A0A077Z0K5_TRITR Loading...

Lectin C domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0K5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 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	58.8	Low	55.1	Low	217 Å²	217	122.6 Å²	122.6	100%	1.069	67%	0.667	S	S	*	*				0	-24.5	0	-66.6	176.7	69.4	0	0	113.8
2	V	60.8	Low	55.1	Low	116 Å²	116	120 Å²	120	70%	0.703	66%	0.664	S	S	*	*	H	α-helix	trans	-75.2	-31.3	-177.2	-177.1	0	0	0	0	114.2	I4 S5	V2-I4 PolarHBondContact O-N 3.25Å; V2-S5 PolarHBondContact O-N 2.81Å
3	V	58.3	Low	55	Low	108 Å²	108	117.2 Å²	117.2	66%	0.655	67%	0.666	S	S	*	*	H	α-helix	trans	-72.2	-31	-172.8	-169.8	0	0	0	0	113.1	S5 L6	V3-S5 VanDerWaalsContact C-N 3.35Å; V3-L6 PolarHBondContact O-N 3Å
4	I	56.4	Low	54.9	Low	122 Å²	122	118.9 Å²	118.9	63%	0.626	67%	0.671	S	S	*	*	H	α-helix	trans	-70.9	-33.8	-179.4	-60.4	174.5	0	0	0	110.8	V2 L6 L7 L8	V2-I4 PolarHBondContact O-N 3.25Å; I4-L6 VanDerWaalsContact C-N 3.32Å; I4-L6 PolarHBondContact O-N 2.87Å; I4-L7 PolarHBondContact O-N 3.06Å; I4-L8 PolarHBondContact O-N 3.02Å
5	S	56.2	Low	54.8	Low	66 Å²	66	122.5 Å²	122.5	46%	0.462	68%	0.677	S	S	.	*	H	α-helix	trans	-65.8	-34.3	176.9	-53	0	0	0	0	112.5	V2 V3 L7 L8 F9	V2-S5 PolarHBondContact O-N 2.81Å; V3-S5 VanDerWaalsContact C-N 3.35Å; S5-L7 VanDerWaalsContact C-N 3.35Å; S5-L7 PolarHBondContact O-N 3.1Å; S5-L8 PolarHBondContact O-N 2.96Å; S5-F9 WeakPolarHBondContact O-CD2 3.44Å; S5-F9 PolarHBondContact O-N 3.04Å
6	L	52.3	Low	55.1	Low	122 Å²	122	124.3 Å²	124.3	64%	0.639	68%	0.679	S	S	*	*	H	α-helix	trans	-68	-34.4	178	-71.1	171.3	0	0	0	112.4	V3 I4 L8 F9 A10	V3-L6 PolarHBondContact O-N 3Å; I4-L6 VanDerWaalsContact C-N 3.32Å; I4-L6 PolarHBondContact O-N 2.87Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-F9 PolarHBondContact O-N 3.14Å; L6-A10 PolarHBondContact O-N 3.12Å
7	L	53.4	Low	55.5	Low	121 Å²	121	127.2 Å²	127.2	63%	0.634	69%	0.692	S	S	*	*	H	α-helix	trans	-70.3	-31.5	177.2	-73.9	166.7	0	0	0	112.5	I4 S5	I4-L7 PolarHBondContact O-N 3.06Å; S5-L7 VanDerWaalsContact C-N 3.35Å; S5-L7 PolarHBondContact O-N 3.1Å
8	L	54.1	Low	55.8	Low	119 Å²	119	123.6 Å²	123.6	62%	0.623	69%	0.69	S	S	*	*	H	α-helix	trans	-75	-32.3	175.9	-71.8	172.7	0	0	0	113	I4 S5 L6 A10	I4-L8 PolarHBondContact O-N 3.02Å; S5-L8 PolarHBondContact O-N 2.96Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L8-A10 VanDerWaalsContact C-N 3.31Å; L8-A10 PolarHBondContact O-N 3.26Å
9	F	53.1	Low	56.1	Low	169 Å²	169	123.7 Å²	123.7	74%	0.741	69%	0.694	S	S	*	*	H	α-helix	trans	-71.1	-24	174.8	-90	-78.1	0	0	0	113.5	S5 L6 S12	S5-F9 WeakPolarHBondContact O-CD2 3.44Å; S5-F9 PolarHBondContact O-N 3.04Å; L6-F9 PolarHBondContact O-N 3.14Å; F9-S12 PolarHBondContact O-OG 2.93Å
10	A	52.2	Low	56.7	Low	64 Å²	64	122.8 Å²	122.8	53%	0.529	70%	0.696	S	S	.	*	H	α-helix	trans	-76	-28.5	177.7	0	0	0	0	0	113.1	L6 L8	L6-A10 PolarHBondContact O-N 3.12Å; L8-A10 VanDerWaalsContact C-N 3.31Å; L8-A10 PolarHBondContact O-N 3.26Å
11	L	51	Low	57.7	Low	125 Å²	125	124.2 Å²	124.2	65%	0.654	70%	0.697	S	S	*	*	H	α-helix	trans	-78.9	-19.4	-176.1	-79.1	162	0	0	0	113.9	A13	L11-A13 VanDerWaalsContact C-N 3.34Å
12	S	54.1	Low	58.7	Low	91 Å²	91	119.9 Å²	119.9	64%	0.636	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-8.7	177.2	46.8	0	0	0	0	114.3	F9	F9-S12 PolarHBondContact O-OG 2.93Å
13	A	54.5	Low	59.9	Low	83 Å²	83	117.2 Å²	117.2	69%	0.686	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-5.3	178.6	0	0	0	0	0	114.2	L11 F15	L11-A13 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 3.32Å
14	L	52.9	Low	61.5	Low	141 Å²	141	117.6 Å²	117.6	74%	0.738	67%	0.666	S	S	*	*			trans	-95	58.8	-179.9	-69.3	167.6	0	0	0	111.6
15	F	53.5	Low	63.4	Low	173 Å²	173	115 Å²	115	76%	0.759	65%	0.649	S	S	*	*			trans	-161.6	114.9	171.4	-133.4	-107.8	0	0	0	107	A13	A13-F15 PolarHBondContact O-N 3.32Å
16	Q	60.1	Low	65.3	Low	151 Å²	151	116 Å²	116	71%	0.706	65%	0.647	S	S	*	*			cis	-143.4	135.2	3.7	-59.9	177.8	-56.8	0	0	106	G18	Q16-G18 PolarHBondContact O-N 3.38Å
17	L	61.2	Low	67.5	Low	174 Å²	174	111.5 Å²	111.5	91%	0.911	63%	0.625	S	S	*	*			trans	-70.1	80.4	157.4	-70.3	167.4	0	0	0	106.2	T19	L17-T19 VanDerWaalsContact C-N 3.3Å; L17-T19 PolarHBondContact O-N 3.37Å
18	G	61.2	Low	69.5	Low	63 Å²	63	113.5 Å²	113.5	65%	0.649	63%	0.629	S	S	*	*			trans	-60.9	102.9	162.7	0	0	0	0	0	106	Q16 S20	Q16-G18 PolarHBondContact O-N 3.38Å; G18-S20 PolarHBondContact O-N 3.43Å
19	T	62	Low	71.5	Confident	125 Å²	125	110.7 Å²	110.7	77%	0.767	62%	0.615	S	S	*	*			trans	-66.8	83.1	166.8	51	0	0	0	0	106.1	L17 E21	L17-T19 VanDerWaalsContact C-N 3.3Å; L17-T19 PolarHBondContact O-N 3.37Å; T19-E21 VanDerWaalsContact C-N 3.28Å; T19-E21 PolarHBondContact O-N 3.5Å
20	S	68.5	Low	73.6	Confident	106 Å²	106	108.1 Å²	108.1	74%	0.741	62%	0.615	S	S	*	*			trans	-65.5	99.1	167	-176.2	0	0	0	0	105.4	G18 T22	G18-S20 PolarHBondContact O-N 3.43Å; S20-T22 PolarHBondContact O-N 2.77Å
21	E	76.7	Confident	75.7	Confident	153 Å²	153	107.9 Å²	107.9	72%	0.715	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-54.8	117.6	171.9	-70.8	-176.8	178	0	0	107.3	T19 P23	T19-E21 VanDerWaalsContact C-N 3.28Å; T19-E21 PolarHBondContact O-N 3.5Å; E21-P23 WeakPolarHBondContact O-CD 3.38Å
22	T	79.5	Confident	77.9	Confident	125 Å²	125	102.9 Å²	102.9	77%	0.767	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-69	123.5	176.7	51	0	0	0	0	107.8	S20 L24	S20-T22 PolarHBondContact O-N 2.77Å; T22-L24 PolarHBondContact O-N 3.06Å
23	P	86.4	Confident	80	Confident	60 Å²	60	100.8 Å²	100.8	39%	0.39	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-59.1	133.6	-179.2	21.9	-31.7	0	0	0	110.4	E21 Y25 E157	E21-P23 WeakPolarHBondContact O-CD 3.38Å; P23-Y25 HydrophobicContact CB-CE2 4Å; P23-Y25 HydrophobicContact CG-CE2 3.86Å; P23-Y25 WeakPolarHBondContact O-CD2 3.2Å; P23-Y25 WeakPolarHBondContact O-CE2 3.21Å; P23-E157 HydrophobicContact CB-CG 3.88Å; P23-E157 VanDerWaalsContact CB-OE1 3.32Å; P23-E157 WeakPolarHBondContact CB-OE1 3.06Å
24	L	92.2	Very high	82	Confident	117 Å²	117	100.4 Å²	100.4	61%	0.613	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.2	137.7	177.5	-173.9	65.7	0	0	0	109.4	T22 L158	T22-L24 PolarHBondContact O-N 3.06Å; L24-L158 HydrophobicContact CB-CB 4.29Å; L24-L158 HydrophobicContact CD2-CD1 3.77Å; L24-L158 HydrophobicContact CG-CD1 3.94Å; L24-L158 PolarHBondContact O-N 2.78Å
25	Y	96.1	Very high	84.1	Confident	67 Å²	67	96.8 Å²	96.8	26%	0.263	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.2	-179.5	-65.2	-83	0	0	0	112.1	P23 L34 S155 L156 E157	P23-Y25 HydrophobicContact CB-CE2 4Å; P23-Y25 HydrophobicContact CG-CE2 3.86Å; P23-Y25 WeakPolarHBondContact O-CD2 3.2Å; P23-Y25 WeakPolarHBondContact O-CE2 3.21Å; Y25-L34 WeakPolarHBondContact O-CD2 3.39Å; Y25-S155 WeakPolarHBondContact CB-OG 3.32Å; Y25-S155 WeakPolarHBondContact CD1-OG 3.41Å; Y25-L156 CarbonylContact C-O 3.6Å; Y25-L156 WeakPolarHBondContact CA-O 3.43Å; Y25-E157 HydrophobicContact CD1-CB 4.02Å; Y25-E157 HydrophobicContact CD1-CG 4.41Å; Y25-E157 HydrophobicContact CE1-CB 3.74Å; Y25-E157 HydrophobicContact CE1-CG 3.96Å
26	M	96.5	Very high	85.9	Confident	86 Å²	86	91 Å²	91	42%	0.424	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.8	169.7	67.3	160.5	61.7	0	0	113.7	S155 L156 L158	M26-S155 WeakPolarHBondContact O-CB 3.41Å; M26-L156 HydrophobicContact CG-CB 4.32Å; M26-L156 PolarHBondContact N-O 2.92Å; M26-L156 PolarHBondContact O-N 2.87Å; M26-L158 HydrophobicContact CB-CD1 4.21Å; M26-L158 HydrophobicContact CE-CD1 3.38Å; M26-L158 HydrophobicContact CE-CD2 3.56Å; M26-L158 HydrophobicContact CE-CG 4.03Å; M26-L158 HydrophobicContact CG-CD1 4.05Å; M26-L158 HydrophobicContact CG-CD2 3.75Å; M26-L158 HydrophobicContact CG-CG 4.03Å; M26-L158 HydrophobicContact SD-CD1 4.44Å; M26-L158 HydrophobicContact SD-CD2 3.88Å
27	C	98.1	Very high	87.6	Confident	28 Å²	28	86.8 Å²	86.8	19%	0.189	51%	0.512	C	S	.	.			trans	-95.7	116.5	167.6	-58.7	0	0	0	0	110.3	D29 W32 C39	C27-D29 VanDerWaalsContact C-N 3.31Å; C27-D29 PolarHBondContact O-N 2.78Å; C27-W32 HydrophobicContact CB-CB 3.89Å; C27-C39 WeakPolarHBondContact CA-SG 3.24Å; C27-C39 HydrophobicContact CB-CB 3.93Å; C27-C39 WeakPolarHBondContact CB-SG 2.96Å; C27-C39 WeakPolarHBondContact SG-CA 3.08Å; C27-C39 WeakPolarHBondContact SG-CB 2.98Å; C27-C39 CovalentContact SG-SG 2.03Å; C27-C39 PolarHBondContact SG-SG 3.38Å
28	K	95.7	Very high	89.3	Confident	163 Å²	163	82.1 Å²	82.1	71%	0.709	48%	0.482	S	S	*	.			trans	-62.2	-37.8	-179.1	-173.7	179.9	178.7	178.1	0	113.1	L156	K28-L156 HydrophobicContact CB-CD1 3.83Å; K28-L156 HydrophobicContact CD-CD1 4.16Å; K28-L156 HydrophobicContact CG-CD1 4.29Å
29	D	97.1	Very high	91.1	Very high	61 Å²	61	79.1 Å²	79.1	33%	0.326	45%	0.452	S	S	.	.	S	Bend	trans	-92.2	133.2	-168.8	-70.8	-5.6	0	0	0	111.7	C27 W32 K153	C27-D29 VanDerWaalsContact C-N 3.31Å; C27-D29 PolarHBondContact O-N 2.78Å; D29-W32 HydrophobicContact CB-CG 4.14Å; D29-W32 WeakPolarHBondContact O-CB 3.44Å; D29-W32 VanDerWaalsContact O-CD1 3.29Å; D29-W32 PolarHBondContact O-N 2.84Å; D29-K153 IonicContact OD2-NZ 2.6Å; D29-K153 PolarHBondContact OD2-NZ 2.87Å
