2 4.29Å; F64-F68 WeakPolarHBondContact O-CD2 3.33Å; F64-F68 WeakPolarHBondContact O-CE2 3.46Å; F68-L70 HydrophobicContact CB-CD2 4.03Å; F68-I122 HydrophobicContact CE2-CG2 4.4Å; F68-Y132 WeakPolarHBondContact CD1-O 3.48Å; F68-Y132 VanDerWaalsContact CE1-O 3.3Å; F68-Y132 WeakPolarHBondContact CE1-O 3.46Å; F68-D133 WeakPolarHBondContact CA-OD1 3.35Å
69	R	92	Very high	86.5	Confident	95 Å²	95	70.6 Å²	70.6	36%	0.358	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-74.6	124.2	159.5	-57.3	179.2	-175.8	171.8	-0.6	107.1	E30 K39 L40 D133	E30-R69 IonicContact OE2-CZ 2.73Å; E30-R69 IonicContact OE2-NH1 2.72Å; E30-R69 PolarHBondContact OE2-NH1 3.44Å; E30-R69 IonicContact OE2-NH2 3.49Å; E30-R69 PolarHBondContact OE2-NH2 2.9Å; K39-R69 VanDerWaalsContact O-CD 3.24Å; K39-R69 WeakPolarHBondContact O-CD 3.49Å; L40-R69 HydrophobicContact CD2-CB 3.91Å; L40-R69 WeakPolarHBondContact CD2-O 3.3Å; R69-D133 HydrophobicContact CB-CB 4.4Å; R69-D133 WeakPolarHBondContact CB-OD2 3.08Å; R69-D133 PolarHBondContact N-OD1 2.73Å; R69-D133 WeakPolarHBondContact O-CB 3.14Å
70	L	93.5	Very high	87.4	Confident	41 Å²	41	68.2 Å²	68.2	22%	0.215	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-100.5	129.6	-175.4	-56.3	-180	0	0	0	110	A54 R56 C65 F68	A54-L70 HydrophobicContact CB-CD2 3.65Å; A54-L70 WeakPolarHBondContact O-CA 3.16Å; R56-L70 HydrophobicContact CB-CB 4.44Å; C65-L70 HydrophobicContact CB-CD1 4.44Å; F68-L70 HydrophobicContact CB-CD2 4.03Å
71	Y	97.2	Very high	88.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-68.5	129.2	168.1	172	-106.2	0	0	0	110.1	V33 A54 R56 D102 F116 E118	V33-Y71 HydrophobicContact CB-CD2 3.96Å; V33-Y71 HydrophobicContact CB-CE2 4.09Å; V33-Y71 HydrophobicContact CG1-CD2 3.78Å; V33-Y71 HydrophobicContact CG1-CE2 3.52Å; A54-Y71 PolarHBondContact O-N 2.9Å; R56-Y71 VanDerWaalsContact CB-O 3.31Å; R56-Y71 WeakPolarHBondContact CB-O 3.38Å; R56-Y71 PolarHBondContact N-O 3.06Å; Y71-D102 PolarHBondContact OH-OD2 3.1Å; Y71-F116 AromaticContact CD1-CE2 3.77Å; Y71-F116 HydrophobicContact CD1-CE2 3.77Å; Y71-F116 HydrophobicContact CD1-CZ 4.01Å; Y71-F116 AromaticContact CE1-CE2 3.69Å; Y71-F116 HydrophobicContact CE1-CE2 3.69Å; Y71-F116 AromaticContact CE1-CZ 3.51Å; Y71-F116 HydrophobicContact CE1-CZ 3.51Å; Y71-F116 HydrophobicContact CE2-CZ 4.26Å; Y71-F116 HydrophobicContact CG-CE2 4.4Å; Y71-F116 AromaticContact CZ-CZ 3.65Å; Y71-E118 HydrophobicContact CD1-CG 3.86Å; Y71-E118 HydrophobicContact CE1-CG 4.18Å
72	D	97.5	Very high	90	Very high	15 Å²	15	62.2 Å²	62.2	8%	0.08	33%	0.327	C	S	.	.			trans	-118.6	93.9	-178	-171.4	-14.9	0	0	0	109.6	Q38 R56 S74 K75	Q38-D72 PolarHBondContact NE2-O 3.44Å; R56-D72 HydrophobicContact CB-CB 3.93Å; R56-D72 HydrophobicContact CG-CB 4.21Å; D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 WeakPolarHBondContact OD1-CB 3.43Å; D72-S74 PolarHBondContact OD1-N 2.86Å; D72-S74 PolarHBondContact OD1-OG 3.03Å; D72-K75 HydrophobicContact CB-CB 4.49Å; D72-K75 HydrophobicContact CB-CD 4.08Å; D72-K75 HydrophobicContact CB-CG 4.28Å; D72-K75 PolarHBondContact O-N 2.87Å; D72-K75 WeakPolarHBondContact OD2-CD 3.28Å; D72-K75 WeakPolarHBondContact OD2-CE 3.22Å; D72-K75 IonicContact OD2-NZ 2.74Å; D72-K75 PolarHBondContact OD2-NZ 3.44Å
73	S	98.1	Very high	91.1	Very high	15 Å²	15	64.5 Å²	64.5	11%	0.105	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-58.1	-29.7	179.8	44.8	0	0	0	0	112.9	K75 S76 E118	S73-K75 PolarHBondContact O-N 2.95Å; S73-K75 VanDerWaalsContact O-N 3.15Å; S73-S76 PolarHBondContact O-N 2.61Å; S73-E118 PolarHBondContact OG-OE1 3.46Å
74	S	98	Very high	92.2	Very high	103 Å²	103	61.3 Å²	61.3	72%	0.72	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.2	178.1	79	0	0	0	0	113.7	D72	D72-S74 PolarHBondContact O-N 2.92Å; D72-S74 WeakPolarHBondContact OD1-CB 3.43Å; D72-S74 PolarHBondContact OD1-N 2.86Å; D72-S74 PolarHBondContact OD1-OG 3.03Å
75	K	98.2	Very high	93.3	Very high	121 Å²	121	63.8 Å²	63.8	53%	0.526	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-92.6	-8.8	177.3	-68.4	-179.9	-179.5	133.6	0	113.3	P36 D72 S73	P36-K75 WeakPolarHBondContact CD-O 3.48Å; D72-K75 HydrophobicContact CB-CB 4.49Å; D72-K75 HydrophobicContact CB-CD 4.08Å; D72-K75 HydrophobicContact CB-CG 4.28Å; D72-K75 PolarHBondContact O-N 2.87Å; D72-K75 WeakPolarHBondContact OD2-CD 3.28Å; D72-K75 WeakPolarHBondContact OD2-CE 3.22Å; D72-K75 IonicContact OD2-NZ 2.74Å; D72-K75 PolarHBondContact OD2-NZ 3.44Å; S73-K75 PolarHBondContact O-N 2.95Å; S73-K75 VanDerWaalsContact O-N 3.15Å
76	S	98.7	Very high	93.8	Very high	13 Å²	13	63.5 Å²	63.5	9%	0.091	36%	0.358	C	S	.	.			trans	-100.3	122	-174.7	-175.9	0	0	0	0	112.1	G34 T35 S73 T78 Y79 D102	G34-S76 WeakPolarHBondContact CA-OG 3.4Å; T35-S76 PolarHBondContact N-OG 2.96Å; T35-S76 CarbonylContact O-C 3.48Å; T35-S76 VanDerWaalsContact O-CA 3.32Å; T35-S76 WeakPolarHBondContact O-CA 3.47Å; S73-S76 PolarHBondContact O-N 2.61Å; S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 2.79Å; S76-T78 PolarHBondContact OG-N 3.27Å; S76-T78 PolarHBondContact OG-OG1 3.08Å; S76-Y79 PolarHBondContact OG-N 3.4Å; S76-D102 WeakPolarHBondContact CB-OD2 3.15Å; S76-D102 VanDerWaalsContact OG-CG 3.27Å; S76-D102 PolarHBondContact OG-OD1 2.9Å; S76-D102 PolarHBondContact OG-OD2 3.07Å
77	S	98.6	Very high	94.2	Very high	99 Å²	99	59.9 Å²	59.9	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-12	173.7	64	0	0	0	0	113.6	T35	T35-S77 WeakPolarHBondContact CB-OG 3.22Å; T35-S77 WeakPolarHBondContact CG2-OG 3.47Å; T35-S77 PolarHBondContact O-N 3Å; T35-S77 PolarHBondContact O-OG 2.8Å; T35-S77 VanDerWaalsContact O-OG 3.14Å
78	T	98.6	Very high	94	Very high	47 Å²	47	57.5 Å²	57.5	29%	0.288	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.7	176	48	0	0	0	0	113.5	T35 S76 D102	T35-T78 WeakPolarHBondContact CB-OG1 3.41Å; T35-T78 PolarHBondContact N-OG1 2.83Å; T35-T78 WeakPolarHBondContact OG1-CG2 3.26Å; T35-T78 PolarHBondContact OG1-OG1 2.88Å; S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 2.79Å; S76-T78 PolarHBondContact OG-N 3.27Å; S76-T78 PolarHBondContact OG-OG1 3.08Å; T78-D102 VanDerWaalsContact CB-OD1 3.27Å; T78-D102 WeakPolarHBondContact CB-OD1 3.47Å; T78-D102 PolarHBondContact OG1-OD1 2.78Å
79	Y	98.6	Very high	93.3	Very high	66 Å²	66	64.1 Å²	64.1	26%	0.259	36%	0.364	S	S	.	.			trans	-66.3	136.9	176.4	166	-111.5	0	0	0	111.3	S76 A81 V101 D102	S76-Y79 PolarHBondContact OG-N 3.4Å; Y79-A81 HydrophobicContact CE1-CB 4.08Å; Y79-A81 WeakPolarHBondContact OH-CA 3.21Å; Y79-A81 WeakPolarHBondContact OH-CB 3.14Å; Y79-V101 CarbonylContact C-O 3.34Å; Y79-V101 WeakPolarHBondContact CA-O 3.49Å; Y79-D102 PolarHBondContact N-OD1 3.13Å
80	V	98.2	Very high	92.1	Very high	79 Å²	79	61.7 Å²	61.7	48%	0.479	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.6	171.2	179.2	0	0	0	0	107.8	V101	V80-V101 HydrophobicContact CB-CB 4.1Å; V80-V101 HydrophobicContact CB-CG1 4.41Å; V80-V101 PolarHBondContact N-O 3.17Å; V80-V101 PolarHBondContact O-N 2.58Å
81	A	97.3	Very high	90.8	Very high	70 Å²	70	66.2 Å²	66.2	58%	0.579	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.2	178.5	0	0	0	0	0	111	Y79	Y79-A81 HydrophobicContact CE1-CB 4.08Å; Y79-A81 WeakPolarHBondContact OH-CA 3.21Å; Y79-A81 WeakPolarHBondContact OH-CB 3.14Å
82	D	94.8	Very high	89.4	Confident	69 Å²	69	72.9 Å²	72.9	37%	0.369	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-60.6	164.3	173	-31.2	0	0	0	108	S84 W99	D82-S84 PolarHBondContact O-N 3.37Å; D82-S84 WeakPolarHBondContact OD1-CB 3.29Å; D82-S84 PolarHBondContact OD1-N 2.91Å; D82-S84 PolarHBondContact OD1-OG 3.42Å; D82-W99 HydrophobicContact CB-CB 3.98Å; D82-W99 WeakPolarHBondContact CB-O 3.29Å; D82-W99 WeakPolarHBondContact OD2-CB 3.5Å
83	G	91.9	Very high	88	Confident	48 Å²	48	73 Å²	73	50%	0.495	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.9	-5.5	173.1	0	0	0	0	0	115	W99	G83-W99 PolarHBondContact N-O 2.92Å
84	S	94.4	Very high	86.9	Confident	52 Å²	52	77.7 Å²	77.7	36%	0.364	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	148.1	172	63.5	0	0	0	0	111.4	D82 F98 W99	D82-S84 PolarHBondContact O-N 3.37Å; D82-S84 WeakPolarHBondContact OD1-CB 3.29Å; D82-S84 PolarHBondContact OD1-N 2.91Å; D82-S84 PolarHBondContact OD1-OG 3.42Å; S84-F98 CarbonylContact O-C 3.51Å; S84-F98 WeakPolarHBondContact O-CA 3.44Å; S84-W99 PolarHBondContact O-N 3.43Å; S84-W99 VanDerWaalsContact OG-CD1 3.26Å