30	P	95.5	Very high	92.8	Very high	115 Å²	115	73.3 Å²	73.3	75%	0.747	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	139.7	176.8	-25.9	34.4	0	0	0	113.4	W32 R41	P30-W32 VanDerWaalsContact C-N 3.27Å; P30-W32 PolarHBondContact O-N 3.28Å; P30-R41 PolarHBondContact O-NH1 2.97Å
31	G	96.2	Very high	94.3	Very high	58 Å²	58	72.2 Å²	72.2	60%	0.598	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	3.5	-179.8	0	0	0	0	0	114.7	R41	G31-R41 WeakPolarHBondContact O-CD 3.45Å; G31-R41 WeakPolarHBondContact O-CG 3.47Å
32	W	98.4	Very high	95.3	Very high	21 Å²	21	66 Å²	66	8%	0.08	37%	0.367	C	S	.	.			trans	-92.9	135.1	165.7	-65.3	75.9	0	0	0	109.3	C27 D29 P30 C39 Y40 R41 K59 S61 C151 K153	C27-W32 HydrophobicContact CB-CB 3.89Å; D29-W32 HydrophobicContact CB-CG 4.14Å; D29-W32 WeakPolarHBondContact O-CB 3.44Å; D29-W32 VanDerWaalsContact O-CD1 3.29Å; D29-W32 PolarHBondContact O-N 2.84Å; P30-W32 VanDerWaalsContact C-N 3.27Å; P30-W32 PolarHBondContact O-N 3.28Å; W32-C39 HydrophobicContact CB-CB 4.42Å; W32-C39 HydrophobicContact CE3-CB 4.13Å; W32-Y40 CarbonylContact C-O 3.54Å; W32-Y40 VanDerWaalsContact CA-O 3.28Å; W32-Y40 WeakPolarHBondContact CA-O 3.39Å; W32-R41 HydrophobicContact CD2-CB 3.59Å; W32-R41 HydrophobicContact CE3-CB 3.63Å; W32-R41 HydrophobicContact CG-CB 4.06Å; W32-R41 HydrophobicContact CH2-CB 4.23Å; W32-R41 HydrophobicContact CZ2-CB 4.23Å; W32-R41 HydrophobicContact CZ3-CB 3.95Å; W32-K59 HydrophobicContact CZ2-CB 4.21Å; W32-S61 WeakPolarHBondContact CH2-OG 3.39Å; W32-C151 HydrophobicContact CH2-CB 3.67Å; W32-C151 HydrophobicContact CZ3-CB 4.07Å; W32-K153 HydrophobicContact CE3-CD 4.42Å; W32-K153 HydrophobicContact CE3-CG 4.09Å; W32-K153 HydrophobicContact CH2-CD 4.17Å; W32-K153 HydrophobicContact CH2-CG 4.27Å; W32-K153 HydrophobicContact CZ2-CD 4.42Å; W32-K153 HydrophobicContact CZ3-CD 4.16Å; W32-K153 HydrophobicContact CZ3-CG 3.81Å
33	F	97.9	Very high	96.2	Very high	47 Å²	47	60.9 Å²	60.9	21%	0.206	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143	177.4	65.9	-89.1	0	0	0	110.5	C39 Y40 V75 Q78	F33-C39 WeakPolarHBondContact O-CA 3.44Å; F33-Y40 WeakPolarHBondContact CD1-O 3.48Å; F33-Y40 HydrophobicContact CE2-CD2 4.17Å; F33-Y40 HydrophobicContact CE2-CG 4.24Å; F33-Y40 HydrophobicContact CZ-CG 4.27Å; F33-Y40 PolarHBondContact N-O 3.46Å; F33-Y40 PolarHBondContact O-N 3.46Å; F33-V75 HydrophobicContact CZ-CG1 4.09Å; F33-V75 WeakPolarHBondContact CZ-O 3.42Å; F33-Q78 HydrophobicContact CD1-CG 4.11Å; F33-Q78 HydrophobicContact CD2-CG 4.13Å; F33-Q78 HydrophobicContact CE1-CB 4.09Å; F33-Q78 HydrophobicContact CE1-CG 3.78Å; F33-Q78 HydrophobicContact CE2-CG 3.8Å; F33-Q78 HydrophobicContact CG-CG 4.27Å; F33-Q78 HydrophobicContact CZ-CB 4.1Å; F33-Q78 HydrophobicContact CZ-CG 3.6Å
34	L	97.3	Very high	96.7	Very high	74 Å²	74	64.1 Å²	64.1	39%	0.387	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.5	-179.7	-175.6	74.8	0	0	0	110	Y25 G36 S155	Y25-L34 WeakPolarHBondContact O-CD2 3.39Å; L34-G36 WeakPolarHBondContact CD1-O 3.47Å; L34-S155 VanDerWaalsContact CD1-CB 3.49Å
35	H	95.9	Very high	96.9	Very high	65 Å²	65	62 Å²	62	30%	0.301	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	119.2	163	178.8	-87.8	0	0	0	109.6	S37 R38 Y40 N74	H35-S37 PolarHBondContact O-N 3.47Å; H35-R38 PolarHBondContact N-O 3.49Å; H35-R38 PolarHBondContact O-N 3.22Å; H35-Y40 HydrophobicContact CB-CD2 4.11Å; H35-Y40 HydrophobicContact CB-CE2 3.89Å; H35-N74 PolarHBondContact CE1-ND2 3.35Å; H35-N74 VanDerWaalsContact CE1-ND2 3.25Å; H35-N74 WeakPolarHBondContact NE2-CB 3.41Å; H35-N74 PolarHBondContact NE2-ND2 3.47Å
36	G	92.5	Very high	97	Very high	53 Å²	53	66.5 Å²	66.5	55%	0.546	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	-130.1	-166.5	0	0	0	0	0	111	L34	L34-G36 WeakPolarHBondContact CD1-O 3.47Å
37	S	94.1	Very high	97.1	Very high	61 Å²	61	65.2 Å²	65.2	43%	0.427	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	26.4	175.9	56.8	0	0	0	0	113.2	H35 S155	H35-S37 PolarHBondContact O-N 3.47Å; S37-S155 WeakPolarHBondContact CA-OG 3.5Å; S37-S155 PolarHBondContact O-N 2.83Å; S37-S155 PolarHBondContact O-OG 3.25Å
38	R	97.9	Very high	97.1	Very high	76 Å²	76	66.1 Å²	66.1	29%	0.287	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.3	-180	-62.7	-174.2	78.9	74.9	1.2	111.8	H35 Y40 E152 D154	H35-R38 PolarHBondContact N-O 3.49Å; H35-R38 PolarHBondContact O-N 3.22Å; R38-Y40 HydrophobicContact CB-CE2 3.67Å; R38-E152 IonicContact CZ-OE2 3.51Å; R38-E152 IonicContact NE-OE2 2.85Å; R38-E152 PolarHBondContact NE-OE2 3.13Å; R38-E152 IonicContact NH2-OE2 3.35Å; R38-E152 PolarHBondContact NH2-OE2 3.01Å; R38-D154 IonicContact CZ-OD1 3.57Å; R38-D154 IonicContact NH1-OD1 2.76Å; R38-D154 PolarHBondContact NH1-OD1 2.93Å; R38-D154 IonicContact NH2-OD1 3.84Å
39	C	98.7	Very high	97.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133	179.6	-69.7	0	0	0	0	110.4	C27 W32 F33 E152 K153	C27-C39 WeakPolarHBondContact CA-SG 3.24Å; C27-C39 HydrophobicContact CB-CB 3.93Å; C27-C39 WeakPolarHBondContact CB-SG 2.96Å; C27-C39 WeakPolarHBondContact SG-CA 3.08Å; C27-C39 WeakPolarHBondContact SG-CB 2.98Å; C27-C39 CovalentContact SG-SG 2.03Å; C27-C39 PolarHBondContact SG-SG 3.38Å; W32-C39 HydrophobicContact CB-CB 4.42Å; W32-C39 HydrophobicContact CE3-CB 4.13Å; F33-C39 WeakPolarHBondContact O-CA 3.44Å; C39-E152 CarbonylContact O-C 3.47Å; C39-E152 VanDerWaalsContact O-CA 3.25Å; C39-E152 WeakPolarHBondContact O-CA 3.22Å; C39-K153 HydrophobicContact CB-CG 4.02Å; C39-K153 PolarHBondContact N-O 3.33Å; C39-K153 PolarHBondContact O-N 3.23Å
40	Y	98.8	Very high	97.3	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.7	-176.5	-58.6	-84.9	0	0	0	110.8	W32 F33 H35 R38 F64 N71 V75 C151 E152	W32-Y40 CarbonylContact C-O 3.54Å; W32-Y40 VanDerWaalsContact CA-O 3.28Å; W32-Y40 WeakPolarHBondContact CA-O 3.39Å; F33-Y40 WeakPolarHBondContact CD1-O 3.48Å; F33-Y40 HydrophobicContact CE2-CD2 4.17Å; F33-Y40 HydrophobicContact CE2-CG 4.24Å; F33-Y40 HydrophobicContact CZ-CG 4.27Å; F33-Y40 PolarHBondContact N-O 3.46Å; F33-Y40 PolarHBondContact O-N 3.46Å; H35-Y40 HydrophobicContact CB-CD2 4.11Å; H35-Y40 HydrophobicContact CB-CE2 3.89Å; R38-Y40 HydrophobicContact CB-CE2 3.67Å; Y40-F64 HydrophobicContact CD1-CD2 4.02Å; Y40-F64 HydrophobicContact CD1-CE2 4.34Å; Y40-F64 HydrophobicContact CD1-CG 4.47Å; Y40-F64 AromaticContact CE1-CD2 3.57Å; Y40-F64 HydrophobicContact CE1-CD2 3.57Å; Y40-F64 AromaticContact CE1-CE2 3.64Å; Y40-F64 HydrophobicContact CE1-CE2 3.64Å; Y40-F64 HydrophobicContact CE1-CG 4.43Å; Y40-N71 PolarHBondContact OH-ND2 2.92Å; Y40-V75 HydrophobicContact CD1-CB 4.42Å; Y40-V75 HydrophobicContact CD1-CG1 3.73Å; Y40-V75 HydrophobicContact CD1-CG2 3.71Å; Y40-V75 HydrophobicContact CD2-CG2 3.82Å; Y40-V75 HydrophobicContact CE1-CG1 4.31Å; Y40-V75 HydrophobicContact CE1-CG2 3.59Å; Y40-V75 HydrophobicContact CE2-CG2 3.7Å; Y40-V75 HydrophobicContact CG-CG1 3.93Å; Y40-V75 HydrophobicContact CG-CG2 3.81Å; Y40-C151 CarbonylContact C-O 3.48Å; Y40-C151 WeakPolarHBondContact CA-O 3.45Å; Y40-E152 HydrophobicContact CD1-CB 3.58Å; Y40-E152 HydrophobicContact CE1-CB 3.59Å
41	R	98.4	Very high	97.4	Very high	83 Å²	83	56.2 Å²	56.2	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134	172.2	-178.1	166	174.4	170.2	3	112.3	P30 G31 W32 F43 I150 C151	P30-R41 PolarHBondContact O-NH1 2.97Å; G31-R41 WeakPolarHBondContact O-CD 3.45Å; G31-R41 WeakPolarHBondContact O-CG 3.47Å; W32-R41 HydrophobicContact CD2-CB 3.59Å; W32-R41 HydrophobicContact CE3-CB 3.63Å; W32-R41 HydrophobicContact CG-CB 4.06Å; W32-R41 HydrophobicContact CH2-CB 4.23Å; W32-R41 HydrophobicContact CZ2-CB 4.23Å; W32-R41 HydrophobicContact CZ3-CB 3.95Å; R41-F43 HydrophobicContact CB-CE2 3.91Å; R41-F43 HydrophobicContact CB-CZ 4.37Å; R41-F43 HydrophobicContact CG-CD2 4.17Å; R41-F43 HydrophobicContact CG-CE1 4.34Å; R41-F43 HydrophobicContact CG-CE2 3.65Å; R41-F43 HydrophobicContact CG-CZ 3.76Å; R41-I150 WeakPolarHBondContact O-CA 3.43Å; R41-C151 PolarHBondContact N-O 2.93Å; R41-C151 PolarHBondContact O-N 3.35Å
42	M	97.5	Very high	97.5	Very high	23 Å²	23	53.4 Å²	53.4	11%	0.113	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.3	171.1	-66.6	-165.2	71.7	0	0	111.4	Y44 Q78 M79 I150	M42-Y44 HydrophobicContact CB-CE2 4.17Å; M42-Y44 HydrophobicContact CE-CE1 3.87Å; M42-Q78 VanDerWaalsContact SD-C 3.53Å; M42-Q78 HydrophobicContact SD-CB 4.15Å; M42-Q78 VanDerWaalsContact SD-O 3.41Å; M42-M79 HydrophobicContact CE-CB 3.75Å; M42-M79 HydrophobicContact CE-CG 3.33Å; M42-M79 HydrophobicContact CE-SD 3.84Å; M42-M79 VanDerWaalsContact SD-CA 3.5Å; M42-M79 HydrophobicContact SD-CB 4.03Å; M42-M79 HydrophobicContact SD-CG 3.63Å; M42-I150 HydrophobicContact CG-CG1 4.32Å
43	F	98.3	Very high	97.6	Very high	17 Å²	17	53.4 Å²	53.4	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.3	173.9	-72.4	-78.3	0	0	0	109.4	R41 N45 F55 P148 F149 C151	R41-F43 HydrophobicContact CB-CE2 3.91Å; R41-F43 HydrophobicContact CB-CZ 4.37Å; R41-F43 HydrophobicContact CG-CD2 4.17Å; R41-F43 HydrophobicContact CG-CE1 4.34Å; R41-F43 HydrophobicContact CG-CE2 3.65Å; R41-F43 HydrophobicContact CG-CZ 3.76Å; F43-N45 WeakPolarHBondContact CB-OD1 3.49Å; F43-F55 AromaticContact CD1-CE1 3.57Å; F43-F55 HydrophobicContact CD1-CE1 3.57Å; F43-F55 AromaticContact CD1-CZ 3.99Å; F43-F55 HydrophobicContact CD1-CZ 3.99Å; F43-F55 HydrophobicContact CD2-CE1 4.08Å; F43-F55 AromaticContact CE1-CE1 3.48Å; F43-F55 HydrophobicContact CE1-CE1 3.48Å; F43-F55 VanDerWaalsContact CE1-CE1 3.48Å; F43-F55 AromaticContact CE1-CZ 3.89Å; F43-F55 HydrophobicContact CE1-CZ 3.89Å; F43-F55 AromaticContact CE2-CE1 3.99Å; F43-F55 HydrophobicContact CE2-CE1 3.99Å; F43-F55 AromaticContact CG-CE1 3.87Å; F43-F55 HydrophobicContact CG-CE1 3.87Å; F43-F55 AromaticContact CZ-CE1 3.68Å; F43-F55 HydrophobicContact CZ-CE1 3.68Å; F43-F55 HydrophobicContact CZ-CZ 4.46Å; F43-P148 CarbonylContact O-C 3.41Å; F43-P148 VanDerWaalsContact O-CA 3.22Å; F43-P148 WeakPolarHBondContact O-CA 3.42Å; F43-P148 WeakPolarHBondContact O-CB 3.17Å; F43-F149 HydrophobicContact CB-CD1 4.21Å; F43-F149 HydrophobicContact CB-CD2 3.94Å; F43-F149 HydrophobicContact CB-CE1 3.79Å; F43-F149 HydrophobicContact CB-CE2 3.5Å; F43-F149 VanDerWaalsContact CB-CE2 3.5Å; F43-F149 HydrophobicContact CB-CG 4.26Å; F43-F149 HydrophobicContact CB-CZ 3.41Å; F43-F149 VanDerWaalsContact CB-CZ 3.41Å; F43-F149 HydrophobicContact CD2-CD2 4.22Å; F43-F149 AromaticContact CD2-CE2 3.71Å; F43-F149 HydrophobicContact CD2-CE2 3.71Å; F43-F149 HydrophobicContact CD2-CZ 4.34Å; F43-F149 HydrophobicContact CG-CD2 4.46Å; F43-F149 AromaticContact CG-CE2 3.78Å; F43-F149 HydrophobicContact CG-CE2 3.78Å; F43-F149 AromaticContact CG-CZ 3.94Å; F43-F149 HydrophobicContact CG-CZ 3.94Å; F43-F149 PolarHBondContact N-O 3.5Å; F43-F149 PolarHBondContact O-N 2.6Å; F43-C151 HydrophobicContact CD2-CB 4.33Å; F43-C151 VanDerWaalsContact CD2-SG 3.54Å; F43-C151 HydrophobicContact CE2-CB 4.02Å; F43-C151 VanDerWaalsContact CE2-SG 3.53Å
44	Y	97.2	Very high	97.6	Very high	128 Å²	128	55.1 Å²	55.1	50%	0.502	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-13.8	-175.5	-65.2	-74.1	0	0	0	113.6	M42 R46 P80 P148	M42-Y44 HydrophobicContact CB-CE2 4.17Å; M42-Y44 HydrophobicContact CE-CE1 3.87Å; Y44-R46 PolarHBondContact O-N 3.46Å; Y44-R46 VanDerWaalsContact O-N 3.09Å; Y44-P80 HydrophobicContact CE1-CG 4.16Å; Y44-P148 HydrophobicContact CD1-CB 4.4Å
45	N	96.7	Very high	97.7	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	107	172.2	57.4	-47.1	0	0	0	109.4	F43 K47 F149	F43-N45 WeakPolarHBondContact CB-OD1 3.49Å; N45-K47 WeakPolarHBondContact ND2-CE 3.43Å; N45-K47 PolarHBondContact O-N 3.27Å; N45-F149 VanDerWaalsContact O-CE1 3.28Å; N45-F149 WeakPolarHBondContact O-CE1 3.45Å
46	R	98.6	Very high	97.8	Very high	162 Å²	162	50 Å²	50	61%	0.611	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.9	-168.4	-58.9	-173	166.7	-151.6	3.4	112.3	Y44 P146 R147 P148	Y44-R46 PolarHBondContact O-N 3.46Å; Y44-R46 VanDerWaalsContact O-N 3.09Å; R46-P146 HydrophobicContact CB-CB 3.94Å; R46-R147 CarbonylContact C-O 3.46Å; R46-R147 VanDerWaalsContact CA-O 3.28Å; R46-R147 WeakPolarHBondContact CA-O 3.49Å; R46-P148 HydrophobicContact CG-CG 4.4Å
47	K	98.8	Very high	98.1	Very high	58 Å²	58	53.4 Å²	53.4	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.4	176.8	-68.7	-178.8	-171.3	-77	0	110.5	N45 N51 A52 F55 W86 P146 R147 F149	N45-K47 WeakPolarHBondContact ND2-CE 3.43Å; N45-K47 PolarHBondContact O-N 3.27Å; K47-N51 HydrophobicContact CB-CB 4.08Å; K47-N51 HydrophobicContact CD-CB 4.2Å; K47-N51 HydrophobicContact CG-CB 4.41Å; K47-A52 HydrophobicContact CB-CB 4.15Å; K47-F55 HydrophobicContact CD-CB 4.11Å; K47-F55 HydrophobicContact CD-CG 4.48Å; K47-W86 VanDerWaalsContact O-CD1 3.3Å; K47-W86 PolarHBondContact O-NE1 3.37Å; K47-P146 WeakPolarHBondContact O-CA 3.41Å; K47-R147 PolarHBondContact N-O 3.41Å; K47-R147 PolarHBondContact O-N 2.86Å; K47-F149 HydrophobicContact CB-CD1 4.28Å; K47-F149 HydrophobicContact CB-CE1 4.06Å; K47-F149 HydrophobicContact CD-CE1 3.62Å; K47-F149 HydrophobicContact CD-CZ 3.88Å; K47-F149 HydrophobicContact CG-CE1 3.88Å
48	N	98.4	Very high	98.3	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.251	27%	0.265	S	S	.	.			trans	-64.5	165.4	162.7	70.3	37	0	0	0	109.6	A50 N51 A52 C143 I144	N48-A50 PolarHBondContact O-N 2.87Å; N48-A50 PolarHBondContact OD1-N 3.26Å; N48-N51 PolarHBondContact ND2-ND2 3.47Å; N48-N51 PolarHBondContact O-N 3.31Å; N48-N51 VanDerWaalsContact OD1-CB 3.25Å; N48-N51 WeakPolarHBondContact OD1-CB 3.48Å; N48-N51 VanDerWaalsContact OD1-CG 3.25Å; N48-N51 PolarHBondContact OD1-N 3.48Å; N48-A52 WeakPolarHBondContact O-CB 3.41Å; N48-A52 PolarHBondContact O-N 2.91Å; N48-C143 WeakPolarHBondContact CB-O 3.26Å; N48-I144 WeakPolarHBondContact CB-O 3.35Å
49	H	97.9	Very high	98.3	Very high	5 Å²	5	59 Å²	59	2%	0.023	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-44.3	-173.4	-176.4	-89.5	0	0	0	112.9	N51 A52 Q53 L63 W86 I87 R90 C125 C143	H49-N51 PolarHBondContact O-N 3.02Å; H49-A52 WeakPolarHBondContact O-CB 3.42Å; H49-A52 PolarHBondContact O-N 3.39Å; H49-Q53 WeakPolarHBondContact O-CB 3.28Å; H49-Q53 PolarHBondContact O-N 3.37Å; H49-L63 WeakPolarHBondContact NE2-CD2 3.16Å; H49-W86 HydrophobicContact CB-CD2 4.21Å; H49-W86 HydrophobicContact CB-CG 4.47Å; H49-W86 AromaticContact CD2-CE3 4Å; H49-I87 PolarHBondContact NE2-O 2.76Å; H49-R90 PolarHBondContact ND1-NH2 3.48Å; H49-C125 HydrophobicContact CB-CB 3.86Å; H49-C125 PolarHBondContact ND1-SG 2.03Å; H49-C143 HydrophobicContact CB-CB 4.24Å; H49-C143 PolarHBondContact N-O 2.79Å
50	A	97.9	Very high	98.3	Very high	44 Å²	44	61.9 Å²	61.9	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-40.6	-179.6	0	0	0	0	0	112.6	N48 Q53 N54	N48-A50 PolarHBondContact O-N 2.87Å; N48-A50 PolarHBondContact OD1-N 3.26Å; A50-Q53 WeakPolarHBondContact O-CB 3.45Å; A50-Q53 PolarHBondContact O-N 3.45Å; A50-N54 VanDerWaalsContact O-CG 3.31Å; A50-N54 PolarHBondContact O-N 3.3Å
51	N	98.8	Very high	98.3	Very high	82 Å²	82	62.3 Å²	62.3	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-73.3	-31.9	177.9	-70	-6.6	0	0	0	111.9	K47 N48 H49 F55	K47-N51 HydrophobicContact CB-CB 4.08Å; K47-N51 HydrophobicContact CD-CB 4.2Å; K47-N51 HydrophobicContact CG-CB 4.41Å; N48-N51 PolarHBondContact ND2-ND2 3.47Å; N48-N51 PolarHBondContact O-N 3.31Å; N48-N51 VanDerWaalsContact OD1-CB 3.25Å; N48-N51 WeakPolarHBondContact OD1-CB 3.48Å; N48-N51 VanDerWaalsContact OD1-CG 3.25Å; N48-N51 PolarHBondContact OD1-N 3.48Å; H49-N51 PolarHBondContact O-N 3.02Å; N51-F55 VanDerWaalsContact O-CB 3.27Å; N51-F55 WeakPolarHBondContact O-CB 3.46Å; N51-F55 PolarHBondContact O-N 3.02Å
52	A	98.8	Very high	98.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-46.5	170.6	0	0	0	0	0	110.9	K47 N48 H49 N54 F55 C56 L63 F149	K47-A52 HydrophobicContact CB-CB 4.15Å; N48-A52 WeakPolarHBondContact O-CB 3.41Å; N48-A52 PolarHBondContact O-N 2.91Å; H49-A52 WeakPolarHBondContact O-CB 3.42Å; H49-A52 PolarHBondContact O-N 3.39Å; A52-N54 PolarHBondContact O-N 3.48Å; A52-F55 PolarHBondContact O-N 2.6Å; A52-C56 PolarHBondContact O-N 2.84Å; A52-C56 PolarHBondContact O-SG 2.87Å; A52-C56 VanDerWaalsContact O-SG 3.36Å; A52-L63 HydrophobicContact CB-CD1 4.18Å; A52-F149 HydrophobicContact CB-CB 3.69Å; A52-F149 HydrophobicContact CB-CD1 3.65Å; A52-F149 HydrophobicContact CB-CD2 3.87Å; A52-F149 HydrophobicContact CB-CE1 4.22Å; A52-F149 HydrophobicContact CB-CE2 4.4Å; A52-F149 HydrophobicContact CB-CG 3.47Å; A52-F149 VanDerWaalsContact CB-CG 3.47Å
53	Q	98.5	Very high	98.3	Very high	21 Å²	21	60 Å²	60	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-57.1	-49.5	175.3	177.3	62.5	64.3	0	0	112.4	H49 A50 F55 C56 K57 D62 L63 N88	H49-Q53 WeakPolarHBondContact O-CB 3.28Å; H49-Q53 PolarHBondContact O-N 3.37Å; A50-Q53 WeakPolarHBondContact O-CB 3.45Å; A50-Q53 PolarHBondContact O-N 3.45Å; Q53-F55 VanDerWaalsContact C-N 3.32Å; Q53-F55 PolarHBondContact O-N 2.86Å; Q53-C56 PolarHBondContact O-N 3.14Å; Q53-K57 VanDerWaalsContact NE2-CE 3.34Å; Q53-K57 WeakPolarHBondContact O-CG 3.16Å; Q53-K57 PolarHBondContact O-N 3.35Å; Q53-K57 VanDerWaalsContact O-N 3.08Å; Q53-D62 PolarHBondContact NE2-OD1 3.15Å; Q53-D62 PolarHBondContact OE1-OD1 3.39Å; Q53-L63 VanDerWaalsContact OE1-CB 3.23Å; Q53-N88 PolarHBondContact OE1-OD1 2.94Å
54	N	98.8	Very high	98.3	Very high	82 Å²	82	59.2 Å²	59.2	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-40.2	178.4	-70.2	-12.2	0	0	0	111.5	A50 A52 C56 K57 E58	A50-N54 VanDerWaalsContact O-CG 3.31Å; A50-N54 PolarHBondContact O-N 3.3Å; A52-N54 PolarHBondContact O-N 3.48Å; N54-C56 PolarHBondContact O-N 3.18Å; N54-K57 WeakPolarHBondContact O-CB 3.48Å; N54-K57 PolarHBondContact O-N 3.08Å; N54-K57 VanDerWaalsContact O-N 3.14Å; N54-E58 WeakPolarHBondContact O-CG 3.06Å; N54-E58 PolarHBondContact O-N 2.94Å