85	S	92.5	Very high	86	Confident	86 Å²	86	72.9 Å²	72.9	60%	0.601	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.6	-174.3	56.3	0	0	0	0	112.1
86	F	89.5	Confident	85.6	Confident	1 Å²	1	69 Å²	69	0%	0.004	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.2	171.1	178.5	-98.8	0	0	0	109.5	D50 V88 S96 G97 W99 A117 M119 Y146	D50-F86 HydrophobicContact CB-CE2 3.9Å; D50-F86 HydrophobicContact CB-CZ 3.94Å; F86-V88 HydrophobicContact CD1-CG1 4.38Å; F86-V88 HydrophobicContact CE1-CB 3.82Å; F86-V88 HydrophobicContact CE1-CG1 3.41Å; F86-V88 VanDerWaalsContact CE1-CG1 3.41Å; F86-V88 HydrophobicContact CZ-CB 3.79Å; F86-V88 HydrophobicContact CZ-CG1 3.82Å; F86-S96 WeakPolarHBondContact O-CA 3.35Å; F86-G97 PolarHBondContact N-O 2.99Å; F86-G97 PolarHBondContact O-N 3.49Å; F86-W99 AromaticContact CD2-CE2 3.52Å; F86-W99 HydrophobicContact CD2-CH2 4.18Å; F86-W99 AromaticContact CD2-CZ2 3.32Å; F86-W99 HydrophobicContact CD2-CZ2 3.32Å; F86-W99 AromaticContact CD2-NE1 3.64Å; F86-W99 HydrophobicContact CE2-CH2 4.17Å; F86-W99 AromaticContact CE2-CZ2 3.63Å; F86-W99 HydrophobicContact CE2-CZ2 3.63Å; F86-W99 HydrophobicContact CG-CZ2 4.35Å; F86-A117 HydrophobicContact CB-CB 3.71Å; F86-A117 HydrophobicContact CD1-CB 3.4Å; F86-A117 HydrophobicContact CD2-CB 3.9Å; F86-A117 HydrophobicContact CE1-CB 3.85Å; F86-A117 HydrophobicContact CE2-CB 4.33Å; F86-A117 HydrophobicContact CG-CB 3.37Å; F86-A117 HydrophobicContact CZ-CB 4.29Å; F86-M119 HydrophobicContact CD1-CE 3.25Å; F86-M119 HydrophobicContact CD1-SD 4.01Å; F86-M119 HydrophobicContact CE1-CE 3.53Å; F86-M119 HydrophobicContact CE1-SD 4.01Å; F86-M119 HydrophobicContact CG-CE 4.27Å; F86-Y146 AromaticContact CD2-CD2 3.83Å; F86-Y146 HydrophobicContact CD2-CD2 3.83Å; F86-Y146 AromaticContact CD2-CE2 3.53Å; F86-Y146 HydrophobicContact CD2-CE2 3.53Å; F86-Y146 HydrophobicContact CD2-CG 4.47Å; F86-Y146 AromaticContact CD2-CZ 3.93Å; F86-Y146 AromaticContact CE2-CD2 3.98Å; F86-Y146 HydrophobicContact CE2-CD2 3.98Å; F86-Y146 AromaticContact CE2-CE2 3.64Å; F86-Y146 HydrophobicContact CE2-CE2 3.64Å
87	Q	84.9	Confident	85.3	Confident	133 Å²	133	69.1 Å²	69.1	62%	0.621	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	126.8	177.2	-68.8	-176.7	-7.2	0	0	109	Y146	Q87-Y146 PolarHBondContact N-OH 2.97Å; Q87-Y146 PolarHBondContact O-OH 2.87Å
88	V	75.9	Confident	85.1	Confident	32 Å²	32	65.1 Å²	65.1	19%	0.194	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.2	177.4	62.5	0	0	0	0	108.5	F86 Y90 I95	F86-V88 HydrophobicContact CD1-CG1 4.38Å; F86-V88 HydrophobicContact CE1-CB 3.82Å; F86-V88 HydrophobicContact CE1-CG1 3.41Å; F86-V88 VanDerWaalsContact CE1-CG1 3.41Å; F86-V88 HydrophobicContact CZ-CB 3.79Å; F86-V88 HydrophobicContact CZ-CG1 3.82Å; V88-Y90 HydrophobicContact CB-CD2 4.5Å; V88-Y90 HydrophobicContact CB-CE2 4.24Å; V88-Y90 HydrophobicContact CG1-CD2 3.7Å; V88-Y90 HydrophobicContact CG1-CE2 3.41Å; V88-Y90 VanDerWaalsContact CG1-CE2 3.41Å; V88-Y90 HydrophobicContact CG2-CD2 4.05Å; V88-Y90 HydrophobicContact CG2-CE2 3.76Å; V88-I95 HydrophobicContact CG1-CB 4.13Å; V88-I95 PolarHBondContact N-O 3.25Å; V88-I95 PolarHBondContact O-N 2.85Å
89	R	71.3	Confident	84.9	Confident	161 Å²	161	63 Å²	63	61%	0.608	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.4	171.9	-174.4	168.8	173.6	157.7	0.5	108.4	L91 D92 S93	R89-L91 WeakPolarHBondContact CG-O 3.28Å; R89-L91 PolarHBondContact NE-O 2.84Å; R89-L91 VanDerWaalsContact NE-O 3.15Å; R89-D92 IonicContact NH2-OD1 3.86Å; R89-S93 WeakPolarHBondContact CA-O 3.14Å
90	Y	65.8	Low	84.9	Confident	45 Å²	45	59.9 Å²	59.9	18%	0.176	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.2	168.8	-78.1	-79.7	0	0	0	107.9	W52 V88 D92 S93 I95	W52-Y90 HydrophobicContact CZ2-CE2 4.32Å; W52-Y90 AromaticContact NE1-CE2 3.49Å; W52-Y90 AromaticContact NE1-CZ 3.49Å; W52-Y90 PolarHBondContact NE1-OH 2.88Å; V88-Y90 HydrophobicContact CB-CD2 4.5Å; V88-Y90 HydrophobicContact CB-CE2 4.24Å; V88-Y90 HydrophobicContact CG1-CD2 3.7Å; V88-Y90 HydrophobicContact CG1-CE2 3.41Å; V88-Y90 VanDerWaalsContact CG1-CE2 3.41Å; V88-Y90 HydrophobicContact CG2-CD2 4.05Å; V88-Y90 HydrophobicContact CG2-CE2 3.76Å; Y90-D92 PolarHBondContact O-N 2.81Å; Y90-D92 VanDerWaalsContact O-N 3.09Å; Y90-S93 PolarHBondContact N-O 2.89Å; Y90-S93 PolarHBondContact O-N 2.74Å; Y90-I95 HydrophobicContact CD2-CD1 3.64Å; Y90-I95 HydrophobicContact CD2-CG1 4.18Å; Y90-I95 HydrophobicContact CE2-CD1 4.46Å; Y90-I95 HydrophobicContact CG-CD1 4.31Å
91	L	67	Low	84.9	Confident	135 Å²	135	57.4 Å²	57.4	71%	0.707	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-116.8	-175.2	-57.3	171.3	0	0	0	110.6	R89	R89-L91 WeakPolarHBondContact CG-O 3.28Å; R89-L91 PolarHBondContact NE-O 2.84Å; R89-L91 VanDerWaalsContact NE-O 3.15Å
92	D	67.1	Low	85	Confident	141 Å²	141	54.1 Å²	54.1	75%	0.754	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	11.4	-179.3	-66.9	-39.4	0	0	0	113.8	R89 Y90	R89-D92 IonicContact NH2-OD1 3.86Å; Y90-D92 PolarHBondContact O-N 2.81Å; Y90-D92 VanDerWaalsContact O-N 3.09Å
93	S	67.9	Low	85.1	Confident	18 Å²	18	51.2 Å²	51.2	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127	-175.3	-56.2	0	0	0	0	112.4	R89 Y90 I95 S124	R89-S93 WeakPolarHBondContact CA-O 3.14Å; Y90-S93 PolarHBondContact N-O 2.89Å; Y90-S93 PolarHBondContact O-N 2.74Å; S93-I95 PolarHBondContact O-N 2.87Å; S93-S124 WeakPolarHBondContact OG-CB 3.4Å; S93-S124 PolarHBondContact OG-OG 3.38Å
94	D	76.1	Confident	85.3	Confident	113 Å²	113	48.9 Å²	48.9	60%	0.604	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.2	172.3	-74	-34.8	0	0	0	109.3
95	I	79.1	Confident	85.4	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.2	177.4	-47.8	-168.7	0	0	0	107.5	V88 Y90 S93 M119 N121 Y127	V88-I95 HydrophobicContact CG1-CB 4.13Å; V88-I95 PolarHBondContact N-O 3.25Å; V88-I95 PolarHBondContact O-N 2.85Å; Y90-I95 HydrophobicContact CD2-CD1 3.64Å; Y90-I95 HydrophobicContact CD2-CG1 4.18Å; Y90-I95 HydrophobicContact CE2-CD1 4.46Å; Y90-I95 HydrophobicContact CG-CD1 4.31Å; S93-I95 PolarHBondContact O-N 2.87Å; I95-M119 HydrophobicContact CB-SD 4.48Å; I95-M119 HydrophobicContact CG2-CB 4.3Å; I95-M119 HydrophobicContact CG2-CG 3.89Å; I95-M119 HydrophobicContact CG2-SD 3.44Å; I95-M119 WeakPolarHBondContact CG2-SD 3.36Å; I95-N121 WeakPolarHBondContact CG2-O 3.16Å; I95-Y127 HydrophobicContact CD1-CE1 4.26Å; I95-Y127 HydrophobicContact CD1-CE2 3.64Å; I95-Y127 VanDerWaalsContact CD1-CZ 3.45Å; I95-Y127 VanDerWaalsContact CD1-OH 3.25Å; I95-Y127 WeakPolarHBondContact CD1-OH 3.21Å
96	S	88.8	Confident	85.4	Confident	40 Å²	40	45.6 Å²	45.6	28%	0.28	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.8	-175	61.5	0	0	0	0	113.2	F86 R120 N121	F86-S96 WeakPolarHBondContact O-CA 3.35Å; S96-R120 PolarHBondContact O-N 2.94Å; S96-N121 PolarHBondContact N-O 2.9Å; S96-N121 PolarHBondContact O-N 3.07Å
97	G	92.2	Very high	85.3	Confident	14 Å²	14	50.5 Å²	50.5	14%	0.144	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-156.7	-170.9	0	0	0	0	0	112.2	F86 E118	F86-G97 PolarHBondContact N-O 2.99Å; F86-G97 PolarHBondContact O-N 3.49Å; G97-E118 WeakPolarHBondContact CA-O 3.4Å
98	F	94.6	Very high	85.3	Confident	16 Å²	16	48.1 Å²	48.1	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.3	177.6	63.2	-77.6	0	0	0	110	N57 S84 S100 A117 E118 R120	N57-F98 HydrophobicContact CB-CE1 4.43Å; S84-F98 CarbonylContact O-C 3.51Å; S84-F98 WeakPolarHBondContact O-CA 3.44Å; F98-S100 WeakPolarHBondContact CE2-OG 3.36Å; F98-A117 CarbonylContact O-C 3.58Å; F98-A117 WeakPolarHBondContact O-CA 3.39Å; F98-E118 HydrophobicContact CD1-CB 4Å; F98-E118 HydrophobicContact CD2-CB 4.47Å; F98-E118 HydrophobicContact CE1-CB 3.51Å; F98-E118 HydrophobicContact CE1-CG 4.4Å; F98-E118 HydrophobicContact CE2-CB 4.08Å; F98-E118 HydrophobicContact CE2-CG 4.32Å; F98-E118 WeakPolarHBondContact CE2-OE1 3.37Å; F98-E118 HydrophobicContact CG-CB 4.46Å; F98-E118 HydrophobicContact CZ-CB 3.6Å; F98-E118 HydrophobicContact CZ-CG 4Å; F98-E118 WeakPolarHBondContact CZ-OE1 3.24Å; F98-E118 VanDerWaalsContact CZ-OE2 3.31Å; F98-E118 WeakPolarHBondContact CZ-OE2 3.44Å; F98-E118 PolarHBondContact N-O 2.94Å; F98-E118 VanDerWaalsContact N-O 3.16Å; F98-E118 PolarHBondContact O-N 2.89Å; F98-R120 HydrophobicContact CD1-CG 4.13Å; F98-R120 VanDerWaalsContact CD1-CZ 3.42Å; F98-R120 VanDerWaalsContact CD1-NH2 3.28Å; F98-R120 HydrophobicContact CE1-CG 4.03Å; F98-R120 VanDerWaalsContact CE1-CZ 3.49Å