55	F	98.8	Very high	98.2	Very high	33 Å²	33	55.2 Å²	55.2	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.3	-176	-81.8	0	0	0	112.2	F43 K47 N51 A52 Q53 K57 E58 K59 F149	F43-F55 AromaticContact CD1-CE1 3.57Å; F43-F55 HydrophobicContact CD1-CE1 3.57Å; F43-F55 AromaticContact CD1-CZ 3.99Å; F43-F55 HydrophobicContact CD1-CZ 3.99Å; F43-F55 HydrophobicContact CD2-CE1 4.08Å; F43-F55 AromaticContact CE1-CE1 3.48Å; F43-F55 HydrophobicContact CE1-CE1 3.48Å; F43-F55 VanDerWaalsContact CE1-CE1 3.48Å; F43-F55 AromaticContact CE1-CZ 3.89Å; F43-F55 HydrophobicContact CE1-CZ 3.89Å; F43-F55 AromaticContact CE2-CE1 3.99Å; F43-F55 HydrophobicContact CE2-CE1 3.99Å; F43-F55 AromaticContact CG-CE1 3.87Å; F43-F55 HydrophobicContact CG-CE1 3.87Å; F43-F55 AromaticContact CZ-CE1 3.68Å; F43-F55 HydrophobicContact CZ-CE1 3.68Å; F43-F55 HydrophobicContact CZ-CZ 4.46Å; K47-F55 HydrophobicContact CD-CB 4.11Å; K47-F55 HydrophobicContact CD-CG 4.48Å; N51-F55 VanDerWaalsContact O-CB 3.27Å; N51-F55 WeakPolarHBondContact O-CB 3.46Å; N51-F55 PolarHBondContact O-N 3.02Å; A52-F55 PolarHBondContact O-N 2.6Å; Q53-F55 VanDerWaalsContact C-N 3.32Å; Q53-F55 PolarHBondContact O-N 2.86Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 2.85Å; F55-E58 PolarHBondContact O-N 3.47Å; F55-K59 HydrophobicContact CD1-CG 4.38Å; F55-K59 HydrophobicContact CE1-CG 4.04Å; F55-K59 WeakPolarHBondContact O-CG 3.19Å; F55-K59 PolarHBondContact O-N 3.27Å; F55-F149 HydrophobicContact CB-CE2 4.24Å; F55-F149 HydrophobicContact CB-CZ 4.08Å; F55-F149 AromaticContact CD1-CE2 3.48Å; F55-F149 HydrophobicContact CD1-CE2 3.48Å; F55-F149 VanDerWaalsContact CD1-CE2 3.48Å; F55-F149 AromaticContact CD1-CZ 3.48Å; F55-F149 HydrophobicContact CD1-CZ 3.48Å; F55-F149 VanDerWaalsContact CD1-CZ 3.48Å; F55-F149 HydrophobicContact CE1-CE2 4.14Å; F55-F149 HydrophobicContact CE1-CZ 4.01Å; F55-F149 HydrophobicContact CG-CE2 4.12Å; F55-F149 AromaticContact CG-CZ 3.81Å; F55-F149 HydrophobicContact CG-CZ 3.81Å
56	C	98.8	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-43.6	173.7	-62.1	0	0	0	0	110.8	A52 Q53 N54 E58 K59 G60 S61 D62 C151	A52-C56 PolarHBondContact O-N 2.84Å; A52-C56 PolarHBondContact O-SG 2.87Å; A52-C56 VanDerWaalsContact O-SG 3.36Å; Q53-C56 PolarHBondContact O-N 3.14Å; N54-C56 PolarHBondContact O-N 3.18Å; C56-E58 VanDerWaalsContact C-N 3.35Å; C56-E58 PolarHBondContact O-N 2.99Å; C56-K59 CarbonylContact O-C 3.44Å; C56-K59 WeakPolarHBondContact O-CA 3.45Å; C56-K59 WeakPolarHBondContact O-CB 3.4Å; C56-K59 PolarHBondContact O-N 2.96Å; C56-G60 PolarHBondContact O-N 3.36Å; C56-S61 CarbonylContact C-O 3.58Å; C56-S61 VanDerWaalsContact C-OG 3.22Å; C56-S61 WeakPolarHBondContact CA-OG 3.22Å; C56-S61 WeakPolarHBondContact CB-OG 3.49Å; C56-S61 CarbonylContact O-C 3.51Å; C56-S61 WeakPolarHBondContact O-CA 3.27Å; C56-S61 WeakPolarHBondContact O-CB 3.44Å; C56-S61 PolarHBondContact O-N 2.88Å; C56-S61 PolarHBondContact O-OG 2.77Å; C56-D62 VanDerWaalsContact CB-C 3.4Å; C56-D62 WeakPolarHBondContact CB-O 3.34Å; C56-C151 WeakPolarHBondContact CA-SG 3.25Å; C56-C151 HydrophobicContact CB-CB 3.73Å; C56-C151 WeakPolarHBondContact CB-SG 3.44Å; C56-C151 VanDerWaalsContact SG-CA 3.51Å; C56-C151 WeakPolarHBondContact SG-CB 3.48Å; C56-C151 CovalentContact SG-SG 2.04Å; C56-C151 PolarHBondContact SG-SG 2.8Å
57	K	98.7	Very high	97.6	Very high	124 Å²	124	47.5 Å²	47.5	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-42.2	176.9	-71.2	-179.4	173.8	-176.4	0	112.8	Q53 N54 F55 K59 G60 S61	Q53-K57 VanDerWaalsContact NE2-CE 3.34Å; Q53-K57 WeakPolarHBondContact O-CG 3.16Å; Q53-K57 PolarHBondContact O-N 3.35Å; Q53-K57 VanDerWaalsContact O-N 3.08Å; N54-K57 WeakPolarHBondContact O-CB 3.48Å; N54-K57 PolarHBondContact O-N 3.08Å; N54-K57 VanDerWaalsContact O-N 3.14Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 2.85Å; K57-K59 PolarHBondContact O-N 3.5Å; K57-K59 VanDerWaalsContact O-N 3.15Å; K57-G60 PolarHBondContact O-N 2.04Å; K57-S61 WeakPolarHBondContact CA-O 3.07Å; K57-S61 PolarHBondContact N-O 3.04Å
58	E	98.5	Very high	97.2	Very high	150 Å²	150	46.7 Å²	46.7	70%	0.701	26%	0.262	S	S	*	.	H	α-helix	trans	-60.7	-21.2	173.7	-72.1	170.6	-173.3	0	0	113.5	N54 F55 C56	N54-E58 WeakPolarHBondContact O-CG 3.06Å; N54-E58 PolarHBondContact O-N 2.94Å; F55-E58 PolarHBondContact O-N 3.47Å; C56-E58 VanDerWaalsContact C-N 3.35Å; C56-E58 PolarHBondContact O-N 2.99Å
59	K	97.7	Very high	96.9	Very high	104 Å²	104	47.1 Å²	47.1	45%	0.452	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	14.1	174.8	-60.6	-57.4	-179.1	-169.5	0	113.8	W32 F55 C56 K57 S61	W32-K59 HydrophobicContact CZ2-CB 4.21Å; F55-K59 HydrophobicContact CD1-CG 4.38Å; F55-K59 HydrophobicContact CE1-CG 4.04Å; F55-K59 WeakPolarHBondContact O-CG 3.19Å; F55-K59 PolarHBondContact O-N 3.27Å; C56-K59 CarbonylContact O-C 3.44Å; C56-K59 WeakPolarHBondContact O-CA 3.45Å; C56-K59 WeakPolarHBondContact O-CB 3.4Å; C56-K59 PolarHBondContact O-N 2.96Å; K57-K59 PolarHBondContact O-N 3.5Å; K57-K59 VanDerWaalsContact O-N 3.15Å; K59-S61 VanDerWaalsContact C-N 3.26Å; K59-S61 PolarHBondContact O-N 3.31Å
60	G	98	Very high	96.6	Very high	62 Å²	62	53.3 Å²	53.3	64%	0.639	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	37.4	-175.9	0	0	0	0	0	111.7	C56 K57	C56-G60 PolarHBondContact O-N 3.36Å; K57-G60 PolarHBondContact O-N 2.04Å
61	S	98.4	Very high	96.4	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.084	28%	0.281	C	S	.	.			trans	-141.2	176.9	-174.5	69.9	0	0	0	0	110.5	W32 C56 K57 K59 E152	W32-S61 WeakPolarHBondContact CH2-OG 3.39Å; C56-S61 CarbonylContact C-O 3.58Å; C56-S61 VanDerWaalsContact C-OG 3.22Å; C56-S61 WeakPolarHBondContact CA-OG 3.22Å; C56-S61 WeakPolarHBondContact CB-OG 3.49Å; C56-S61 CarbonylContact O-C 3.51Å; C56-S61 WeakPolarHBondContact O-CA 3.27Å; C56-S61 WeakPolarHBondContact O-CB 3.44Å; C56-S61 PolarHBondContact O-N 2.88Å; C56-S61 PolarHBondContact O-OG 2.77Å; K57-S61 WeakPolarHBondContact CA-O 3.07Å; K57-S61 PolarHBondContact N-O 3.04Å; K59-S61 VanDerWaalsContact C-N 3.26Å; K59-S61 PolarHBondContact O-N 3.31Å; S61-E152 WeakPolarHBondContact CA-O 3.32Å; S61-E152 WeakPolarHBondContact CB-O 3.41Å
62	D	98.5	Very high	96.2	Very high	57 Å²	57	47.8 Å²	47.8	31%	0.305	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	164.5	172.3	-147.5	-49	0	0	0	109.8	Q53 C56 N88 C151 E152	Q53-D62 PolarHBondContact NE2-OD1 3.15Å; Q53-D62 PolarHBondContact OE1-OD1 3.39Å; C56-D62 VanDerWaalsContact CB-C 3.4Å; C56-D62 WeakPolarHBondContact CB-O 3.34Å; D62-N88 PolarHBondContact OD1-ND2 2.93Å; D62-C151 CarbonylContact O-C 3.58Å; D62-C151 WeakPolarHBondContact O-CA 3.29Å; D62-E152 PolarHBondContact N-O 2.97Å; D62-E152 PolarHBondContact O-N 3.11Å
63	L	98.5	Very high	96	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	142	166.9	-169.3	71.5	0	0	0	107.7	H49 A52 Q53 L65 W86 I87 N88 F149 I150	H49-L63 WeakPolarHBondContact NE2-CD2 3.16Å; A52-L63 HydrophobicContact CB-CD1 4.18Å; Q53-L63 VanDerWaalsContact OE1-CB 3.23Å; L63-L65 PolarHBondContact O-N 2.88Å; L63-W86 HydrophobicContact CD1-CB 4.3Å; L63-W86 HydrophobicContact CD2-CB 4.33Å; L63-I87 VanDerWaalsContact CD2-C 3.45Å; L63-I87 WeakPolarHBondContact CD2-O 3.24Å; L63-N88 HydrophobicContact CB-CB 3.84Å; L63-N88 HydrophobicContact CD2-CB 4.25Å; L63-N88 HydrophobicContact CG-CB 4.13Å; L63-N88 WeakPolarHBondContact O-CB 3.39Å; L63-N88 PolarHBondContact O-ND2 3.02Å; L63-F149 HydrophobicContact CD1-CB 3.85Å; L63-F149 HydrophobicContact CD1-CD2 4.29Å; L63-F149 HydrophobicContact CD1-CG 4.49Å; L63-I150 WeakPolarHBondContact CD1-O 3.42Å
64	F	97.8	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.			trans	-63.8	121.9	-172.8	168.6	-136.1	0	0	0	112.7	Y40 P66 N71 L72 V75 I87 N88 I150 E152	Y40-F64 HydrophobicContact CD1-CD2 4.02Å; Y40-F64 HydrophobicContact CD1-CE2 4.34Å; Y40-F64 HydrophobicContact CD1-CG 4.47Å; Y40-F64 AromaticContact CE1-CD2 3.57Å; Y40-F64 HydrophobicContact CE1-CD2 3.57Å; Y40-F64 AromaticContact CE1-CE2 3.64Å; Y40-F64 HydrophobicContact CE1-CE2 3.64Å; Y40-F64 HydrophobicContact CE1-CG 4.43Å; F64-P66 HydrophobicContact CD1-CG 4.37Å; F64-P66 HydrophobicContact CE1-CB 4.32Å; F64-P66 HydrophobicContact CE1-CG 3.75Å; F64-P66 HydrophobicContact CE2-CB 4.26Å; F64-P66 HydrophobicContact CE2-CG 4.26Å; F64-P66 HydrophobicContact CZ-CB 3.77Å; F64-P66 HydrophobicContact CZ-CG 3.69Å; F64-N71 WeakPolarHBondContact CE2-OD1 3.39Å; F64-N71 WeakPolarHBondContact CZ-OD1 3.4Å; F64-L72 HydrophobicContact CE1-CD1 4.25Å; F64-V75 HydrophobicContact CD1-CG1 3.87Å; F64-V75 HydrophobicContact CE1-CB 3.85Å; F64-V75 HydrophobicContact CE1-CG1 3.64Å; F64-V75 HydrophobicContact CE1-CG2 4.36Å; F64-V75 HydrophobicContact CE2-CB 4.46Å; F64-V75 HydrophobicContact CE2-CG1 4.4Å; F64-V75 HydrophobicContact CE2-CG2 4.09Å; F64-V75 HydrophobicContact CG-CG1 4.34Å; F64-V75 HydrophobicContact CZ-CB 3.79Å; F64-V75 HydrophobicContact CZ-CG1 3.93Å; F64-V75 HydrophobicContact CZ-CG2 3.81Å; F64-I87 HydrophobicContact CB-CG2 4.49Å; F64-I87 HydrophobicContact CD1-CG2 3.66Å; F64-I87 HydrophobicContact CE1-CG2 4.35Å; F64-I87 HydrophobicContact CG-CG2 4.42Å; F64-I87 CarbonylContact O-C 3.48Å; F64-I87 VanDerWaalsContact O-CA 3.31Å; F64-I87 WeakPolarHBondContact O-CA 3.29Å; F64-I87 WeakPolarHBondContact O-CB 3.34Å; F64-N88 PolarHBondContact O-N 3.33Å; F64-I150 HydrophobicContact CB-CB 3.75Å; F64-I150 HydrophobicContact CB-CG2 3.65Å; F64-I150 WeakPolarHBondContact CB-O 3.46Å; F64-I150 HydrophobicContact CD1-CB 4.15Å; F64-I150 HydrophobicContact CD1-CD1 4Å; F64-I150 HydrophobicContact CD1-CG2 3.97Å; F64-I150 HydrophobicContact CG-CB 4.35Å; F64-I150 HydrophobicContact CG-CG2 4.01Å; F64-I150 PolarHBondContact N-O 3.11Å; F64-E152 HydrophobicContact CB-CB 4.4Å; F64-E152 HydrophobicContact CD2-CB 4.36Å