99	W	96.1	Very high	86	Confident	3 Å²	3	47.5 Å²	47.5	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	144	178	-72.4	102.4	0	0	0	111.9	D50 D82 G83 S84 F86 A115 A117 Y146 N148	D50-W99 HydrophobicContact CB-CH2 4.21Å; D50-W99 WeakPolarHBondContact OD1-CH2 3.45Å; D82-W99 HydrophobicContact CB-CB 3.98Å; D82-W99 WeakPolarHBondContact CB-O 3.29Å; D82-W99 WeakPolarHBondContact OD2-CB 3.5Å; G83-W99 PolarHBondContact N-O 2.92Å; S84-W99 PolarHBondContact O-N 3.43Å; S84-W99 VanDerWaalsContact OG-CD1 3.26Å; F86-W99 AromaticContact CD2-CE2 3.52Å; F86-W99 HydrophobicContact CD2-CH2 4.18Å; F86-W99 AromaticContact CD2-CZ2 3.32Å; F86-W99 HydrophobicContact CD2-CZ2 3.32Å; F86-W99 AromaticContact CD2-NE1 3.64Å; F86-W99 HydrophobicContact CE2-CH2 4.17Å; F86-W99 AromaticContact CE2-CZ2 3.63Å; F86-W99 HydrophobicContact CE2-CZ2 3.63Å; F86-W99 HydrophobicContact CG-CZ2 4.35Å; W99-A115 HydrophobicContact CE3-CB 4.23Å; W99-A115 HydrophobicContact CZ3-CB 4.31Å; W99-A117 HydrophobicContact CD2-CB 4.29Å; W99-A117 HydrophobicContact CE3-CB 4.22Å; W99-A117 HydrophobicContact CZ3-CB 4.4Å; W99-Y146 AromaticContact CE2-CG 3.88Å; W99-Y146 AromaticContact CZ2-CD2 3.64Å; W99-Y146 HydrophobicContact CZ2-CD2 3.64Å; W99-Y146 AromaticContact CZ2-CG 3.78Å; W99-Y146 HydrophobicContact CZ2-CG 3.78Å; W99-Y146 AromaticContact NE1-CD1 3.58Å; W99-Y146 AromaticContact NE1-CG 3.42Å; W99-N148 HydrophobicContact CE3-CB 4.47Å; W99-N148 HydrophobicContact CH2-CB 4.23Å; W99-N148 HydrophobicContact CZ3-CB 4.14Å
100	S	98	Very high	87	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.9	176.9	-74.8	0	0	0	0	108.8	F98 A115 F116 E118	F98-S100 WeakPolarHBondContact CE2-OG 3.36Å; S100-A115 CarbonylContact O-C 3.48Å; S100-A115 WeakPolarHBondContact O-CA 3.16Å; S100-F116 PolarHBondContact N-O 2.76Å; S100-F116 PolarHBondContact O-N 2.9Å; S100-E118 WeakPolarHBondContact CB-OE1 3.36Å; S100-E118 PolarHBondContact OG-OE1 2.58Å
101	V	98	Very high	88.3	Confident	26 Å²	26	40.4 Å²	40.4	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.2	175.9	176.3	0	0	0	0	108.9	Y79 V80 N113 Q114 A115	Y79-V101 CarbonylContact C-O 3.34Å; Y79-V101 WeakPolarHBondContact CA-O 3.49Å; V80-V101 HydrophobicContact CB-CB 4.1Å; V80-V101 HydrophobicContact CB-CG1 4.41Å; V80-V101 PolarHBondContact N-O 3.17Å; V80-V101 PolarHBondContact O-N 2.58Å; V101-N113 HydrophobicContact CG1-CB 4.25Å; V101-Q114 WeakPolarHBondContact CA-O 3.45Å; V101-A115 HydrophobicContact CG2-CB 4.12Å
102	D	98.5	Very high	89.6	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-176.9	175.2	-149.7	-24.4	0	0	0	111.3	V33 G34 Y71 S76 T78 Y79 Q114 F116	V33-D102 HydrophobicContact CG1-CB 4.14Å; G34-D102 VanDerWaalsContact CA-CG 3.47Å; G34-D102 WeakPolarHBondContact CA-OD1 3.43Å; G34-D102 WeakPolarHBondContact CA-OD2 3.38Å; Y71-D102 PolarHBondContact OH-OD2 3.1Å; S76-D102 WeakPolarHBondContact CB-OD2 3.15Å; S76-D102 VanDerWaalsContact OG-CG 3.27Å; S76-D102 PolarHBondContact OG-OD1 2.9Å; S76-D102 PolarHBondContact OG-OD2 3.07Å; T78-D102 VanDerWaalsContact CB-OD1 3.27Å; T78-D102 WeakPolarHBondContact CB-OD1 3.47Å; T78-D102 PolarHBondContact OG1-OD1 2.78Å; Y79-D102 PolarHBondContact N-OD1 3.13Å; D102-Q114 PolarHBondContact N-O 2.96Å; D102-Q114 VanDerWaalsContact N-O 3.08Å; D102-Q114 PolarHBondContact O-N 2.86Å; D102-F116 HydrophobicContact CB-CE1 3.67Å; D102-F116 HydrophobicContact CB-CZ 4.09Å
103	T	97.5	Very high	90.9	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.5	171.9	-58.9	0	0	0	0	110.4	V33 G34 R105 V110 I111 R112	V33-T103 CarbonylContact C-O 3.37Å; V33-T103 WeakPolarHBondContact CA-O 3.13Å; G34-T103 PolarHBondContact N-O 2.84Å; T103-R105 HydrophobicContact CG2-CG 4.39Å; T103-V110 HydrophobicContact CG2-CG1 3.7Å; T103-I111 CarbonylContact C-O 3.59Å; T103-I111 WeakPolarHBondContact CA-O 3.47Å; T103-R112 HydrophobicContact CG2-CG 4.37Å
104	I	97.1	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.6	173	-62.1	-172.5	0	0	0	109.3	I31 S32 V33 T51 F53 I106 I111 Q114 F116 M151	I31-I104 HydrophobicContact CD1-CG2 3.8Å; S32-I104 CarbonylContact O-C 3.59Å; V33-I104 HydrophobicContact CG1-CG1 4.16Å; V33-I104 HydrophobicContact CG2-CG1 4.15Å; T51-I104 HydrophobicContact CG2-CD1 4.42Å; F53-I104 HydrophobicContact CE2-CD1 3.7Å; F53-I104 HydrophobicContact CZ-CD1 3.73Å; I104-I106 HydrophobicContact CG2-CG1 4.36Å; I104-I111 HydrophobicContact CB-CB 4.49Å; I104-I111 HydrophobicContact CG2-CD1 4.46Å; I104-I111 PolarHBondContact N-O 2.84Å; I104-I111 PolarHBondContact O-N 3.09Å; I104-Q114 HydrophobicContact CD1-CB 4.05Å; I104-Q114 HydrophobicContact CD1-CG 3.64Å; I104-Q114 HydrophobicContact CG1-CB 4.11Å; I104-Q114 HydrophobicContact CG1-CG 4.25Å; I104-F116 HydrophobicContact CD1-CD1 4.17Å; I104-M151 HydrophobicContact CB-CE 4.37Å; I104-M151 HydrophobicContact CD1-CE 3.53Å; I104-M151 HydrophobicContact CG2-CE 3.86Å
105	R	94.9	Very high	93.2	Very high	59 Å²	59	34.1 Å²	34.1	22%	0.223	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.3	177.6	-60.1	-180	-175.7	77.2	-6.9	110.3	I31 S32 G34 T35 T103 L109 V110	I31-R105 WeakPolarHBondContact CB-O 3.08Å; S32-R105 PolarHBondContact N-O 2.94Å; S32-R105 PolarHBondContact O-N 2.81Å; G34-R105 PolarHBondContact O-NH1 2.78Å; T35-R105 PolarHBondContact OG1-NH2 2.86Å; T103-R105 HydrophobicContact CG2-CG 4.39Å; R105-L109 WeakPolarHBondContact CA-O 3.32Å; R105-V110 HydrophobicContact CG-CG1 4.4Å; R105-V110 HydrophobicContact CG-CG2 4.27Å
106	I	92.2	Very high	94.1	Very high	10 Å²	10	34 Å²	34	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	106.8	175.3	-52.6	179.1	0	0	0	105.9	E17 I31 F44 I104 S108 L109 I111 I136 M151	E17-I106 HydrophobicContact CB-CG2 3.78Å; E17-I106 HydrophobicContact CG-CG2 3.89Å; I31-I106 HydrophobicContact CB-CG1 4.48Å; I31-I106 HydrophobicContact CG2-CB 4.4Å; I31-I106 HydrophobicContact CG2-CG1 3.8Å; I31-I106 HydrophobicContact CG2-CG2 4.33Å; F44-I106 HydrophobicContact CE1-CD1 4.08Å; I104-I106 HydrophobicContact CG2-CG1 4.36Å; I106-S108 PolarHBondContact O-N 2.84Å; I106-L109 HydrophobicContact CB-CB 4.4Å; I106-L109 PolarHBondContact N-O 3.19Å; I106-L109 VanDerWaalsContact N-O 3.08Å; I106-L109 VanDerWaalsContact O-CB 3.32Å; I106-L109 WeakPolarHBondContact O-CB 3.5Å; I106-L109 PolarHBondContact O-N 3.25Å; I106-I111 HydrophobicContact CD1-CD1 4.05Å; I106-I111 HydrophobicContact CG1-CD1 4.32Å; I106-I136 HydrophobicContact CD1-CD1 4.35Å; I106-M151 HydrophobicContact CD1-SD 3.83Å
107	D	87.5	Confident	94.3	Very high	103 Å²	103	32.1 Å²	32.1	55%	0.551	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	-114.1	-168.7	177.8	57.6	0	0	0	111.5	T15	T15-D107 HydrophobicContact CG2-CB 3.9Å; T15-D107 WeakPolarHBondContact CG2-OD2 3.32Å
108	S	86.6	Confident	94.5	Very high	83 Å²	83	31.5 Å²	31.5	58%	0.58	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.5	-179.4	48	0	0	0	0	114.1	T15 I106	T15-S108 WeakPolarHBondContact CG2-OG 3.44Å; I106-S108 PolarHBondContact O-N 2.84Å
109	L	88.9	Confident	94.3	Very high	19 Å²	19	30.7 Å²	30.7	10%	0.099	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.9	176.8	-74.1	170.1	0	0	0	111	T15 R105 I106 V160 M162	T15-L109 HydrophobicContact CG2-CD1 3.93Å; T15-L109 HydrophobicContact CG2-CG 3.77Å; T15-L109 WeakPolarHBondContact OG1-CG 3.34Å; R105-L109 WeakPolarHBondContact CA-O 3.32Å; I106-L109 HydrophobicContact CB-CB 4.4Å; I106-L109 PolarHBondContact N-O 3.19Å; I106-L109 VanDerWaalsContact N-O 3.08Å; I106-L109 VanDerWaalsContact O-CB 3.32Å; I106-L109 WeakPolarHBondContact O-CB 3.5Å; I106-L109 PolarHBondContact O-N 3.25Å; L109-V160 HydrophobicContact CD2-CB 4.45Å; L109-V160 HydrophobicContact CD2-CG1 4Å; L109-V160 HydrophobicContact CD2-CG2 3.7Å; L109-M162 HydrophobicContact CD1-CE 4.1Å; L109-M162 HydrophobicContact CD1-SD 4.44Å; L109-M162 HydrophobicContact CD2-CE 3.7Å; L109-M162 HydrophobicContact CD2-SD 4.13Å; L109-M162 HydrophobicContact CG-CE 4.19Å
110	V	92.3	Very high	93.9	Very high	56 Å²	56	36.1 Å²	36.1	34%	0.339	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109.3	173.2	-175.7	0	0	0	0	108.9	T103 R105 R112	T103-V110 HydrophobicContact CG2-CG1 3.7Å; R105-V110 HydrophobicContact CG-CG1 4.4Å; R105-V110 HydrophobicContact CG-CG2 4.27Å; V110-R112 HydrophobicContact CG1-CG 4.32Å