65	L	94.7	Very high	95.8	Very high	44 Å²	44	46.8 Å²	46.8	23%	0.23	25%	0.254	C	S	.	.			trans	-106.4	110.7	168.6	179.3	57.8	0	0	0	109.7	L63 S67 N88 L89 I101 V105 E152	L63-L65 PolarHBondContact O-N 2.88Å; L65-S67 PolarHBondContact O-N 2.92Å; L65-N88 HydrophobicContact CB-CB 4.16Å; L65-L89 HydrophobicContact CD1-CD2 3.42Å; L65-L89 VanDerWaalsContact CD1-CD2 3.42Å; L65-L89 HydrophobicContact CD1-CG 4.04Å; L65-I101 HydrophobicContact CD2-CG2 3.97Å; L65-V105 HydrophobicContact CD1-CG2 3.93Å; L65-E152 PolarHBondContact N-OE1 2.8Å
66	P	93	Very high	95.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.247	C	C	.	.			trans	-62.2	124.9	178.9	-19	28.6	0	0	0	112.4	F64 L72 I87 T104 L108	F64-P66 HydrophobicContact CD1-CG 4.37Å; F64-P66 HydrophobicContact CE1-CB 4.32Å; F64-P66 HydrophobicContact CE1-CG 3.75Å; F64-P66 HydrophobicContact CE2-CB 4.26Å; F64-P66 HydrophobicContact CE2-CG 4.26Å; F64-P66 HydrophobicContact CZ-CB 3.77Å; F64-P66 HydrophobicContact CZ-CG 3.69Å; P66-L72 HydrophobicContact CB-CB 3.95Å; P66-L72 HydrophobicContact CB-CD1 4.12Å; P66-L72 HydrophobicContact CG-CB 4.36Å; P66-L72 HydrophobicContact CG-CD1 3.56Å; P66-I87 HydrophobicContact CG-CD1 3.96Å; P66-T104 WeakPolarHBondContact O-CG2 3.19Å; P66-L108 HydrophobicContact CB-CD1 4.13Å; P66-L108 HydrophobicContact CB-CD2 3.89Å; P66-L108 HydrophobicContact CG-CD1 4.1Å
67	S	90.6	Very high	95.4	Very high	72 Å²	72	48.2 Å²	48.2	50%	0.503	26%	0.263	S	S	.	.	S	Bend	trans	-84.5	-11.8	178.8	62.7	0	0	0	0	114	L65 N71 T104	L65-S67 PolarHBondContact O-N 2.92Å; S67-N71 PolarHBondContact N-OD1 3.44Å; S67-N71 WeakPolarHBondContact OG-CB 3.46Å; S67-N71 PolarHBondContact OG-OD1 3.28Å; S67-T104 WeakPolarHBondContact O-CG2 3.31Å
68	S	90.4	Very high	95.1	Very high	41 Å²	41	47.7 Å²	47.7	29%	0.287	26%	0.262	S	S	.	.	S	Bend	trans	-165.4	170.7	174.2	68.9	0	0	0	0	109.7	E70 N71 L72	S68-E70 VanDerWaalsContact C-N 3.28Å; S68-E70 PolarHBondContact O-N 2.94Å; S68-E70 PolarHBondContact OG-N 3.25Å; S68-N71 PolarHBondContact O-N 2.99Å; S68-N71 WeakPolarHBondContact OG-CB 3.4Å; S68-N71 PolarHBondContact OG-N 3.4Å; S68-L72 PolarHBondContact O-N 2.74Å
69	V	91.2	Very high	94.9	Very high	56 Å²	56	40.7 Å²	40.7	34%	0.339	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-39.5	170.9	177.6	0	0	0	0	110.9	L72 H73 S107 L108	V69-L72 WeakPolarHBondContact O-CB 3.42Å; V69-L72 PolarHBondContact O-N 3.09Å; V69-H73 PolarHBondContact O-CD2 2.66Å; V69-H73 PolarHBondContact O-N 3.44Å; V69-S107 WeakPolarHBondContact CG2-O 3.36Å; V69-L108 HydrophobicContact CG2-CD2 4.43Å
70	E	92.7	Very high	94.6	Very high	135 Å²	135	38.9 Å²	38.9	63%	0.631	23%	0.228	S	C	*	.	H	α-helix	trans	-62.8	-46.1	176.2	-174.9	-177.4	170.4	0	0	111.5	S68 L72 H73 N74	S68-E70 VanDerWaalsContact C-N 3.28Å; S68-E70 PolarHBondContact O-N 2.94Å; S68-E70 PolarHBondContact OG-N 3.25Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.28Å; E70-H73 PolarHBondContact O-N 2.83Å; E70-H73 VanDerWaalsContact O-N 3.08Å; E70-N74 VanDerWaalsContact O-CG 3.25Å; E70-N74 PolarHBondContact O-N 3.26Å; E70-N74 PolarHBondContact O-OD1 3.41Å
71	N	93.9	Very high	94.3	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-39.7	176.2	179.6	-109.5	0	0	0	112	Y40 F64 S67 S68 H73 V75	Y40-N71 PolarHBondContact OH-ND2 2.92Å; F64-N71 WeakPolarHBondContact CE2-OD1 3.39Å; F64-N71 WeakPolarHBondContact CZ-OD1 3.4Å; S67-N71 PolarHBondContact N-OD1 3.44Å; S67-N71 WeakPolarHBondContact OG-CB 3.46Å; S67-N71 PolarHBondContact OG-OD1 3.28Å; S68-N71 PolarHBondContact O-N 2.99Å; S68-N71 WeakPolarHBondContact OG-CB 3.4Å; S68-N71 PolarHBondContact OG-N 3.4Å; N71-H73 VanDerWaalsContact C-N 3.33Å; N71-H73 PolarHBondContact O-N 2.82Å; N71-V75 WeakPolarHBondContact O-CB 2.94Å; N71-V75 VanDerWaalsContact O-CG2 3.24Å; N71-V75 WeakPolarHBondContact O-CG2 3.25Å; N71-V75 PolarHBondContact O-N 3.17Å; N71-V75 VanDerWaalsContact O-N 3.09Å
72	L	94.7	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-46.5	171.7	-179.8	71.8	0	0	0	111.4	F64 P66 S68 V69 E70 T76 L108 P109 V128 R136 V138	F64-L72 HydrophobicContact CE1-CD1 4.25Å; P66-L72 HydrophobicContact CB-CB 3.95Å; P66-L72 HydrophobicContact CB-CD1 4.12Å; P66-L72 HydrophobicContact CG-CB 4.36Å; P66-L72 HydrophobicContact CG-CD1 3.56Å; S68-L72 PolarHBondContact O-N 2.74Å; V69-L72 WeakPolarHBondContact O-CB 3.42Å; V69-L72 PolarHBondContact O-N 3.09Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.28Å; L72-T76 HydrophobicContact CD1-CG2 4.31Å; L72-T76 VanDerWaalsContact O-CB 3.29Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 WeakPolarHBondContact O-CG2 3.37Å; L72-T76 PolarHBondContact O-N 3.39Å; L72-T76 VanDerWaalsContact O-N 3.17Å; L72-T76 PolarHBondContact O-OG1 3.2Å; L72-L108 HydrophobicContact CB-CD2 4.29Å; L72-L108 HydrophobicContact CD2-CD2 4.21Å; L72-P109 HydrophobicContact CD2-CG 3.93Å; L72-V128 HydrophobicContact CD1-CB 4.11Å; L72-V128 HydrophobicContact CD1-CG2 3.81Å; L72-V128 HydrophobicContact CD2-CG2 4.47Å; L72-V128 HydrophobicContact CG-CG2 4.32Å; L72-R136 HydrophobicContact CD2-CB 4.17Å; L72-V138 HydrophobicContact CD2-CG2 3.96Å
73	H	94.7	Very high	93.8	Very high	39 Å²	39	44.2 Å²	44.2	18%	0.181	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-54.8	-179.6	-82.4	-124.9	0	0	0	111.2	V69 E70 N71 V75 T76 D77 M134	V69-H73 PolarHBondContact O-CD2 2.66Å; V69-H73 PolarHBondContact O-N 3.44Å; E70-H73 PolarHBondContact O-N 2.83Å; E70-H73 VanDerWaalsContact O-N 3.08Å; N71-H73 VanDerWaalsContact C-N 3.33Å; N71-H73 PolarHBondContact O-N 2.82Å; H73-V75 VanDerWaalsContact C-N 3.32Å; H73-V75 PolarHBondContact O-N 2.97Å; H73-T76 CarbonylContact O-C 3.57Å; H73-T76 PolarHBondContact O-N 3.25Å; H73-T76 PolarHBondContact O-OG1 3.3Å; H73-D77 VanDerWaalsContact O-CG 3.26Å; H73-D77 PolarHBondContact O-N 3.35Å; H73-M134 PolarHBondContact CE1-O 3.37Å
74	N	94.8	Very high	93.6	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-40.2	-173.4	-60.6	-8.1	0	0	0	112	H35 E70 T76	H35-N74 PolarHBondContact CE1-ND2 3.35Å; H35-N74 VanDerWaalsContact CE1-ND2 3.25Å; H35-N74 WeakPolarHBondContact NE2-CB 3.41Å; H35-N74 PolarHBondContact NE2-ND2 3.47Å; E70-N74 VanDerWaalsContact O-CG 3.25Å; E70-N74 PolarHBondContact O-N 3.26Å; E70-N74 PolarHBondContact O-OD1 3.41Å; N74-T76 VanDerWaalsContact C-N 3.33Å; N74-T76 PolarHBondContact O-N 2.77Å
75	V	96.4	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-34.2	175.8	175.9	0	0	0	0	111.5	F33 Y40 F64 N71 H73 I150	F33-V75 HydrophobicContact CZ-CG1 4.09Å; F33-V75 WeakPolarHBondContact CZ-O 3.42Å; Y40-V75 HydrophobicContact CD1-CB 4.42Å; Y40-V75 HydrophobicContact CD1-CG1 3.73Å; Y40-V75 HydrophobicContact CD1-CG2 3.71Å; Y40-V75 HydrophobicContact CD2-CG2 3.82Å; Y40-V75 HydrophobicContact CE1-CG1 4.31Å; Y40-V75 HydrophobicContact CE1-CG2 3.59Å; Y40-V75 HydrophobicContact CE2-CG2 3.7Å; Y40-V75 HydrophobicContact CG-CG1 3.93Å; Y40-V75 HydrophobicContact CG-CG2 3.81Å; F64-V75 HydrophobicContact CD1-CG1 3.87Å; F64-V75 HydrophobicContact CE1-CB 3.85Å; F64-V75 HydrophobicContact CE1-CG1 3.64Å; F64-V75 HydrophobicContact CE1-CG2 4.36Å; F64-V75 HydrophobicContact CE2-CB 4.46Å; F64-V75 HydrophobicContact CE2-CG1 4.4Å; F64-V75 HydrophobicContact CE2-CG2 4.09Å; F64-V75 HydrophobicContact CG-CG1 4.34Å; F64-V75 HydrophobicContact CZ-CB 3.79Å; F64-V75 HydrophobicContact CZ-CG1 3.93Å; F64-V75 HydrophobicContact CZ-CG2 3.81Å; N71-V75 WeakPolarHBondContact O-CB 2.94Å; N71-V75 VanDerWaalsContact O-CG2 3.24Å; N71-V75 WeakPolarHBondContact O-CG2 3.25Å; N71-V75 PolarHBondContact O-N 3.17Å; N71-V75 VanDerWaalsContact O-N 3.09Å; H73-V75 VanDerWaalsContact C-N 3.32Å; H73-V75 PolarHBondContact O-N 2.97Å; V75-I150 HydrophobicContact CG1-CD1 4.39Å; V75-I150 HydrophobicContact CG1-CG2 3.8Å
76	T	96.2	Very high	93.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-91.5	-1.2	-176.1	63.9	0	0	0	0	114.9	L72 H73 N74 Q78 M79 V128 R136 I150	L72-T76 HydrophobicContact CD1-CG2 4.31Å; L72-T76 VanDerWaalsContact O-CB 3.29Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 WeakPolarHBondContact O-CG2 3.37Å; L72-T76 PolarHBondContact O-N 3.39Å; L72-T76 VanDerWaalsContact O-N 3.17Å; L72-T76 PolarHBondContact O-OG1 3.2Å; H73-T76 CarbonylContact O-C 3.57Å; H73-T76 PolarHBondContact O-N 3.25Å; H73-T76 PolarHBondContact O-OG1 3.3Å; N74-T76 VanDerWaalsContact C-N 3.33Å; N74-T76 PolarHBondContact O-N 2.77Å; T76-Q78 PolarHBondContact O-N 3.37Å; T76-M79 HydrophobicContact CG2-CE 4.18Å; T76-M79 HydrophobicContact CG2-CG 4.23Å; T76-M79 HydrophobicContact CG2-SD 4.05Å; T76-M79 VanDerWaalsContact O-CB 3.3Å; T76-M79 WeakPolarHBondContact O-CB 3.28Å; T76-M79 VanDerWaalsContact O-CG 3.29Å; T76-M79 WeakPolarHBondContact O-CG 3.4Å; T76-M79 PolarHBondContact O-N 3.43Å; T76-V128 HydrophobicContact CG2-CB 4.37Å; T76-V128 HydrophobicContact CG2-CG1 3.71Å; T76-V128 HydrophobicContact CG2-CG2 3.93Å; T76-R136 WeakPolarHBondContact OG1-CD 3.22Å; T76-R136 PolarHBondContact OG1-NE 3.21Å; T76-R136 VanDerWaalsContact OG1-NE 3.15Å; T76-I150 HydrophobicContact CG2-CD1 3.92Å
77	D	94.4	Very high	94.1	Very high	63 Å²	63	43.5 Å²	43.5	34%	0.337	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.5	169.7	-72.6	-18.1	0	0	0	112.8	H73 M79 R130 R136	H73-D77 VanDerWaalsContact O-CG 3.26Å; H73-D77 PolarHBondContact O-N 3.35Å; D77-M79 VanDerWaalsContact C-N 3.29Å; D77-R130 PolarHBondContact O-NH1 3.27Å; D77-R136 IonicContact OD1-CZ 3.54Å; D77-R136 IonicContact OD1-NH2 2.6Å; D77-R136 PolarHBondContact OD1-NH2 3.11Å
78	Q	91.1	Very high	94.3	Very high	113 Å²	113	42.4 Å²	42.4	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10	171.5	-57.1	-58.3	-39	0	0	113	F33 M42 T76	F33-Q78 HydrophobicContact CD1-CG 4.11Å; F33-Q78 HydrophobicContact CD2-CG 4.13Å; F33-Q78 HydrophobicContact CE1-CB 4.09Å; F33-Q78 HydrophobicContact CE1-CG 3.78Å; F33-Q78 HydrophobicContact CE2-CG 3.8Å; F33-Q78 HydrophobicContact CG-CG 4.27Å; F33-Q78 HydrophobicContact CZ-CB 4.1Å; F33-Q78 HydrophobicContact CZ-CG 3.6Å; M42-Q78 VanDerWaalsContact SD-C 3.53Å; M42-Q78 HydrophobicContact SD-CB 4.15Å; M42-Q78 VanDerWaalsContact SD-O 3.41Å; T76-Q78 PolarHBondContact O-N 3.37Å
79	M	94.4	Very high	94.3	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	21%	0.21	C	C	.	.	S	Bend	trans	-76.9	146.1	179.3	-53.1	-151.3	-56	0	0	111.7	M42 T76 D77 A85 V128 R130 I150	M42-M79 HydrophobicContact CE-CB 3.75Å; M42-M79 HydrophobicContact CE-CG 3.33Å; M42-M79 HydrophobicContact CE-SD 3.84Å; M42-M79 VanDerWaalsContact SD-CA 3.5Å; M42-M79 HydrophobicContact SD-CB 4.03Å; M42-M79 HydrophobicContact SD-CG 3.63Å; T76-M79 HydrophobicContact CG2-CE 4.18Å; T76-M79 HydrophobicContact CG2-CG 4.23Å; T76-M79 HydrophobicContact CG2-SD 4.05Å; T76-M79 VanDerWaalsContact O-CB 3.3Å; T76-M79 WeakPolarHBondContact O-CB 3.28Å; T76-M79 VanDerWaalsContact O-CG 3.29Å; T76-M79 WeakPolarHBondContact O-CG 3.4Å; T76-M79 PolarHBondContact O-N 3.43Å; D77-M79 VanDerWaalsContact C-N 3.29Å; M79-A85 HydrophobicContact SD-CB 3.87Å; M79-V128 HydrophobicContact CE-CG1 3.95Å; M79-V128 HydrophobicContact CE-CG2 4.36Å; M79-V128 HydrophobicContact SD-CG1 3.88Å; M79-R130 HydrophobicContact CE-CB 3.47Å; M79-R130 VanDerWaalsContact CE-CB 3.47Å; M79-R130 WeakPolarHBondContact O-CD 3.41Å; M79-R130 PolarHBondContact O-NH1 3.09Å; M79-I150 HydrophobicContact SD-CD1 4.09Å
80	P	93.1	Very high	94.1	Very high	66 Å²	66	43.3 Å²	43.3	43%	0.429	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-60.3	155.1	170.3	26.3	-34.3	0	0	0	111.5	Y44 M82 G83	Y44-P80 HydrophobicContact CE1-CG 4.16Å; P80-M82 PolarHBondContact O-N 2.98Å; P80-G83 WeakPolarHBondContact O-CA 3.35Å; P80-G83 PolarHBondContact O-N 2.81Å
81	F	91.9	Very high	93.4	Very high	146 Å²	146	40.8 Å²	40.8	64%	0.64	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136.8	169.7	177.7	-107.4	0	0	0	110.3	G83 Q131	F81-G83 PolarHBondContact O-N 3.31Å; F81-G83 VanDerWaalsContact O-N 3.13Å; F81-Q131 WeakPolarHBondContact CE2-O 3.02Å
82	M	90.5	Very high	92.1	Very high	85 Å²	85	46.8 Å²	46.8	42%	0.419	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	17.2	-171.5	-62.5	-71	135.1	0	0	114.1	P80 F129 R130 Q131	P80-M82 PolarHBondContact O-N 2.98Å; M82-F129 HydrophobicContact CB-CE2 4.42Å; M82-F129 HydrophobicContact CB-CZ 4.48Å; M82-F129 VanDerWaalsContact O-CE2 3.29Å; M82-F129 WeakPolarHBondContact O-CE2 3.2Å; M82-F129 HydrophobicContact SD-CE1 4.13Å; M82-F129 HydrophobicContact SD-CE2 4.3Å; M82-F129 HydrophobicContact SD-CZ 3.5Å; M82-F129 WeakPolarHBondContact SD-CZ 3.43Å; M82-R130 WeakPolarHBondContact CA-O 3.48Å; M82-R130 PolarHBondContact N-O 3.49Å; M82-Q131 VanDerWaalsContact CE-CA 3.47Å; M82-Q131 HydrophobicContact CE-CB 4.19Å; M82-Q131 HydrophobicContact CE-CG 4.48Å; M82-Q131 WeakPolarHBondContact CE-O 3.43Å
83	G	94.4	Very high	90.3	Very high	11 Å²	11	52.3 Å²	52.3	11%	0.113	26%	0.26	C	S	.	.			trans	-70.6	147.9	172.8	0	0	0	0	0	111.9	P80 F81 F129 R130	P80-G83 WeakPolarHBondContact O-CA 3.35Å; P80-G83 PolarHBondContact O-N 2.81Å; F81-G83 PolarHBondContact O-N 3.31Å; F81-G83 VanDerWaalsContact O-N 3.13Å; G83-F129 WeakPolarHBondContact O-CA 3.31Å; G83-F129 VanDerWaalsContact O-CD2 3.26Å; G83-F129 WeakPolarHBondContact O-CD2 3.17Å; G83-R130 PolarHBondContact O-N 3.32Å
84	N	95.7	Very high	88.1	Confident	31 Å²	31	56.1 Å²	56.1	17%	0.166	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.7	167.1	59.7	94.2	0	0	0	110.6	V128 F129 R147 P148	N84-V128 CarbonylContact C-O 3.56Å; N84-V128 WeakPolarHBondContact CA-O 3.49Å; N84-V128 WeakPolarHBondContact CB-O 3.33Å; N84-F129 HydrophobicContact CB-CD2 4.01Å; N84-R147 VanDerWaalsContact CG-NH1 3.3Å; N84-R147 WeakPolarHBondContact OD1-CD 3.46Å; N84-R147 WeakPolarHBondContact OD1-CG 3.5Å; N84-R147 PolarHBondContact OD1-NH1 3.13Å; N84-P148 WeakPolarHBondContact O-CB 3.47Å; N84-P148 WeakPolarHBondContact O-CD 3.24Å; N84-P148 WeakPolarHBondContact O-CG 3.28Å
85	A	98.5	Very high	86	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.5	176.7	0	0	0	0	0	111.8	M79 A127 V128 P148 I150	M79-A85 HydrophobicContact SD-CB 3.87Å; A85-A127 CarbonylContact O-C 3.53Å; A85-A127 WeakPolarHBondContact O-CA 3.18Å; A85-A127 WeakPolarHBondContact O-CB 3.48Å; A85-V128 HydrophobicContact CB-CG1 4.34Å; A85-V128 PolarHBondContact N-O 2.91Å; A85-V128 PolarHBondContact O-N 3.36Å; A85-P148 CarbonylContact C-O 3.11Å; A85-P148 WeakPolarHBondContact CA-O 2.94Å; A85-P148 HydrophobicContact CB-CB 4.45Å; A85-I150 HydrophobicContact CB-CD1 3.95Å; A85-I150 HydrophobicContact CB-CG1 3.68Å
86	W	98.4	Very high	83.9	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	140.1	168.9	-68.6	130	0	0	0	111.2	K47 H49 L63 C125 A127 P142 N145 R147 P148 F149 I150	K47-W86 VanDerWaalsContact O-CD1 3.3Å; K47-W86 PolarHBondContact O-NE1 3.37Å; H49-W86 HydrophobicContact CB-CD2 4.21Å; H49-W86 HydrophobicContact CB-CG 4.47Å; H49-W86 AromaticContact CD2-CE3 4Å; L63-W86 HydrophobicContact CD1-CB 4.3Å; L63-W86 HydrophobicContact CD2-CB 4.33Å; W86-C125 HydrophobicContact CE3-CB 4.25Å; W86-C125 HydrophobicContact CH2-CB 4.27Å; W86-C125 HydrophobicContact CZ3-CB 3.85Å; W86-C125 WeakPolarHBondContact CZ3-O 3.3Å; W86-A127 HydrophobicContact CE3-CB 3.69Å; W86-A127 HydrophobicContact CZ3-CB 3.81Å; W86-P142 WeakPolarHBondContact CH2-O 3.29Å; W86-N145 HydrophobicContact CZ2-CB 4.15Å; W86-N145 WeakPolarHBondContact CZ2-O 3.45Å; W86-N145 PolarHBondContact NE1-O 2.99Å; W86-N145 VanDerWaalsContact NE1-O 3.15Å; W86-R147 HydrophobicContact CD2-CB 4.24Å; W86-R147 HydrophobicContact CD2-CG 4.23Å; W86-R147 HydrophobicContact CG-CB 4.15Å; W86-R147 HydrophobicContact CZ2-CG 3.84Å; W86-P148 PolarHBondContact N-O 3.3Å; W86-F149 HydrophobicContact CB-CB 3.88Å; W86-I150 PolarHBondContact O-N 2.95Å
87	I	97.4	Very high	81.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	165	169.9	57.8	170.8	0	0	0	108.9	H49 L63 F64 P66 L89 A126 V128 V138 I150	H49-I87 PolarHBondContact NE2-O 2.76Å; L63-I87 VanDerWaalsContact CD2-C 3.45Å; L63-I87 WeakPolarHBondContact CD2-O 3.24Å; F64-I87 HydrophobicContact CB-CG2 4.49Å; F64-I87 HydrophobicContact CD1-CG2 3.66Å; F64-I87 HydrophobicContact CE1-CG2 4.35Å; F64-I87 HydrophobicContact CG-CG2 4.42Å; F64-I87 CarbonylContact O-C 3.48Å; F64-I87 VanDerWaalsContact O-CA 3.31Å; F64-I87 WeakPolarHBondContact O-CA 3.29Å; F64-I87 WeakPolarHBondContact O-CB 3.34Å; P66-I87 HydrophobicContact CG-CD1 3.96Å; I87-L89 HydrophobicContact CD1-CD1 3.74Å; I87-L89 HydrophobicContact CD1-CG 4.32Å; I87-L89 HydrophobicContact CG1-CD1 4.37Å; I87-L89 HydrophobicContact CG1-CG 4.48Å; I87-L89 PolarHBondContact O-N 3.5Å; I87-A126 HydrophobicContact CD1-CB 4.49Å; I87-A126 HydrophobicContact CG1-CB 4.21Å; I87-A126 WeakPolarHBondContact CG1-O 3.18Å; I87-A126 PolarHBondContact N-O 2.91Å; I87-A126 VanDerWaalsContact N-O 3.17Å; I87-V128 HydrophobicContact CG2-CB 4.43Å; I87-V128 HydrophobicContact CG2-CG1 3.99Å; I87-V138 HydrophobicContact CD1-CG1 4Å; I87-V138 HydrophobicContact CD1-CG2 4.12Å; I87-I150 HydrophobicContact CG2-CD1 4.49Å
88	N	95	Very high	79.7	Confident	49 Å²	49	74.4 Å²	74.4	26%	0.262	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	58.6	-172	-163	3.3	0	0	0	113	Q53 D62 L63 F64 L65	Q53-N88 PolarHBondContact OE1-OD1 2.94Å; D62-N88 PolarHBondContact OD1-ND2 2.93Å; L63-N88 HydrophobicContact CB-CB 3.84Å; L63-N88 HydrophobicContact CD2-CB 4.25Å; L63-N88 HydrophobicContact CG-CB 4.13Å; L63-N88 WeakPolarHBondContact O-CB 3.39Å; L63-N88 PolarHBondContact O-ND2 3.02Å; F64-N88 PolarHBondContact O-N 3.33Å; L65-N88 HydrophobicContact CB-CB 4.16Å