111	I	93.3	Very high	93.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	103.4	-175.9	-51.3	158.3	0	0	0	107	T103 I104 I106 Q114 M151 N154 I155	T103-I111 CarbonylContact C-O 3.59Å; T103-I111 WeakPolarHBondContact CA-O 3.47Å; I104-I111 HydrophobicContact CB-CB 4.49Å; I104-I111 HydrophobicContact CG2-CD1 4.46Å; I104-I111 PolarHBondContact N-O 2.84Å; I104-I111 PolarHBondContact O-N 3.09Å; I106-I111 HydrophobicContact CD1-CD1 4.05Å; I106-I111 HydrophobicContact CG1-CD1 4.32Å; I111-Q114 HydrophobicContact CG2-CB 4.17Å; I111-M151 HydrophobicContact CD1-CG 4.07Å; I111-M151 HydrophobicContact CD1-SD 4.02Å; I111-N154 HydrophobicContact CG2-CB 4.33Å; I111-N154 WeakPolarHBondContact CG2-ND2 3.13Å; I111-I155 HydrophobicContact CD1-CD1 3.85Å; I111-I155 HydrophobicContact CD1-CG1 3.46Å; I111-I155 VanDerWaalsContact CD1-CG1 3.46Å; I111-I155 HydrophobicContact CG1-CG1 3.76Å
112	R	94.9	Very high	91.8	Very high	143 Å²	143	37.4 Å²	37.4	54%	0.54	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	155.6	-179.1	-62.5	-177.2	-178.1	88.7	-2.4	110.7	T103 V110 Q114 N154 N158	T103-R112 HydrophobicContact CG2-CG 4.37Å; V110-R112 HydrophobicContact CG1-CG 4.32Å; R112-Q114 PolarHBondContact O-N 3.31Å; R112-N154 PolarHBondContact O-ND2 3.32Å; R112-N158 PolarHBondContact N-OD1 3.05Å
113	N	95	Very high	90.1	Very high	120 Å²	120	41.2 Å²	41.2	64%	0.642	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.5	39.4	175.1	-51	-39.8	0	0	0	112.9	V101	V101-N113 HydrophobicContact CG1-CB 4.25Å
114	Q	96.3	Very high	88.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.7	177.6	-176.8	53.5	55.4	0	0	109.5	V101 D102 I104 I111 R112 F116 I149 M151 N154	V101-Q114 WeakPolarHBondContact CA-O 3.45Å; D102-Q114 PolarHBondContact N-O 2.96Å; D102-Q114 VanDerWaalsContact N-O 3.08Å; D102-Q114 PolarHBondContact O-N 2.86Å; I104-Q114 HydrophobicContact CD1-CB 4.05Å; I104-Q114 HydrophobicContact CD1-CG 3.64Å; I104-Q114 HydrophobicContact CG1-CB 4.11Å; I104-Q114 HydrophobicContact CG1-CG 4.25Å; I111-Q114 HydrophobicContact CG2-CB 4.17Å; R112-Q114 PolarHBondContact O-N 3.31Å; Q114-F116 WeakPolarHBondContact O-CD1 3.25Å; Q114-I149 PolarHBondContact NE2-O 2.82Å; Q114-M151 HydrophobicContact CG-CE 4.29Å; Q114-N154 PolarHBondContact OE1-ND2 3.19Å
115	A	96.2	Very high	86.7	Confident	10 Å²	10	47.6 Å²	47.6	8%	0.083	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.6	169.6	0	0	0	0	0	110.6	W99 S100 V101 N148	W99-A115 HydrophobicContact CE3-CB 4.23Å; W99-A115 HydrophobicContact CZ3-CB 4.31Å; S100-A115 CarbonylContact O-C 3.48Å; S100-A115 WeakPolarHBondContact O-CA 3.16Å; V101-A115 HydrophobicContact CG2-CB 4.12Å; A115-N148 HydrophobicContact CB-CB 3.79Å
116	F	96.4	Very high	85.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160	171.8	59.8	-88.9	0	0	0	109.1	V33 T51 F53 Y71 S100 D102 I104 Q114 E118	V33-F116 HydrophobicContact CG1-CE1 3.97Å; V33-F116 HydrophobicContact CG1-CZ 3.98Å; T51-F116 HydrophobicContact CG2-CB 3.76Å; T51-F116 CarbonylContact O-C 3.59Å; T51-F116 VanDerWaalsContact O-CA 3.22Å; T51-F116 WeakPolarHBondContact O-CA 2.89Å; T51-F116 WeakPolarHBondContact O-CB 3.43Å; F53-F116 HydrophobicContact CD2-CB 4.33Å; F53-F116 HydrophobicContact CD2-CD1 4.4Å; F53-F116 AromaticContact CD2-CD2 3.38Å; F53-F116 HydrophobicContact CD2-CD2 3.38Å; F53-F116 AromaticContact CD2-CE2 3.7Å; F53-F116 HydrophobicContact CD2-CE2 3.7Å; F53-F116 AromaticContact CD2-CG 3.78Å; F53-F116 HydrophobicContact CD2-CG 3.78Å; F53-F116 HydrophobicContact CD2-CZ 4.34Å; F53-F116 HydrophobicContact CE2-CB 4.01Å; F53-F116 HydrophobicContact CE2-CD1 4Å; F53-F116 AromaticContact CE2-CD2 3.77Å; F53-F116 HydrophobicContact CE2-CD2 3.77Å; F53-F116 HydrophobicContact CE2-CE1 4.45Å; F53-F116 HydrophobicContact CE2-CE2 4.24Å; F53-F116 AromaticContact CE2-CG 3.64Å; F53-F116 HydrophobicContact CE2-CG 3.64Å; F53-F116 HydrophobicContact CG-CD2 4.4Å; Y71-F116 AromaticContact CD1-CE2 3.77Å; Y71-F116 HydrophobicContact CD1-CE2 3.77Å; Y71-F116 HydrophobicContact CD1-CZ 4.01Å; Y71-F116 AromaticContact CE1-CE2 3.69Å; Y71-F116 HydrophobicContact CE1-CE2 3.69Å; Y71-F116 AromaticContact CE1-CZ 3.51Å; Y71-F116 HydrophobicContact CE1-CZ 3.51Å; Y71-F116 HydrophobicContact CE2-CZ 4.26Å; Y71-F116 HydrophobicContact CG-CE2 4.4Å; Y71-F116 AromaticContact CZ-CZ 3.65Å; S100-F116 PolarHBondContact N-O 2.76Å; S100-F116 PolarHBondContact O-N 2.9Å; D102-F116 HydrophobicContact CB-CE1 3.67Å; D102-F116 HydrophobicContact CB-CZ 4.09Å; I104-F116 HydrophobicContact CD1-CD1 4.17Å; Q114-F116 WeakPolarHBondContact O-CD1 3.25Å; F116-E118 HydrophobicContact CD2-CG 4.48Å; F116-E118 HydrophobicContact CE2-CG 3.91Å
117	A	94.9	Very high	83.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.1	177.1	0	0	0	0	0	111.2	T51 W52 F53 F86 F98 W99 M119	T51-A117 PolarHBondContact O-N 3.16Å; W52-A117 CarbonylContact C-O 3.56Å; W52-A117 WeakPolarHBondContact CA-O 3.37Å; W52-A117 HydrophobicContact CB-CB 4.12Å; W52-A117 WeakPolarHBondContact CB-O 3.46Å; F53-A117 PolarHBondContact N-O 2.64Å; F86-A117 HydrophobicContact CB-CB 3.71Å; F86-A117 HydrophobicContact CD1-CB 3.4Å; F86-A117 HydrophobicContact CD2-CB 3.9Å; F86-A117 HydrophobicContact CE1-CB 3.85Å; F86-A117 HydrophobicContact CE2-CB 4.33Å; F86-A117 HydrophobicContact CG-CB 3.37Å; F86-A117 HydrophobicContact CZ-CB 4.29Å; F98-A117 CarbonylContact O-C 3.58Å; F98-A117 WeakPolarHBondContact O-CA 3.39Å; W99-A117 HydrophobicContact CD2-CB 4.29Å; W99-A117 HydrophobicContact CE3-CB 4.22Å; W99-A117 HydrophobicContact CZ3-CB 4.4Å; A117-M119 HydrophobicContact CB-CE 3.18Å; A117-M119 WeakPolarHBondContact O-CE 3.33Å
118	E	94.6	Very high	82.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108.3	171.4	-82.3	-165.4	-120.5	0	0	109.7	S55 Y71 S73 G97 F98 S100 F116 R120	S55-E118 WeakPolarHBondContact CB-OE2 3.19Å; S55-E118 PolarHBondContact OG-OE2 2.59Å; Y71-E118 HydrophobicContact CD1-CG 3.86Å; Y71-E118 HydrophobicContact CE1-CG 4.18Å; S73-E118 PolarHBondContact OG-OE1 3.46Å; G97-E118 WeakPolarHBondContact CA-O 3.4Å; F98-E118 HydrophobicContact CD1-CB 4Å; F98-E118 HydrophobicContact CD2-CB 4.47Å; F98-E118 HydrophobicContact CE1-CB 3.51Å; F98-E118 HydrophobicContact CE1-CG 4.4Å; F98-E118 HydrophobicContact CE2-CB 4.08Å; F98-E118 HydrophobicContact CE2-CG 4.32Å; F98-E118 WeakPolarHBondContact CE2-OE1 3.37Å; F98-E118 HydrophobicContact CG-CB 4.46Å; F98-E118 HydrophobicContact CZ-CB 3.6Å; F98-E118 HydrophobicContact CZ-CG 4Å; F98-E118 WeakPolarHBondContact CZ-OE1 3.24Å; F98-E118 VanDerWaalsContact CZ-OE2 3.31Å; F98-E118 WeakPolarHBondContact CZ-OE2 3.44Å; F98-E118 PolarHBondContact N-O 2.94Å; F98-E118 VanDerWaalsContact N-O 3.16Å; F98-E118 PolarHBondContact O-N 2.89Å; S100-E118 WeakPolarHBondContact CB-OE1 3.36Å; S100-E118 PolarHBondContact OG-OE1 2.58Å; F116-E118 HydrophobicContact CD2-CG 4.48Å; F116-E118 HydrophobicContact CE2-CG 3.91Å; E118-R120 PolarHBondContact O-N 2.76Å
119	M	90.2	Very high	82.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.4	-178.8	-63.3	-53.7	98.5	0	0	110.8	W52 F53 S55 F86 I95 A117 I122	W52-M119 HydrophobicContact CB-CE 3.61Å; W52-M119 HydrophobicContact CB-CG 4.07Å; W52-M119 HydrophobicContact CB-SD 4.24Å; W52-M119 HydrophobicContact CD2-CG 3.82Å; W52-M119 HydrophobicContact CD2-SD 4.49Å; W52-M119 HydrophobicContact CE3-CB 4.4Å; W52-M119 HydrophobicContact CE3-CG 3.36Å; W52-M119 HydrophobicContact CG-CE 4.33Å; W52-M119 HydrophobicContact CG-CG 4.15Å; W52-M119 HydrophobicContact CG-SD 4.38Å; W52-M119 HydrophobicContact CZ3-CG 4.06Å; F53-M119 PolarHBondContact O-N 3.47Å; S55-M119 WeakPolarHBondContact CB-O 3.29Å; S55-M119 PolarHBondContact N-O 3.42Å; F86-M119 HydrophobicContact CD1-CE 3.25Å; F86-M119 HydrophobicContact CD1-SD 4.01Å; F86-M119 HydrophobicContact CE1-CE 3.53Å; F86-M119 HydrophobicContact CE1-SD 4.01Å; F86-M119 HydrophobicContact CG-CE 4.27Å; I95-M119 HydrophobicContact CB-SD 4.48Å; I95-M119 HydrophobicContact CG2-CB 4.3Å; I95-M119 HydrophobicContact CG2-CG 3.89Å; I95-M119 HydrophobicContact CG2-SD 3.44Å; I95-M119 WeakPolarHBondContact CG2-SD 3.36Å; A117-M119 HydrophobicContact CB-CE 3.18Å; A117-M119 WeakPolarHBondContact O-CE 3.33Å; M119-I122 HydrophobicContact CB-CD1 3.84Å; M119-I122 HydrophobicContact CB-CG1 3.7Å
120	R	88.2	Confident	81.7	Confident	117 Å²	117	47.6 Å²	47.6	44%	0.442	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-30.7	176.8	-68.3	-170	179.7	159.7	5.8	113.4	N57 C58 W59 S96 F98 E118	N57-R120 HydrophobicContact CB-CG 4.27Å; C58-R120 WeakPolarHBondContact CA-O 3.45Å; W59-R120 PolarHBondContact N-O 2.96Å; S96-R120 PolarHBondContact O-N 2.94Å; F98-R120 HydrophobicContact CD1-CG 4.13Å; F98-R120 VanDerWaalsContact CD1-CZ 3.42Å; F98-R120 VanDerWaalsContact CD1-NH2 3.28Å; F98-R120 HydrophobicContact CE1-CG 4.03Å; F98-R120 VanDerWaalsContact CE1-CZ 3.49Å; E118-R120 PolarHBondContact O-N 2.76Å
121	N	81	Confident	81.3	Confident	50 Å²	50	48.6 Å²	48.6	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.4	176.7	-176.8	-44.8	0	0	0	107.8	I95 S96 F123	I95-N121 WeakPolarHBondContact CG2-O 3.16Å; S96-N121 PolarHBondContact N-O 2.9Å; S96-N121 PolarHBondContact O-N 3.07Å; N121-F123 WeakPolarHBondContact OD1-CB 3Å; N121-F123 WeakPolarHBondContact OD1-CD2 3.46Å; N121-F123 PolarHBondContact OD1-N 2.94Å; N121-F123 VanDerWaalsContact OD1-N 3.14Å
122	I	71.9	Confident	81.1	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.24	C	C	.	.			trans	-118.9	27.6	179.7	-46.8	172.8	0	0	0	108.7	A54 F68 M119 S124 Y127	A54-I122 HydrophobicContact CB-CD1 3.6Å; F68-I122 HydrophobicContact CE2-CG2 4.4Å; M119-I122 HydrophobicContact CB-CD1 3.84Å; M119-I122 HydrophobicContact CB-CG1 3.7Å; I122-S124 PolarHBondContact O-N 3.14Å; I122-Y127 HydrophobicContact CG2-CD1 4.16Å; I122-Y127 HydrophobicContact CG2-CG 4.2Å
123	F	62.4	Low	81	Confident	81 Å²	81	42.9 Å²	42.9	36%	0.355	21%	0.214	S	C	.	.			trans	-68.7	93.7	-176	-83.5	-82.6	0	0	0	110.9	W59 D62 F64 N121	W59-F123 AromaticContact CE3-CE2 3.81Å; W59-F123 HydrophobicContact CE3-CE2 3.81Å; W59-F123 HydrophobicContact CE3-CZ 4.41Å; W59-F123 HydrophobicContact CZ3-CE2 4.26Å; D62-F123 HydrophobicContact CB-CD2 4.34Å; D62-F123 HydrophobicContact CB-CE1 4.2Å; D62-F123 HydrophobicContact CB-CE2 3.45Å; D62-F123 VanDerWaalsContact CB-CE2 3.45Å; D62-F123 HydrophobicContact CB-CZ 3.36Å; D62-F123 VanDerWaalsContact CG-CE2 3.44Å; D62-F123 VanDerWaalsContact CG-CZ 3.44Å; D62-F123 WeakPolarHBondContact OD2-CD2 3.31Å; D62-F123 WeakPolarHBondContact OD2-CE2 3.39Å; F64-F123 AromaticContact CD2-CD1 3.94Å; F64-F123 HydrophobicContact CD2-CD1 3.94Å; F64-F123 HydrophobicContact CD2-CE1 4.2Å; F64-F123 AromaticContact CE2-CD1 3.75Å; F64-F123 HydrophobicContact CE2-CD1 3.75Å; F64-F123 HydrophobicContact CE2-CE1 4.08Å; N121-F123 WeakPolarHBondContact OD1-CB 3Å; N121-F123 WeakPolarHBondContact OD1-CD2 3.46Å; N121-F123 PolarHBondContact OD1-N 2.94Å; N121-F123 VanDerWaalsContact OD1-N 3.14Å
124	S	66	Low	80.8	Confident	8 Å²	8	37.2 Å²	37.2	6%	0.056	18%	0.184	C	C	.	.			trans	-154.7	131.3	167.3	174.3	0	0	0	0	110	S93 I122 D126 Y127	S93-S124 WeakPolarHBondContact OG-CB 3.4Å; S93-S124 PolarHBondContact OG-OG 3.38Å; I122-S124 PolarHBondContact O-N 3.14Å; S124-D126 PolarHBondContact O-N 2.93Å; S124-D126 PolarHBondContact OG-N 3.37Å; S124-Y127 VanDerWaalsContact CB-CD2 3.49Å; S124-Y127 PolarHBondContact O-N 2.83Å
125	L	56.8	Low	80.6	Confident	134 Å²	134	37.3 Å²	37.3	70%	0.702	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-57.5	-28.9	176.8	-66.9	175.5	0	0	0	111.3	Y127 I128	L125-Y127 PolarHBondContact O-N 2.85Å; L125-I128 HydrophobicContact CB-CD1 4.4Å; L125-I128 HydrophobicContact CD2-CD1 3.52Å; L125-I128 WeakPolarHBondContact O-CB 3.16Å; L125-I128 WeakPolarHBondContact O-CG1 3.31Å; L125-I128 PolarHBondContact O-N 3.15Å
126	D	63.4	Low	80.5	Confident	86 Å²	86	36.8 Å²	36.8	46%	0.46	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-64.1	-20.8	178.2	-60.3	-23.8	0	0	0	112.5	S124 N130	S124-D126 PolarHBondContact O-N 2.93Å; S124-D126 PolarHBondContact OG-N 3.37Å; D126-N130 PolarHBondContact O-ND2 2.88Å
127	Y	65.6	Low	80.2	Confident	17 Å²	17	36.9 Å²	36.9	7%	0.067	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-91.8	-10.5	-179.6	-71.2	-100.4	0	0	0	113.8	W52 I95 I122 S124 L125 T129 N130 Y132	W52-Y127 HydrophobicContact CH2-CD1 4.43Å; W52-Y127 AromaticContact CH2-CE1 3.76Å; W52-Y127 HydrophobicContact CH2-CE1 3.76Å; W52-Y127 HydrophobicContact CZ2-CE1 4.07Å; I95-Y127 HydrophobicContact CD1-CE1 4.26Å; I95-Y127 HydrophobicContact CD1-CE2 3.64Å; I95-Y127 VanDerWaalsContact CD1-CZ 3.45Å; I95-Y127 VanDerWaalsContact CD1-OH 3.25Å; I95-Y127 WeakPolarHBondContact CD1-OH 3.21Å; I122-Y127 HydrophobicContact CG2-CD1 4.16Å; I122-Y127 HydrophobicContact CG2-CG 4.2Å; S124-Y127 VanDerWaalsContact CB-CD2 3.49Å; S124-Y127 PolarHBondContact O-N 2.83Å; L125-Y127 PolarHBondContact O-N 2.85Å; Y127-T129 VanDerWaalsContact C-N 3.27Å; Y127-T129 PolarHBondContact O-N 2.95Å; Y127-N130 WeakPolarHBondContact CA-ND2 3.14Å; Y127-N130 VanDerWaalsContact CD1-ND2 3.29Å; Y127-N130 WeakPolarHBondContact CD1-ND2 3.35Å; Y127-N130 WeakPolarHBondContact O-CB 3.43Å; Y127-N130 PolarHBondContact O-N 3.46Å; Y127-N130 VanDerWaalsContact O-N 3.12Å; Y127-Y132 HydrophobicContact CE1-CE2 4.32Å
128	I	63.4	Low	80	Confident	65 Å²	65	37.5 Å²	37.5	33%	0.333	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-37.2	-177.7	-61.5	177.2	0	0	0	111.7	F64 M67 L125 N130	F64-I128 HydrophobicContact CD1-CD1 4.2Å; F64-I128 HydrophobicContact CD1-CG1 3.73Å; F64-I128 HydrophobicContact CE1-CD1 3.3Å; F64-I128 HydrophobicContact CE1-CG1 3.34Å; F64-I128 HydrophobicContact CZ-CD1 3.67Å; F64-I128 HydrophobicContact CZ-CG1 4Å; M67-I128 HydrophobicContact CE-CB 4.31Å; M67-I128 HydrophobicContact CE-CG1 4.41Å; M67-I128 HydrophobicContact CE-CG2 4.17Å; M67-I128 HydrophobicContact SD-CG2 4.38Å; L125-I128 HydrophobicContact CB-CD1 4.4Å; L125-I128 HydrophobicContact CD2-CD1 3.52Å; L125-I128 WeakPolarHBondContact O-CB 3.16Å; L125-I128 WeakPolarHBondContact O-CG1 3.31Å; L125-I128 PolarHBondContact O-N 3.15Å; I128-N130 VanDerWaalsContact C-N 3.33Å
129	T	72	Confident	79.6	Confident	88 Å²	88	38.2 Å²	38.2	54%	0.54	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.8	-179.4	51	0	0	0	0	113	Y127	Y127-T129 VanDerWaalsContact C-N 3.27Å; Y127-T129 PolarHBondContact O-N 2.95Å
130	N	80.1	Confident	79	Confident	18 Å²	18	43.8 Å²	43.8	10%	0.096	23%	0.228	C	C	.	.			trans	-70.7	140	-175.5	-71.3	-17	0	0	0	111.5	Q26 D126 Y127 I128 Y132	Q26-N130 PolarHBondContact NE2-OD1 2.87Å; D126-N130 PolarHBondContact O-ND2 2.88Å; Y127-N130 WeakPolarHBondContact CA-ND2 3.14Å; Y127-N130 VanDerWaalsContact CD1-ND2 3.29Å; Y127-N130 WeakPolarHBondContact CD1-ND2 3.35Å; Y127-N130 WeakPolarHBondContact O-CB 3.43Å; Y127-N130 PolarHBondContact O-N 3.46Å; Y127-N130 VanDerWaalsContact O-N 3.12Å; I128-N130 VanDerWaalsContact C-N 3.33Å; N130-Y132 HydrophobicContact CB-CD1 4Å; N130-Y132 HydrophobicContact CB-CE1 3.71Å; N130-Y132 VanDerWaalsContact CG-CE1 3.46Å; N130-Y132 VanDerWaalsContact ND2-CZ 3.33Å; N130-Y132 PolarHBondContact ND2-OH 2.99Å
131	K	85.2	Confident	78.5	Confident	77 Å²	77	46.4 Å²	46.4	34%	0.335	24%	0.238	S	C	.	.			trans	-102.2	4.2	177.6	-59.1	-53.8	179.9	-167.6	0	112.8	F22 Y28 R41	F22-K131 HydrophobicContact CB-CG 4.43Å; F22-K131 HydrophobicContact CD1-CG 3.83Å; F22-K131 HydrophobicContact CD2-CG 3.71Å; F22-K131 HydrophobicContact CE1-CG 3.95Å; F22-K131 HydrophobicContact CE2-CD 4.29Å; F22-K131 VanDerWaalsContact CE2-CE 3.49Å; F22-K131 HydrophobicContact CE2-CG 3.85Å; F22-K131 HydrophobicContact CG-CB 4.49Å; F22-K131 HydrophobicContact CG-CG 3.7Å; F22-K131 HydrophobicContact CZ-CD 4.36Å; F22-K131 VanDerWaalsContact CZ-CE 3.43Å; F22-K131 HydrophobicContact CZ-CG 3.98Å; Y28-K131 HydrophobicContact CD1-CB 4.22Å; Y28-K131 HydrophobicContact CE1-CB 3.5Å; Y28-K131 HydrophobicContact CE1-CG 4.46Å; R41-K131 WeakPolarHBondContact CD-O 3.5Å; R41-K131 PolarHBondContact NE-O 3.09Å; R41-K131 VanDerWaalsContact NE-O 3.09Å; R41-K131 PolarHBondContact NH1-O 2.89Å
132	Y	88.9	Confident	78.4	Confident	24 Å²	24	53.9 Å²	53.9	9%	0.094	26%	0.263	C	S	.	.			trans	-107.6	151.4	175.2	62.9	-93.5	0	0	0	111.5	R41 L43 W52 F68 Y127 N130 G134 V135	R41-Y132 CarbonylContact O-C 3.59Å; L43-Y132 HydrophobicContact CB-CD1 4.33Å; L43-Y132 HydrophobicContact CB-CD2 4.35Å; L43-Y132 HydrophobicContact CB-CG 4.22Å; W52-Y132 HydrophobicContact CH2-CE2 4.18Å; F68-Y132 WeakPolarHBondContact CD1-O 3.48Å; F68-Y132 VanDerWaalsContact CE1-O 3.3Å; F68-Y132 WeakPolarHBondContact CE1-O 3.46Å; Y127-Y132 HydrophobicContact CE1-CE2 4.32Å; N130-Y132 HydrophobicContact CB-CD1 4Å; N130-Y132 HydrophobicContact CB-CE1 3.71Å; N130-Y132 VanDerWaalsContact CG-CE1 3.46Å; N130-Y132 VanDerWaalsContact ND2-CZ 3.33Å; N130-Y132 PolarHBondContact ND2-OH 2.99Å; Y132-G134 WeakPolarHBondContact CD2-O 3.39Å; Y132-V135 HydrophobicContact CD2-CG2 4.42Å; Y132-V135 HydrophobicContact CE2-CG2 3.9Å