89	L	90.7	Very high	78	Confident	13 Å²	13	74.3 Å²	74.3	7%	0.068	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.6	176.5	-68.5	179.1	0	0	0	109.5	L65 I87 V105 L108 F110 C125 A126 V138 W140	L65-L89 HydrophobicContact CD1-CD2 3.42Å; L65-L89 VanDerWaalsContact CD1-CD2 3.42Å; L65-L89 HydrophobicContact CD1-CG 4.04Å; I87-L89 HydrophobicContact CD1-CD1 3.74Å; I87-L89 HydrophobicContact CD1-CG 4.32Å; I87-L89 HydrophobicContact CG1-CD1 4.37Å; I87-L89 HydrophobicContact CG1-CG 4.48Å; I87-L89 PolarHBondContact O-N 3.5Å; L89-V105 HydrophobicContact CD1-CG1 4.06Å; L89-V105 HydrophobicContact CD2-CB 4.19Å; L89-V105 HydrophobicContact CD2-CG1 3.53Å; L89-V105 HydrophobicContact CD2-CG2 3.5Å; L89-V105 VanDerWaalsContact CD2-CG2 3.5Å; L89-V105 HydrophobicContact CG-CG1 4.44Å; L89-L108 HydrophobicContact CD1-CD1 3.71Å; L89-F110 HydrophobicContact CD1-CE1 4.14Å; L89-F110 HydrophobicContact CD1-CZ 4.09Å; L89-C125 CarbonylContact O-C 3.52Å; L89-C125 WeakPolarHBondContact O-CA 3.41Å; L89-A126 HydrophobicContact CB-CB 3.48Å; L89-A126 VanDerWaalsContact CB-CB 3.48Å; L89-A126 HydrophobicContact CD1-CB 4.21Å; L89-A126 HydrophobicContact CG-CB 4.46Å; L89-A126 PolarHBondContact O-N 2.91Å; L89-V138 HydrophobicContact CD1-CG1 4.44Å; L89-W140 HydrophobicContact CB-CH2 4.22Å; L89-W140 HydrophobicContact CB-CZ3 4.46Å
90	R	86.7	Confident	76.3	Confident	103 Å²	103	79.5 Å²	79.5	39%	0.389	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	175.6	178	176.2	-71.1	-118.1	-1.7	107.9	H49 E92 V123	H49-R90 PolarHBondContact ND1-NH2 3.48Å; R90-E92 HydrophobicContact CG-CG 4.15Å; R90-E92 PolarHBondContact O-N 2.97Å; R90-V123 HydrophobicContact CG-CG1 3.51Å
91	N	79.2	Confident	74.6	Confident	82 Å²	82	80.3 Å²	80.3	44%	0.439	44%	0.437	S	S	.	.			trans	-81	94.5	168.3	-173.4	35.1	0	0	0	107.7	K124 W140	N91-K124 PolarHBondContact N-O 2.82Å; N91-W140 HydrophobicContact CB-CE3 4.28Å; N91-W140 HydrophobicContact CB-CH2 4.2Å; N91-W140 HydrophobicContact CB-CZ3 3.99Å
92	E	65.4	Low	73.1	Confident	136 Å²	136	75.3 Å²	75.3	64%	0.636	42%	0.418	S	S	*	.			trans	-82.1	144.7	161.7	-63.9	-175.1	173.4	0	0	107.8	R90 S94	R90-E92 HydrophobicContact CG-CG 4.15Å; R90-E92 PolarHBondContact O-N 2.97Å; E92-S94 PolarHBondContact O-N 3.27Å
93	D	56.7	Low	71.7	Confident	115 Å²	115	75.3 Å²	75.3	62%	0.615	42%	0.423	S	S	*	.			trans	-59.2	95.8	-178.6	-70.5	-56.4	0	0	0	111.2	N95	D93-N95 PolarHBondContact O-N 3.17Å
94	S	49.2	Very low	70.6	Confident	119 Å²	119	76.7 Å²	76.7	83%	0.832	43%	0.429	S	S	*	.	S	Bend	trans	39.9	11.1	156.6	72.7	0	0	0	0	123.7	E92	E92-S94 PolarHBondContact O-N 3.27Å
95	N	51.3	Low	69.6	Low	156 Å²	156	76.2 Å²	76.2	83%	0.834	43%	0.427	S	S	*	.			trans	-124.9	24.2	-172	-128.5	19.9	0	0	0	118.4	D93	D93-N95 PolarHBondContact O-N 3.17Å
96	S	51.3	Low	68.7	Low	96 Å²	96	83.1 Å²	83.1	67%	0.671	46%	0.458	S	S	*	.			trans	-95.8	129.5	177.5	-176.4	0	0	0	0	112.9
97	T	47	Very low	67.8	Low	142 Å²	142	86.5 Å²	86.5	87%	0.871	48%	0.481	S	S	*	.			trans	-92.3	17.7	-169.3	43.7	0	0	0	0	115.3	D99	T97-D99 PolarHBondContact O-N 3.17Å; T97-D99 VanDerWaalsContact O-N 3.11Å
98	N	54.9	Low	67.3	Low	97 Å²	97	86.8 Å²	86.8	52%	0.519	48%	0.483	S	S	.	.			trans	-87.3	79.4	178.3	-133.9	-4.6	0	0	0	110.7	T100 T102	N98-T100 VanDerWaalsContact C-N 3.33Å; N98-T100 PolarHBondContact O-N 3.33Å; N98-T102 WeakPolarHBondContact O-CB 3.14Å; N98-T102 PolarHBondContact O-N 2.93Å; N98-T102 PolarHBondContact O-OG1 2.94Å
99	D	57	Low	66.8	Low	110 Å²	110	86.7 Å²	86.7	59%	0.588	49%	0.485	S	S	*	.	H	α-helix	trans	-64.1	-34.4	-163.9	-146.9	23.1	0	0	0	112.7	T97 T102 V103	T97-D99 PolarHBondContact O-N 3.17Å; T97-D99 VanDerWaalsContact O-N 3.11Å; D99-T102 CarbonylContact O-C 3.58Å; D99-T102 WeakPolarHBondContact O-CB 3.39Å; D99-T102 PolarHBondContact O-N 3.15Å; D99-V103 VanDerWaalsContact O-CG2 3.25Å; D99-V103 WeakPolarHBondContact O-CG2 3.31Å; D99-V103 PolarHBondContact O-N 3.02Å
100	T	57.5	Low	66.5	Low	112 Å²	112	88.9 Å²	88.9	69%	0.687	49%	0.494	S	S	*	.	H	α-helix	trans	-65.4	-52.1	-177.9	-44.6	0	0	0	0	113.2	N98 T102 V103 T104	N98-T100 VanDerWaalsContact C-N 3.33Å; N98-T100 PolarHBondContact O-N 3.33Å; T100-T102 PolarHBondContact O-N 3.49Å; T100-V103 PolarHBondContact O-N 2.71Å; T100-T104 PolarHBondContact O-N 2.86Å
101	I	58.7	Low	65.9	Low	83 Å²	83	90.5 Å²	90.5	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-60.3	-40.7	175.4	-65	173.6	0	0	0	109	L65 V103 T104 V105	L65-I101 HydrophobicContact CD2-CG2 3.97Å; I101-V103 PolarHBondContact O-N 2.75Å; I101-T104 PolarHBondContact O-N 3.22Å; I101-V105 HydrophobicContact CG2-CG2 4.03Å; I101-V105 VanDerWaalsContact O-CB 3.3Å; I101-V105 WeakPolarHBondContact O-CB 3.42Å; I101-V105 WeakPolarHBondContact O-CG2 3.36Å; I101-V105 PolarHBondContact O-N 2.66Å
102	T	59.2	Low	64.9	Low	41 Å²	41	90.8 Å²	90.8	25%	0.252	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-41.6	179.7	-57	0	0	0	0	112.6	N98 D99 T100 V105 K106	N98-T102 WeakPolarHBondContact O-CB 3.14Å; N98-T102 PolarHBondContact O-N 2.93Å; N98-T102 PolarHBondContact O-OG1 2.94Å; D99-T102 CarbonylContact O-C 3.58Å; D99-T102 WeakPolarHBondContact O-CB 3.39Å; D99-T102 PolarHBondContact O-N 3.15Å; T100-T102 PolarHBondContact O-N 3.49Å; T102-V105 PolarHBondContact O-N 2.91Å; T102-K106 HydrophobicContact CG2-CD 3.98Å; T102-K106 VanDerWaalsContact CG2-CE 3.46Å; T102-K106 HydrophobicContact CG2-CG 4.34Å; T102-K106 VanDerWaalsContact O-CB 3.31Å; T102-K106 WeakPolarHBondContact O-CB 3.3Å; T102-K106 WeakPolarHBondContact O-CG 3.22Å; T102-K106 PolarHBondContact O-N 3.08Å
103	V	61.6	Low	64	Low	86 Å²	86	95.9 Å²	95.9	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-50.3	177.4	169.1	0	0	0	0	110.9	D99 T100 I101 V105 K106 S107	D99-V103 VanDerWaalsContact O-CG2 3.25Å; D99-V103 WeakPolarHBondContact O-CG2 3.31Å; D99-V103 PolarHBondContact O-N 3.02Å; T100-V103 PolarHBondContact O-N 2.71Å; I101-V103 PolarHBondContact O-N 2.75Å; V103-V105 VanDerWaalsContact C-N 3.32Å; V103-V105 PolarHBondContact O-N 3.31Å; V103-K106 PolarHBondContact O-N 3.41Å; V103-S107 PolarHBondContact O-N 3.13Å; V103-S107 VanDerWaalsContact O-N 3.13Å
104	T	71.3	Confident	63.6	Low	39 Å²	39	94 Å²	94	24%	0.239	53%	0.529	C	S	.	.	H	α-helix	trans	-57.5	-47.9	176.6	-69.5	0	0	0	0	111	P66 S67 T100 I101 K106 S107	P66-T104 WeakPolarHBondContact O-CG2 3.19Å; S67-T104 WeakPolarHBondContact O-CG2 3.31Å; T100-T104 PolarHBondContact O-N 2.86Å; I101-T104 PolarHBondContact O-N 3.22Å; T104-K106 PolarHBondContact O-N 2.6Å; T104-S107 PolarHBondContact O-N 2.98Å; T104-S107 VanDerWaalsContact O-N 3.17Å; T104-S107 PolarHBondContact O-OG 3.39Å
105	V	75.7	Confident	63.5	Low	21 Å²	21	91.2 Å²	91.2	13%	0.127	51%	0.513	C	S	.	.	H	α-helix	trans	-61.3	-48.5	179.4	170.1	0	0	0	0	110.9	L65 L89 I101 T102 V103 S107 L108 F110	L65-V105 HydrophobicContact CD1-CG2 3.93Å; L89-V105 HydrophobicContact CD1-CG1 4.06Å; L89-V105 HydrophobicContact CD2-CB 4.19Å; L89-V105 HydrophobicContact CD2-CG1 3.53Å; L89-V105 HydrophobicContact CD2-CG2 3.5Å; L89-V105 VanDerWaalsContact CD2-CG2 3.5Å; L89-V105 HydrophobicContact CG-CG1 4.44Å; I101-V105 HydrophobicContact CG2-CG2 4.03Å; I101-V105 VanDerWaalsContact O-CB 3.3Å; I101-V105 WeakPolarHBondContact O-CB 3.42Å; I101-V105 WeakPolarHBondContact O-CG2 3.36Å; I101-V105 PolarHBondContact O-N 2.66Å; T102-V105 PolarHBondContact O-N 2.91Å; V103-V105 VanDerWaalsContact C-N 3.32Å; V103-V105 PolarHBondContact O-N 3.31Å; V105-S107 PolarHBondContact O-N 2.85Å; V105-S107 VanDerWaalsContact O-N 3.13Å; V105-L108 VanDerWaalsContact O-CB 3.24Å; V105-L108 WeakPolarHBondContact O-CB 3.25Å; V105-L108 VanDerWaalsContact O-CG 3.31Å; V105-L108 WeakPolarHBondContact O-CG 3.37Å; V105-L108 PolarHBondContact O-N 3.5Å; V105-F110 HydrophobicContact CG1-CE2 4.17Å; V105-F110 HydrophobicContact CG1-CZ 3.69Å; V105-F110 WeakPolarHBondContact O-CE2 3.39Å; V105-F110 WeakPolarHBondContact O-CZ 3.09Å
106	K	77.7	Confident	63.4	Low	146 Å²	146	93.7 Å²	93.7	64%	0.635	52%	0.517	S	S	*	.	H	α-helix	trans	-56.6	-27.5	177.4	-79.2	172.3	180	167.2	0	113.3	T102 V103 T104 L108	T102-K106 HydrophobicContact CG2-CD 3.98Å; T102-K106 VanDerWaalsContact CG2-CE 3.46Å; T102-K106 HydrophobicContact CG2-CG 4.34Å; T102-K106 VanDerWaalsContact O-CB 3.31Å; T102-K106 WeakPolarHBondContact O-CB 3.3Å; T102-K106 WeakPolarHBondContact O-CG 3.22Å; T102-K106 PolarHBondContact O-N 3.08Å; V103-K106 PolarHBondContact O-N 3.41Å; T104-K106 PolarHBondContact O-N 2.6Å; K106-L108 VanDerWaalsContact C-N 3.3Å
107	S	81.2	Confident	63.4	Low	70 Å²	70	92.2 Å²	92.2	49%	0.49	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.6	177.2	74.9	0	0	0	0	114.4	V69 V103 T104 V105	V69-S107 WeakPolarHBondContact CG2-O 3.36Å; V103-S107 PolarHBondContact O-N 3.13Å; V103-S107 VanDerWaalsContact O-N 3.13Å; T104-S107 PolarHBondContact O-N 2.98Å; T104-S107 VanDerWaalsContact O-N 3.17Å; T104-S107 PolarHBondContact O-OG 3.39Å; V105-S107 PolarHBondContact O-N 2.85Å; V105-S107 VanDerWaalsContact O-N 3.13Å