133	D	91.5	Very high	78.7	Confident	2 Å²	2	59 Å²	59	1%	0.011	29%	0.289	C	S	.	.	S	Bend	trans	-101.9	-3.8	-178.3	-51.2	-57.2	0	0	0	112.3	L40 R41 A54 F68 R69	L40-D133 HydrophobicContact CB-CB 4.44Å; L40-D133 HydrophobicContact CD2-CB 4.29Å; R41-D133 VanDerWaalsContact CB-OD2 3.29Å; R41-D133 WeakPolarHBondContact CB-OD2 3.21Å; R41-D133 WeakPolarHBondContact CG-OD2 3.3Å; R41-D133 IonicContact CZ-OD1 2.72Å; R41-D133 IonicContact CZ-OD2 3.66Å; R41-D133 PolarHBondContact N-OD2 3.06Å; R41-D133 IonicContact NE-OD1 2.89Å; R41-D133 PolarHBondContact NE-OD1 2.72Å; R41-D133 IonicContact NE-OD2 3.71Å; R41-D133 PolarHBondContact NE-OD2 3.42Å; R41-D133 IonicContact NH2-OD1 3.46Å; R41-D133 PolarHBondContact NH2-OD1 2.84Å; R41-D133 IonicContact NH2-OD2 3.55Å; R41-D133 WeakPolarHBondContact O-CA 3.09Å; R41-D133 PolarHBondContact O-N 3.24Å; A54-D133 WeakPolarHBondContact CB-O 3.29Å; A54-D133 PolarHBondContact N-O 2.7Å; F68-D133 WeakPolarHBondContact CA-OD1 3.35Å; R69-D133 HydrophobicContact CB-CB 4.4Å; R69-D133 WeakPolarHBondContact CB-OD2 3.08Å; R69-D133 PolarHBondContact N-OD1 2.73Å; R69-D133 WeakPolarHBondContact O-CB 3.14Å
134	G	92.1	Very high	79.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-176.7	176.8	0	0	0	0	0	114	R41 V42 L43 W52 Y132	R41-G134 PolarHBondContact O-N 3.46Å; V42-G134 VanDerWaalsContact CA-O 3.29Å; V42-G134 WeakPolarHBondContact CA-O 3.47Å; L43-G134 PolarHBondContact N-O 3.33Å; W52-G134 CarbonylContact O-C 3.54Å; W52-G134 WeakPolarHBondContact O-CA 3.39Å; Y132-G134 WeakPolarHBondContact CD2-O 3.39Å
135	V	92.2	Very high	80.3	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.5	-177.5	174.8	0	0	0	0	109.6	L43 D45 T51 W52 Y132	L43-V135 HydrophobicContact CB-CG2 4.25Å; L43-V135 CarbonylContact O-C 3.5Å; L43-V135 WeakPolarHBondContact O-CA 3.39Å; D45-V135 HydrophobicContact CB-CG1 3.45Å; D45-V135 VanDerWaalsContact CB-CG1 3.45Å; T51-V135 CarbonylContact C-O 3.53Å; T51-V135 VanDerWaalsContact CA-O 3.28Å; T51-V135 WeakPolarHBondContact CA-O 3.48Å; T51-V135 WeakPolarHBondContact CG2-O 3.46Å; W52-V135 HydrophobicContact CD2-CB 4.3Å; W52-V135 HydrophobicContact CD2-CG2 4.48Å; W52-V135 HydrophobicContact CH2-CG2 4.03Å; W52-V135 HydrophobicContact CZ2-CB 3.95Å; W52-V135 HydrophobicContact CZ2-CG2 3.26Å; W52-V135 PolarHBondContact N-O 3.09Å; W52-V135 PolarHBondContact O-N 3.03Å; Y132-V135 HydrophobicContact CD2-CG2 4.42Å; Y132-V135 HydrophobicContact CE2-CG2 3.9Å
136	I	93.2	Very high	81.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.7	165.9	-66.6	171.9	0	0	0	107.7	I31 V42 L43 F44 D45 T51 I106 M138 M151	I31-I136 HydrophobicContact CD1-CD1 4.12Å; I31-I136 HydrophobicContact CG2-CD1 4.36Å; V42-I136 HydrophobicContact CB-CD1 4.2Å; V42-I136 HydrophobicContact CB-CG1 4.27Å; V42-I136 HydrophobicContact CG2-CD1 3.64Å; V42-I136 HydrophobicContact CG2-CG1 4.24Å; L43-I136 PolarHBondContact O-N 3.45Å; F44-I136 HydrophobicContact CD1-CB 4.09Å; F44-I136 HydrophobicContact CD1-CD1 4.05Å; F44-I136 HydrophobicContact CD1-CG2 4.17Å; F44-I136 HydrophobicContact CE1-CB 4.47Å; F44-I136 HydrophobicContact CE1-CD1 3.57Å; F44-I136 HydrophobicContact CZ-CD1 4.18Å; D45-I136 PolarHBondContact N-O 2.97Å; T51-I136 HydrophobicContact CG2-CG1 4.05Å; I106-I136 HydrophobicContact CD1-CD1 4.35Å; I136-M138 HydrophobicContact CG2-CG 4.2Å; I136-M138 HydrophobicContact CG2-SD 3.66Å; I136-M138 PolarHBondContact O-N 3.24Å; I136-M151 HydrophobicContact CB-CE 4.44Å; I136-M151 HydrophobicContact CB-SD 4.4Å; I136-M151 HydrophobicContact CD1-CE 3.71Å; I136-M151 HydrophobicContact CD1-SD 3.8Å; I136-M151 HydrophobicContact CG1-CE 3.76Å; I136-M151 HydrophobicContact CG1-SD 4.16Å; I136-M151 HydrophobicContact CG2-CB 4.09Å; I136-M151 HydrophobicContact CG2-CE 3.85Å; I136-M151 HydrophobicContact CG2-CG 4.32Å; I136-M151 HydrophobicContact CG2-SD 3.37Å; I136-M151 WeakPolarHBondContact CG2-SD 3.39Å
137	G	91.4	Very high	82.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.7	169.4	0	0	0	0	0	112.4	S48 D50	S48-G137 CarbonylContact O-C 3.58Å; S48-G137 WeakPolarHBondContact O-CA 3.48Å; D50-G137 PolarHBondContact O-N 3.05Å
138	M	88.9	Confident	83.6	Confident	14 Å²	14	60.5 Å²	60.5	7%	0.069	30%	0.301	C	S	.	.			trans	-116.6	9.3	-176.6	-64.6	-61.7	-66.2	0	0	112.9	F44 D45 S48 I136 F152 F166	F44-M138 HydrophobicContact CB-CG 4.13Å; F44-M138 HydrophobicContact CD1-CG 4.33Å; F44-M138 HydrophobicContact CD1-SD 4.25Å; D45-M138 PolarHBondContact O-N 2.57Å; S48-M138 PolarHBondContact O-N 3.13Å; I136-M138 HydrophobicContact CG2-CG 4.2Å; I136-M138 HydrophobicContact CG2-SD 3.66Å; I136-M138 PolarHBondContact O-N 3.24Å; M138-F152 HydrophobicContact CE-CD2 4.05Å; M138-F166 HydrophobicContact CB-CE1 4.32Å; M138-F166 HydrophobicContact CB-CE2 4.47Å; M138-F166 HydrophobicContact CB-CZ 4Å; M138-F166 HydrophobicContact CE-CB 4.28Å; M138-F166 HydrophobicContact CE-CD1 3.69Å; M138-F166 HydrophobicContact CE-CD2 4.19Å; M138-F166 HydrophobicContact CE-CE1 4.01Å; M138-F166 HydrophobicContact CE-CG 3.78Å; M138-F166 HydrophobicContact CE-CZ 4.41Å
139	S	86.9	Confident	84.8	Confident	15 Å²	15	62 Å²	62	11%	0.105	31%	0.308	C	S	.	.			trans	-59.2	158	175	71.9	0	0	0	0	112.4	T46 S48 T49 R141	T46-S139 WeakPolarHBondContact O-CA 3.44Å; S48-S139 WeakPolarHBondContact O-CB 3.37Å; S48-S139 PolarHBondContact O-N 3.2Å; S48-S139 PolarHBondContact O-OG 3.15Å; S48-S139 VanDerWaalsContact O-OG 3.13Å; T49-S139 VanDerWaalsContact CA-OG 3.3Å; T49-S139 WeakPolarHBondContact CA-OG 3.45Å; T49-S139 WeakPolarHBondContact CB-OG 3.35Å; T49-S139 PolarHBondContact OG1-OG 2.57Å; S139-R141 PolarHBondContact O-N 2.84Å; S139-R141 VanDerWaalsContact O-N 3.09Å
140	S	77.1	Confident	85.6	Confident	117 Å²	117	58 Å²	58	82%	0.818	28%	0.284	S	S	*	.	S	Bend	trans	-73.2	3.9	-179.7	60.4	0	0	0	0	115
141	R	79.4	Confident	86	Confident	172 Å²	172	57.2 Å²	57.2	65%	0.649	28%	0.28	S	S	*	.			trans	-67.7	136.7	-179.9	-64.3	-161.9	-171.6	-124.8	-1.5	110.4	T49 S139 P150	T49-R141 HydrophobicContact CG2-CB 3.74Å; T49-R141 HydrophobicContact CG2-CG 4.47Å; T49-R141 VanDerWaalsContact OG1-CD 3.28Å; T49-R141 WeakPolarHBondContact OG1-CD 3Å; S139-R141 PolarHBondContact O-N 2.84Å; S139-R141 VanDerWaalsContact O-N 3.09Å; R141-P150 WeakPolarHBondContact O-CG 2.99Å
142	R	77.1	Confident	86.1	Confident	207 Å²	207	55 Å²	55	78%	0.781	27%	0.271	S	S	*	.	S	Bend	trans	-83.5	-22.2	180	-68.2	-177.6	178.1	-101.6	-0.5	113.8	P150	R142-P150 VanDerWaalsContact O-CD 3.22Å; R142-P150 WeakPolarHBondContact O-CD 3.14Å
143	I	79.3	Confident	85.9	Confident	109 Å²	109	55.3 Å²	55.3	56%	0.559	28%	0.275	S	S	*	.	S	Bend	trans	-143.7	138.2	-176.1	-56.9	177.6	0	0	0	107.3
144	S	81	Confident	85.8	Confident	9 Å²	9	56 Å²	56	6%	0.063	28%	0.279	C	S	.	.			trans	-73.5	168.8	172.9	73.9	0	0	0	0	112.6	D50 Y146 G147 N148	D50-S144 WeakPolarHBondContact OD1-CB 3.47Å; D50-S144 PolarHBondContact OD1-OG 3.18Å; S144-Y146 PolarHBondContact O-N 3.47Å; S144-Y146 PolarHBondContact OG-N 3.03Å; S144-Y146 VanDerWaalsContact OG-N 3.17Å; S144-G147 PolarHBondContact O-N 2.93Å; S144-G147 PolarHBondContact OG-N 3.37Å; S144-N148 PolarHBondContact N-O 3.07Å; S144-N148 PolarHBondContact OG-N 2.88Å; S144-N148 PolarHBondContact OG-O 3.41Å
145	K	80.7	Confident	85.5	Confident	187 Å²	187	56.7 Å²	56.7	81%	0.813	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.8	170.3	-177.5	-178.2	173.6	-171.3	0	112.2
146	Y	82.3	Confident	85.1	Confident	78 Å²	78	59.4 Å²	59.4	31%	0.306	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	1.7	-177	-64.3	-87.2	0	0	0	113.8	F86 Q87 W99 S144 N148	F86-Y146 AromaticContact CD2-CD2 3.83Å; F86-Y146 HydrophobicContact CD2-CD2 3.83Å; F86-Y146 AromaticContact CD2-CE2 3.53Å; F86-Y146 HydrophobicContact CD2-CE2 3.53Å; F86-Y146 HydrophobicContact CD2-CG 4.47Å; F86-Y146 AromaticContact CD2-CZ 3.93Å; F86-Y146 AromaticContact CE2-CD2 3.98Å; F86-Y146 HydrophobicContact CE2-CD2 3.98Å; F86-Y146 AromaticContact CE2-CE2 3.64Å; F86-Y146 HydrophobicContact CE2-CE2 3.64Å; Q87-Y146 PolarHBondContact N-OH 2.97Å; Q87-Y146 PolarHBondContact O-OH 2.87Å; W99-Y146 AromaticContact CE2-CG 3.88Å; W99-Y146 AromaticContact CZ2-CD2 3.64Å; W99-Y146 HydrophobicContact CZ2-CD2 3.64Å; W99-Y146 AromaticContact CZ2-CG 3.78Å; W99-Y146 HydrophobicContact CZ2-CG 3.78Å; W99-Y146 AromaticContact NE1-CD1 3.58Å; W99-Y146 AromaticContact NE1-CG 3.42Å; S144-Y146 PolarHBondContact O-N 3.47Å; S144-Y146 PolarHBondContact OG-N 3.03Å; S144-Y146 VanDerWaalsContact OG-N 3.17Å; Y146-N148 VanDerWaalsContact C-N 3.28Å; Y146-N148 PolarHBondContact O-N 2.77Å
147	G	84.7	Confident	84.6	Confident	53 Å²	53	63.1 Å²	63.1	55%	0.546	33%	0.327	S	S	.	.	S	Bend	trans	84.3	-2.1	-179.7	0	0	0	0	0	114.7	S144	S144-G147 PolarHBondContact O-N 2.93Å; S144-G147 PolarHBondContact OG-N 3.37Å
148	N	88.1	Confident	83.9	Confident	31 Å²	31	65.5 Å²	65.5	17%	0.166	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-78.9	148.6	177.6	-76	-38.8	0	0	0	111.6	W99 A115 S144 Y146 P150	W99-N148 HydrophobicContact CE3-CB 4.47Å; W99-N148 HydrophobicContact CH2-CB 4.23Å; W99-N148 HydrophobicContact CZ3-CB 4.14Å; A115-N148 HydrophobicContact CB-CB 3.79Å; S144-N148 PolarHBondContact N-O 3.07Å; S144-N148 PolarHBondContact OG-N 2.88Å; S144-N148 PolarHBondContact OG-O 3.41Å; Y146-N148 VanDerWaalsContact C-N 3.28Å; Y146-N148 PolarHBondContact O-N 2.77Å; N148-P150 VanDerWaalsContact O-CD 3.3Å; N148-P150 WeakPolarHBondContact O-CD 3.44Å
149	I	88	Confident	82.7	Confident	95 Å²	95	67.7 Å²	67.7	49%	0.487	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-78.8	118.7	178	-58.4	178.1	0	0	0	108.7	Q114 P153 N154	Q114-I149 PolarHBondContact NE2-O 2.82Å; I149-P153 HydrophobicContact CG2-CB 3.94Å; I149-N154 HydrophobicContact CG2-CB 4.03Å
150	P	89.7	Confident	81.7	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.039	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-62.5	160.7	175.4	-24.1	38.1	0	0	0	111.7	T49 R141 R142 N148 F152 P153 N154	T49-P150 HydrophobicContact CG2-CB 3.99Å; T49-P150 HydrophobicContact CG2-CG 3.37Å; R141-P150 WeakPolarHBondContact O-CG 2.99Å; R142-P150 VanDerWaalsContact O-CD 3.22Å; R142-P150 WeakPolarHBondContact O-CD 3.14Å; N148-P150 VanDerWaalsContact O-CD 3.3Å; N148-P150 WeakPolarHBondContact O-CD 3.44Å; P150-F152 PolarHBondContact O-N 2.72Å; P150-P153 HydrophobicContact CB-CG 4.43Å; P150-P153 WeakPolarHBondContact O-CD 3.49Å; P150-N154 PolarHBondContact O-N 2.89Å
151	M	89.3	Confident	81.4	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-44.6	-172.5	-174.3	177.5	-71.3	0	0	113.1	T51 I104 I106 I111 Q114 I136 N154 I155	T51-M151 HydrophobicContact CG2-CE 4.11Å; I104-M151 HydrophobicContact CB-CE 4.37Å; I104-M151 HydrophobicContact CD1-CE 3.53Å; I104-M151 HydrophobicContact CG2-CE 3.86Å; I106-M151 HydrophobicContact CD1-SD 3.83Å; I111-M151 HydrophobicContact CD1-CG 4.07Å; I111-M151 HydrophobicContact CD1-SD 4.02Å; Q114-M151 HydrophobicContact CG-CE 4.29Å; I136-M151 HydrophobicContact CB-CE 4.44Å; I136-M151 HydrophobicContact CB-SD 4.4Å; I136-M151 HydrophobicContact CD1-CE 3.71Å; I136-M151 HydrophobicContact CD1-SD 3.8Å; I136-M151 HydrophobicContact CG1-CE 3.76Å; I136-M151 HydrophobicContact CG1-SD 4.16Å; I136-M151 HydrophobicContact CG2-CB 4.09Å; I136-M151 HydrophobicContact CG2-CE 3.85Å; I136-M151 HydrophobicContact CG2-CG 4.32Å; I136-M151 HydrophobicContact CG2-SD 3.37Å; I136-M151 WeakPolarHBondContact CG2-SD 3.39Å; M151-N154 PolarHBondContact O-N 3.19Å; M151-I155 HydrophobicContact CG-CD1 3.8Å; M151-I155 HydrophobicContact CG-CG1 4.14Å; M151-I155 WeakPolarHBondContact O-CG1 3.49Å; M151-I155 PolarHBondContact O-N 3.4Å; M151-I155 HydrophobicContact SD-CD1 4.33Å
152	F	85.7	Confident	81.1	Confident	32 Å²	32	63.7 Å²	63.7	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-49.5	-174.6	-174.2	-109	0	0	0	113.3	M138 P150 N154 I155 L156 P164 F166	M138-F152 HydrophobicContact CE-CD2 4.05Å; P150-F152 PolarHBondContact O-N 2.72Å; F152-N154 VanDerWaalsContact C-N 3.3Å; F152-N154 PolarHBondContact O-N 3.12Å; F152-I155 PolarHBondContact O-N 2.98Å; F152-L156 HydrophobicContact CD1-CD1 4.44Å; F152-L156 HydrophobicContact CE1-CD1 4.12Å; F152-L156 HydrophobicContact CZ-CD1 4.45Å; F152-L156 WeakPolarHBondContact O-CG 3.4Å; F152-L156 PolarHBondContact O-N 3.22Å; F152-P164 HydrophobicContact CE1-CB 4.48Å; F152-P164 VanDerWaalsContact CZ-C 3.49Å; F152-P164 HydrophobicContact CZ-CB 4.37Å; F152-F166 HydrophobicContact CD2-CD1 4.02Å; F152-F166 HydrophobicContact CE2-CB 4.45Å; F152-F166 AromaticContact CE2-CD1 3.69Å; F152-F166 HydrophobicContact CE2-CD1 3.69Å; F152-F166 HydrophobicContact CZ-CD1 4.04Å
153	P	86.3	Confident	81.2	Confident	29 Å²	29	58 Å²	58	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-56.2	-37.5	168.5	-26.3	32.8	0	0	0	114.7	I149 P150 L156 A157	I149-P153 HydrophobicContact CG2-CB 3.94Å; P150-P153 HydrophobicContact CB-CG 4.43Å; P150-P153 WeakPolarHBondContact O-CD 3.49Å; P153-L156 PolarHBondContact O-N 2.74Å; P153-A157 WeakPolarHBondContact O-CB 3.11Å; P153-A157 PolarHBondContact O-N 3.46Å
154	N	89	Confident	81.3	Confident	17 Å²	17	56.9 Å²	56.9	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-71.7	-34.3	-179.4	-164	23.5	0	0	0	112.6	I111 R112 Q114 I149 P150 M151 F152 L156 A157 N158	I111-N154 HydrophobicContact CG2-CB 4.33Å; I111-N154 WeakPolarHBondContact CG2-ND2 3.13Å; R112-N154 PolarHBondContact O-ND2 3.32Å; Q114-N154 PolarHBondContact OE1-ND2 3.19Å; I149-N154 HydrophobicContact CG2-CB 4.03Å; P150-N154 PolarHBondContact O-N 2.89Å; M151-N154 PolarHBondContact O-N 3.19Å; F152-N154 VanDerWaalsContact C-N 3.3Å; F152-N154 PolarHBondContact O-N 3.12Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 3.14Å; N154-A157 PolarHBondContact O-N 2.82Å; N154-N158 PolarHBondContact O-N 3.07Å; N154-N158 PolarHBondContact O-ND2 3.24Å; N154-N158 PolarHBondContact OD1-ND2 3.29Å
155	I	86.1	Confident	81.5	Confident	14 Å²	14	61.8 Å²	61.8	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-56.8	-48.6	170.9	-70.9	165.1	0	0	0	109.8	I111 M151 F152 A157 N158 V160 M162	I111-I155 HydrophobicContact CD1-CD1 3.85Å; I111-I155 HydrophobicContact CD1-CG1 3.46Å; I111-I155 VanDerWaalsContact CD1-CG1 3.46Å; I111-I155 HydrophobicContact CG1-CG1 3.76Å; M151-I155 HydrophobicContact CG-CD1 3.8Å; M151-I155 HydrophobicContact CG-CG1 4.14Å; M151-I155 WeakPolarHBondContact O-CG1 3.49Å; M151-I155 PolarHBondContact O-N 3.4Å; M151-I155 HydrophobicContact SD-CD1 4.33Å; F152-I155 PolarHBondContact O-N 2.98Å; I155-A157 VanDerWaalsContact C-N 3.31Å; I155-A157 PolarHBondContact O-N 2.01Å; I155-N158 PolarHBondContact O-N 2.9Å; I155-V160 HydrophobicContact CG2-CG2 4.45Å; I155-M162 HydrophobicContact CG2-SD 4.38Å
156	L	83.1	Confident	81.8	Confident	62 Å²	62	56.7 Å²	56.7	33%	0.325	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-36.7	178.8	-60.3	173.8	0	0	0	111.9	F152 P153 N154 P164	F152-L156 HydrophobicContact CD1-CD1 4.44Å; F152-L156 HydrophobicContact CE1-CD1 4.12Å; F152-L156 HydrophobicContact CZ-CD1 4.45Å; F152-L156 WeakPolarHBondContact O-CG 3.4Å; F152-L156 PolarHBondContact O-N 3.22Å; P153-L156 PolarHBondContact O-N 2.74Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 3.14Å; L156-P164 HydrophobicContact CD1-CB 3.83Å; L156-P164 HydrophobicContact CD2-CB 4.23Å
157	A	82.4	Confident	82.1	Confident	77 Å²	77	58.2 Å²	58.2	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-72.6	-28.3	178.2	0	0	0	0	0	113.9	P153 N154 I155 G159	P153-A157 WeakPolarHBondContact O-CB 3.11Å; P153-A157 PolarHBondContact O-N 3.46Å; N154-A157 PolarHBondContact O-N 2.82Å; I155-A157 VanDerWaalsContact C-N 3.31Å; I155-A157 PolarHBondContact O-N 2.01Å; A157-G159 PolarHBondContact O-N 3.34Å
158	N	77	Confident	82.3	Confident	52 Å²	52	59.3 Å²	59.3	28%	0.278	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	7.6	177.3	-87	-96.1	0	0	0	113.5	R112 N154 I155	R112-N158 PolarHBondContact N-OD1 3.05Å; N154-N158 PolarHBondContact O-N 3.07Å; N154-N158 PolarHBondContact O-ND2 3.24Å; N154-N158 PolarHBondContact OD1-ND2 3.29Å; I155-N158 PolarHBondContact O-N 2.9Å
159	G	63.8	Low	82.4	Confident	60 Å²	60	67.5 Å²	67.5	62%	0.619	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	21.2	168.5	0	0	0	0	0	114.1	A157 N161	A157-G159 PolarHBondContact O-N 3.34Å; G159-N161 PolarHBondContact O-N 3.43Å
160	V	66.3	Low	82.4	Confident	47 Å²	47	67.3 Å²	67.3	29%	0.285	38%	0.376	S	S	.	.			trans	-73.5	127.2	171.9	-157.3	0	0	0	0	108.1	L109 I155 M162	L109-V160 HydrophobicContact CD2-CB 4.45Å; L109-V160 HydrophobicContact CD2-CG1 4Å; L109-V160 HydrophobicContact CD2-CG2 3.7Å; I155-V160 HydrophobicContact CG2-CG2 4.45Å; V160-M162 HydrophobicContact CB-CB 4.41Å; V160-M162 HydrophobicContact CB-CG 4.17Å; V160-M162 HydrophobicContact CB-SD 3.96Å; V160-M162 HydrophobicContact CG1-CB 4.31Å; V160-M162 HydrophobicContact CG1-CE 3.62Å; V160-M162 HydrophobicContact CG1-CG 3.58Å; V160-M162 HydrophobicContact CG1-SD 3.45Å; V160-M162 WeakPolarHBondContact CG1-SD 3.49Å; V160-M162 PolarHBondContact O-N 3.17Å
161	N	70.2	Confident	82.3	Confident	133 Å²	133	70 Å²	70	71%	0.711	39%	0.39	S	S	*	.			trans	-70.7	52.8	172.9	-76.3	-24.9	0	0	0	111	T13 G159	T13-N161 WeakPolarHBondContact CB-O 3.44Å; T13-N161 HydrophobicContact CG2-CB 4.31Å; T13-N161 VanDerWaalsContact CG2-O 3.28Å; T13-N161 WeakPolarHBondContact CG2-O 3.02Å; T13-N161 PolarHBondContact OG1-O 2.99Å; G159-N161 PolarHBondContact O-N 3.43Å
162	M	72.3	Confident	82.1	Confident	39 Å²	39	79.4 Å²	79.4	19%	0.192	43%	0.426	C	S	.	.			trans	-101.9	141	178.6	-82.6	168.9	179.3	0	0	109.5	T13 T15 L109 I155 V160	T13-M162 WeakPolarHBondContact O-CE 3.45Å; T13-M162 WeakPolarHBondContact O-CG 3.35Å; T15-M162 WeakPolarHBondContact OG1-CE 3.48Å; L109-M162 HydrophobicContact CD1-CE 4.1Å; L109-M162 HydrophobicContact CD1-SD 4.44Å; L109-M162 HydrophobicContact CD2-CE 3.7Å; L109-M162 HydrophobicContact CD2-SD 4.13Å; L109-M162 HydrophobicContact CG-CE 4.19Å; I155-M162 HydrophobicContact CG2-SD 4.38Å; V160-M162 HydrophobicContact CB-CB 4.41Å; V160-M162 HydrophobicContact CB-CG 4.17Å; V160-M162 HydrophobicContact CB-SD 3.96Å; V160-M162 HydrophobicContact CG1-CB 4.31Å; V160-M162 HydrophobicContact CG1-CE 3.62Å; V160-M162 HydrophobicContact CG1-CG 3.58Å; V160-M162 HydrophobicContact CG1-SD 3.45Å; V160-M162 WeakPolarHBondContact CG1-SD 3.49Å; V160-M162 PolarHBondContact O-N 3.17Å
163	D	79.8	Confident	81.6	Confident	87 Å²	87	85.2 Å²	85.2	47%	0.465	45%	0.447	S	S	.	.			trans	-62.6	149.1	162.3	-68.8	-50.3	0	0	0	109.4	W8 I165	W8-D163 WeakPolarHBondContact CZ3-OD2 3.19Å; D163-I165 HydrophobicContact CB-CD1 4.28Å; D163-I165 HydrophobicContact CB-CG1 4.32Å; D163-I165 PolarHBondContact O-N 2.99Å
164	P	82	Confident	81	Confident	86 Å²	86	89.7 Å²	89.7	56%	0.558	47%	0.473	S	S	*	.	S	Bend	trans	-74.7	56.2	177	34.3	-37.6	0	0	0	110.9	F152 L156	F152-P164 HydrophobicContact CE1-CB 4.48Å; F152-P164 VanDerWaalsContact CZ-C 3.49Å; F152-P164 HydrophobicContact CZ-CB 4.37Å; L156-P164 HydrophobicContact CD1-CB 3.83Å; L156-P164 HydrophobicContact CD2-CB 4.23Å
165	I	85.7	Confident	80.1	Confident	113 Å²	113	97.1 Å²	97.1	58%	0.579	50%	0.501	S	S	*	.			trans	-136.7	132.8	-177.6	-58.1	173.8	0	0	0	108	W8 D163	W8-I165 HydrophobicContact CH2-CD1 4.16Å; D163-I165 HydrophobicContact CB-CD1 4.28Å; D163-I165 HydrophobicContact CB-CG1 4.32Å; D163-I165 PolarHBondContact O-N 2.99Å
166	F	85.5	Confident	79	Confident	80 Å²	80	102.2 Å²	102.2	35%	0.351	53%	0.528	S	S	.	.			trans	-122	159.8	163.5	65.9	-92.5	0	0	0	108.8	T46 M138 F152 F168	T46-F166 HydrophobicContact CG2-CE2 3.92Å; T46-F166 HydrophobicContact CG2-CZ 4.07Å; M138-F166 HydrophobicContact CB-CE1 4.32Å; M138-F166 HydrophobicContact CB-CE2 4.47Å; M138-F166 HydrophobicContact CB-CZ 4Å; M138-F166 HydrophobicContact CE-CB 4.28Å; M138-F166 HydrophobicContact CE-CD1 3.69Å; M138-F166 HydrophobicContact CE-CD2 4.19Å; M138-F166 HydrophobicContact CE-CE1 4.01Å; M138-F166 HydrophobicContact CE-CG 3.78Å; M138-F166 HydrophobicContact CE-CZ 4.41Å; F152-F166 HydrophobicContact CD2-CD1 4.02Å; F152-F166 HydrophobicContact CE2-CB 4.45Å; F152-F166 AromaticContact CE2-CD1 3.69Å; F152-F166 HydrophobicContact CE2-CD1 3.69Å; F152-F166 HydrophobicContact CZ-CD1 4.04Å; F166-F168 HydrophobicContact CD2-CD2 4.34Å; F166-F168 AromaticContact CD2-CE2 3.75Å; F166-F168 HydrophobicContact CD2-CE2 3.75Å; F166-F168 AromaticContact CD2-CZ 4Å; F166-F168 HydrophobicContact CD2-CZ 4Å; F166-F168 HydrophobicContact CE2-CD2 4.21Å; F166-F168 AromaticContact CE2-CE2 3.47Å; F166-F168 HydrophobicContact CE2-CE2 3.47Å; F166-F168 VanDerWaalsContact CE2-CE2 3.47Å; F166-F168 HydrophobicContact CE2-CZ 4Å
167	S	89.1	Confident	78	Confident	109 Å²	109	105.4 Å²	105.4	76%	0.762	55%	0.55	S	S	*	.			trans	-145.8	144.4	178	60.2	0	0	0	0	110.3
168	F	89.1	Confident	77.3	Confident	76 Å²	76	115.3 Å²	115.3	33%	0.333	57%	0.572	S	S	.	*			trans	-107	135.2	171.8	-60.2	-69	0	0	0	110.6	L19 F44 T46 F166 L170	L19-F168 HydrophobicContact CD1-CD1 3.61Å; L19-F168 HydrophobicContact CD1-CE1 4.24Å; F44-F168 HydrophobicContact CB-CE1 3.56Å; F44-F168 HydrophobicContact CB-CZ 3.5Å; F44-F168 HydrophobicContact CD2-CE1 4.42Å; F44-F168 HydrophobicContact CG-CE1 4.08Å; F44-F168 HydrophobicContact CG-CZ 4.39Å; T46-F168 HydrophobicContact CG2-CD2 4.49Å; T46-F168 HydrophobicContact CG2-CE2 3.65Å; T46-F168 HydrophobicContact CG2-CZ 4.49Å; F166-F168 HydrophobicContact CD2-CD2 4.34Å; F166-F168 AromaticContact CD2-CE2 3.75Å; F166-F168 HydrophobicContact CD2-CE2 3.75Å; F166-F168 AromaticContact CD2-CZ 4Å; F166-F168 HydrophobicContact CD2-CZ 4Å; F166-F168 HydrophobicContact CE2-CD2 4.21Å; F166-F168 AromaticContact CE2-CE2 3.47Å; F166-F168 HydrophobicContact CE2-CE2 3.47Å; F166-F168 VanDerWaalsContact CE2-CE2 3.47Å; F166-F168 HydrophobicContact CE2-CZ 4Å; F168-L170 HydrophobicContact CB-CD2 3.88Å; F168-L170 HydrophobicContact CB-CG 4.18Å
169	Y	90	Very high	77.3	Confident	204 Å²	204	118.5 Å²	118.5	80%	0.8	59%	0.587	S	S	*	*			trans	-101.4	111.4	163.5	177.9	-96.7	0	0	0	108.4	N171	Y169-N171 HydrophobicContact CE1-CB 4.42Å
170	L	88.4	Confident	78	Confident	91 Å²	91	121.5 Å²	121.5	48%	0.476	59%	0.586	S	S	.	*			trans	-108.2	114.6	-177.9	-52.2	-177.2	0	0	0	109.3	L19 Y27 F168	L19-L170 HydrophobicContact CD1-CD2 4.32Å; Y27-L170 HydrophobicContact CD1-CB 4.36Å; Y27-L170 HydrophobicContact CD1-CD2 3.65Å; Y27-L170 HydrophobicContact CD2-CD2 4.06Å; Y27-L170 HydrophobicContact CE1-CB 3.92Å; Y27-L170 HydrophobicContact CE1-CD2 4.1Å; Y27-L170 HydrophobicContact CE2-CD1 4.49Å; Y27-L170 HydrophobicContact CE2-CD2 4.49Å; Y27-L170 HydrophobicContact CG-CD2 3.63Å; F168-L170 HydrophobicContact CB-CD2 3.88Å; F168-L170 HydrophobicContact CB-CG 4.18Å
171	N	86.5	Confident	78.7	Confident	63 Å²	63	125.7 Å²	125.7	34%	0.337	60%	0.602	S	S	.	*			trans	-83.5	158.2	170.1	71.5	-19.2	0	0	0	110.3	N21 Y27 Y169	N21-N171 WeakPolarHBondContact CB-OD1 3.38Å; N21-N171 PolarHBondContact ND2-O 3.18Å; N21-N171 PolarHBondContact ND2-OD1 2.85Å; Y27-N171 VanDerWaalsContact CE1-O 3.29Å; Y27-N171 WeakPolarHBondContact CE1-O 3.46Å; Y27-N171 PolarHBondContact OH-O 3.07Å; Y169-N171 HydrophobicContact CE1-CB 4.42Å
172	R	85.3	Confident	79.2	Confident	197 Å²	197	125.2 Å²	125.2	74%	0.743	60%	0.596	S	S	*	*			trans	-129.9	134.1	172.7	-69.5	-177.5	65.3	-177.7	0.5	111	N24	N24-R172 VanDerWaalsContact OD1-CA 3.28Å; N24-R172 WeakPolarHBondContact OD1-CA 3.2Å
173	W	76.2	Confident	79.6	Confident	153 Å²	153	130.6 Å²	130.6	58%	0.58	62%	0.621	S	S	*	*			trans	-79.2	122.5	164.5	-57.8	112.9	0	0	0	109.2	N24	N24-W173 PolarHBondContact ND2-O 3.34Å; N24-W173 PolarHBondContact OD1-N 3.31Å
174	V	74	Confident	79.6	Confident	123 Å²	123	133.5 Å²	133.5	75%	0.745	63%	0.631	S	S	*	*			trans	-96.4	111.7	168.9	-177.5	0	0	0	0	106.8	I176	V174-I176 PolarHBondContact O-N 3.11Å
175	Y	70.4	Confident	79.4	Confident	174 Å²	174	136.9 Å²	136.9	68%	0.682	64%	0.637	S	S	*	*			trans	-71.7	108.9	167.1	-64	-76.3	0	0	0	107.5	T177	Y175-T177 PolarHBondContact O-N 3.09Å
176	I	62.5	Low	78.9	Confident	121 Å²	121	138.8 Å²	138.8	62%	0.621	64%	0.641	S	S	*	*			trans	-77	104	166.5	-59.1	174	0	0	0	105.8	V174	V174-I176 PolarHBondContact O-N 3.11Å
177	T	62.4	Low	78.4	Confident	128 Å²	128	143.7 Å²	143.7	79%	0.785	67%	0.665	S	S	*	*			trans	-78.7	116.7	164.1	52.6	0	0	0	0	107.4	Y175	Y175-T177 PolarHBondContact O-N 3.09Å
178	Y	67.1	Low	77.4	Confident	285 Å²	285	146.8 Å²	146.8	100%	1.118	66%	0.656	S	S	*	*			trans	-72.1	0	171.4	-67.9	-86.4	0	0	0	111.3

Retrieved 178 of 178 residues in 52.6 ms (Link to these results)

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