108	L	86.2	Confident	63.6	Low	7 Å²	7	98 Å²	98	4%	0.037	52%	0.516	C	S	.	.	S	Bend	trans	-68.3	151	178.3	-62.4	173.6	0	0	0	112.1	P66 V69 L72 L89 V105 K106 F110 V138	P66-L108 HydrophobicContact CB-CD1 4.13Å; P66-L108 HydrophobicContact CB-CD2 3.89Å; P66-L108 HydrophobicContact CG-CD1 4.1Å; V69-L108 HydrophobicContact CG2-CD2 4.43Å; L72-L108 HydrophobicContact CB-CD2 4.29Å; L72-L108 HydrophobicContact CD2-CD2 4.21Å; L89-L108 HydrophobicContact CD1-CD1 3.71Å; V105-L108 VanDerWaalsContact O-CB 3.24Å; V105-L108 WeakPolarHBondContact O-CB 3.25Å; V105-L108 VanDerWaalsContact O-CG 3.31Å; V105-L108 WeakPolarHBondContact O-CG 3.37Å; V105-L108 PolarHBondContact O-N 3.5Å; K106-L108 VanDerWaalsContact C-N 3.3Å; L108-F110 HydrophobicContact CB-CD2 4.37Å; L108-F110 HydrophobicContact CB-CE2 4.07Å; L108-F110 HydrophobicContact CB-CZ 4.24Å; L108-F110 HydrophobicContact CD1-CZ 4.47Å; L108-F110 VanDerWaalsContact O-CD2 3.28Å; L108-F110 WeakPolarHBondContact O-CD2 3.49Å; L108-F110 PolarHBondContact O-N 3.48Å; L108-V138 HydrophobicContact CB-CG2 4.27Å
109	P	84.2	Confident	63.5	Low	47 Å²	47	95.7 Å²	95.7	31%	0.305	52%	0.516	S	S	.	.			trans	-74.6	70.8	-176.8	31	-36.6	0	0	0	112.1	L72 R136 S137 V138	L72-P109 HydrophobicContact CD2-CG 3.93Å; P109-R136 WeakPolarHBondContact CG-O 3.28Å; P109-S137 CarbonylContact O-C 3.59Å; P109-S137 WeakPolarHBondContact O-CA 3.41Å; P109-V138 PolarHBondContact O-N 2.8Å
110	F	84.1	Confident	63.5	Low	58 Å²	58	99.9 Å²	99.9	25%	0.254	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.9	-179.7	-70	-72	0	0	0	112.8	L89 V105 L108 V138 W140	L89-F110 HydrophobicContact CD1-CE1 4.14Å; L89-F110 HydrophobicContact CD1-CZ 4.09Å; V105-F110 HydrophobicContact CG1-CE2 4.17Å; V105-F110 HydrophobicContact CG1-CZ 3.69Å; V105-F110 WeakPolarHBondContact O-CE2 3.39Å; V105-F110 WeakPolarHBondContact O-CZ 3.09Å; L108-F110 HydrophobicContact CB-CD2 4.37Å; L108-F110 HydrophobicContact CB-CE2 4.07Å; L108-F110 HydrophobicContact CB-CZ 4.24Å; L108-F110 HydrophobicContact CD1-CZ 4.47Å; L108-F110 VanDerWaalsContact O-CD2 3.28Å; L108-F110 WeakPolarHBondContact O-CD2 3.49Å; L108-F110 PolarHBondContact O-N 3.48Å; F110-V138 CarbonylContact C-O 3.5Å; F110-V138 WeakPolarHBondContact CA-O 3.14Å; F110-V138 HydrophobicContact CD1-CB 3.67Å; F110-V138 HydrophobicContact CD1-CG1 3.51Å; F110-V138 HydrophobicContact CE1-CB 3.96Å; F110-V138 HydrophobicContact CE1-CG1 3.42Å; F110-V138 VanDerWaalsContact CE1-CG1 3.42Å; F110-V138 HydrophobicContact CG-CB 4.46Å; F110-W140 AromaticContact CD1-CE2 3.94Å; F110-W140 HydrophobicContact CD1-CZ2 4.05Å; F110-W140 AromaticContact CD1-NE1 3.61Å; F110-W140 AromaticContact CE1-CE2 3.85Å; F110-W140 HydrophobicContact CE1-CH2 4.29Å; F110-W140 AromaticContact CE1-CZ2 3.5Å; F110-W140 HydrophobicContact CE1-CZ2 3.5Å; F110-W140 VanDerWaalsContact CE1-CZ2 3.5Å; F110-W140 AromaticContact CE1-NE1 4Å; F110-W140 AromaticContact CZ-CZ2 4Å; F110-W140 HydrophobicContact CZ-CZ2 4Å
111	R	74	Confident	63.8	Low	138 Å²	138	104 Å²	104	52%	0.521	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	94.5	168.1	-170.1	175	-179.3	170.2	0.5	109.6	V138 Q139	R111-V138 PolarHBondContact N-O 3.03Å; R111-Q139 HydrophobicContact CB-CG 4.26Å
112	S	58.6	Low	64.4	Low	87 Å²	87	103.8 Å²	103.8	61%	0.608	54%	0.543	S	S	*	.			trans	-86.1	-20.2	175.1	-56.3	0	0	0	0	113.5	G114	S112-G114 VanDerWaalsContact C-N 3.34Å; S112-G114 PolarHBondContact O-N 3.26Å; S112-G114 VanDerWaalsContact O-N 3.13Å
113	R	47.2	Very low	65.5	Low	244 Å²	244	105 Å²	105	92%	0.921	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	4.3	-156.4	-75.3	-172.1	175.9	109.1	-0.7	117.5
114	G	48.3	Very low	66.8	Low	74 Å²	74	103.7 Å²	103.7	76%	0.763	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-22.7	-171.8	0	0	0	0	0	116.7	S112	S112-G114 VanDerWaalsContact C-N 3.34Å; S112-G114 PolarHBondContact O-N 3.26Å; S112-G114 VanDerWaalsContact O-N 3.13Å
115	A	46.2	Very low	67.8	Low	62 Å²	62	101.9 Å²	101.9	51%	0.512	53%	0.526	S	S	.	.			trans	-133.5	98.7	-176.9	0	0	0	0	0	109.2	A117	A115-A117 HydrophobicContact CB-CB 4.49Å; A115-A117 PolarHBondContact O-N 3.44Å
116	K	48.8	Very low	68.7	Low	208 Å²	208	100.9 Å²	100.9	90%	0.904	52%	0.52	S	S	*	.			trans	-57.7	77.8	150.5	-65.8	178.7	179.9	179	0	106.7	R118	K116-R118 PolarHBondContact O-N 2.9Å
117	A	52.3	Low	69.5	Low	64 Å²	64	94 Å²	94	53%	0.529	49%	0.491	S	S	.	.			trans	-75.1	96.3	-174.5	0	0	0	0	0	107.3	A115 G119	A115-A117 HydrophobicContact CB-CB 4.49Å; A115-A117 PolarHBondContact O-N 3.44Å; A117-G119 PolarHBondContact O-N 3.41Å
118	R	50.1	Low	70.2	Confident	263 Å²	263	90.7 Å²	90.7	99%	0.992	47%	0.467	S	S	*	.			trans	-64.6	18.7	158.8	-66.8	-175.4	-173.2	141.4	-1.8	112.3	K116	K116-R118 PolarHBondContact O-N 2.9Å
119	G	54.6	Low	70.7	Confident	50 Å²	50	92.3 Å²	92.3	52%	0.515	47%	0.474	S	S	.	.	S	Bend	trans	-117.7	146	-177.1	0	0	0	0	0	110	A117 K121	A117-G119 PolarHBondContact O-N 3.41Å; G119-K121 PolarHBondContact O-N 3.41Å
120	K	56.7	Low	71.2	Confident	198 Å²	198	92 Å²	92	86%	0.861	47%	0.467	S	S	*	.			trans	-33.3	133.2	177.9	-82	176	173.8	177.1	0	111.9	S122	K120-S122 VanDerWaalsContact C-N 3.33Å; K120-S122 PolarHBondContact O-N 3.17Å; K120-S122 PolarHBondContact O-OG 2.61Å
121	K	62.6	Low	71.3	Confident	197 Å²	197	92.4 Å²	92.4	86%	0.857	47%	0.47	S	S	*	.			trans	-50.5	101.8	166.4	-68.7	-178.5	-179.2	179.6	0	107.2	G119	G119-K121 PolarHBondContact O-N 3.41Å
122	S	71.4	Confident	71.9	Confident	80 Å²	80	86.4 Å²	86.4	56%	0.559	45%	0.451	S	S	*	.			trans	-110.3	141.7	177.4	41.7	0	0	0	0	107	K120 K124	K120-S122 VanDerWaalsContact C-N 3.33Å; K120-S122 PolarHBondContact O-N 3.17Å; K120-S122 PolarHBondContact O-OG 2.61Å; S122-K124 PolarHBondContact O-N 3.49Å
123	V	83.1	Confident	73.1	Confident	66 Å²	66	89.7 Å²	89.7	40%	0.4	46%	0.457	S	S	.	.			trans	-56.6	125.7	176.5	176.9	0	0	0	0	108.9	R90	R90-V123 HydrophobicContact CG-CG1 3.51Å
124	K	88.7	Confident	74.8	Confident	59 Å²	59	84.7 Å²	84.7	26%	0.257	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.1	176.4	-67.8	-175.2	-176.1	179.4	0	109.7	N91 S122 W140 S141	N91-K124 PolarHBondContact N-O 2.82Å; S122-K124 PolarHBondContact O-N 3.49Å; K124-W140 HydrophobicContact CB-CB 4.04Å; K124-W140 HydrophobicContact CB-CE3 4.11Å; K124-W140 HydrophobicContact CD-CB 3.84Å; K124-S141 WeakPolarHBondContact CA-O 3.13Å
125	C	92.5	Very high	76.8	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.4	176.6	-64.2	0	0	0	0	108.6	H49 W86 L89 S141 C143	H49-C125 HydrophobicContact CB-CB 3.86Å; H49-C125 PolarHBondContact ND1-SG 2.03Å; W86-C125 HydrophobicContact CE3-CB 4.25Å; W86-C125 HydrophobicContact CH2-CB 4.27Å; W86-C125 HydrophobicContact CZ3-CB 3.85Å; W86-C125 WeakPolarHBondContact CZ3-O 3.3Å; L89-C125 CarbonylContact O-C 3.52Å; L89-C125 WeakPolarHBondContact O-CA 3.41Å; C125-S141 PolarHBondContact N-O 3.25Å; C125-S141 PolarHBondContact O-N 3.29Å; C125-C143 HydrophobicContact CB-CB 3.92Å; C125-C143 WeakPolarHBondContact CB-SG 3.47Å; C125-C143 PolarHBondContact N-SG 2.76Å; C125-C143 WeakPolarHBondContact SG-CB 3.41Å; C125-C143 CovalentContact SG-SG 2.04Å; C125-C143 PolarHBondContact SG-SG 2.71Å
126	A	93.8	Very high	79	Confident	0 Å²	0	84 Å²	84	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.3	-175.2	0	0	0	0	0	111	I87 L89 V138 Q139 W140	I87-A126 HydrophobicContact CD1-CB 4.49Å; I87-A126 HydrophobicContact CG1-CB 4.21Å; I87-A126 WeakPolarHBondContact CG1-O 3.18Å; I87-A126 PolarHBondContact N-O 2.91Å; I87-A126 VanDerWaalsContact N-O 3.17Å; L89-A126 HydrophobicContact CB-CB 3.48Å; L89-A126 VanDerWaalsContact CB-CB 3.48Å; L89-A126 HydrophobicContact CD1-CB 4.21Å; L89-A126 HydrophobicContact CG-CB 4.46Å; L89-A126 PolarHBondContact O-N 2.91Å; A126-V138 HydrophobicContact CB-CG1 3.51Å; A126-Q139 WeakPolarHBondContact CA-O 3.45Å; A126-W140 HydrophobicContact CB-CD2 4.42Å; A126-W140 HydrophobicContact CB-CE3 3.87Å; A126-W140 HydrophobicContact CB-CH2 4.1Å; A126-W140 HydrophobicContact CB-CZ3 3.69Å
127	A	95.1	Very high	81	Confident	2 Å²	2	74.5 Å²	74.5	2%	0.017	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	168.3	0	0	0	0	0	109.2	A85 W86 Q139	A85-A127 CarbonylContact O-C 3.53Å; A85-A127 WeakPolarHBondContact O-CA 3.18Å; A85-A127 WeakPolarHBondContact O-CB 3.48Å; W86-A127 HydrophobicContact CE3-CB 3.69Å; W86-A127 HydrophobicContact CZ3-CB 3.81Å; A127-Q139 PolarHBondContact N-O 2.94Å; A127-Q139 PolarHBondContact O-N 3.44Å
128	V	96.1	Very high	82.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145	166.5	62	0	0	0	0	109.6	L72 T76 M79 N84 A85 I87 R136 S137 I150	L72-V128 HydrophobicContact CD1-CB 4.11Å; L72-V128 HydrophobicContact CD1-CG2 3.81Å; L72-V128 HydrophobicContact CD2-CG2 4.47Å; L72-V128 HydrophobicContact CG-CG2 4.32Å; T76-V128 HydrophobicContact CG2-CB 4.37Å; T76-V128 HydrophobicContact CG2-CG1 3.71Å; T76-V128 HydrophobicContact CG2-CG2 3.93Å; M79-V128 HydrophobicContact CE-CG1 3.95Å; M79-V128 HydrophobicContact CE-CG2 4.36Å; M79-V128 HydrophobicContact SD-CG1 3.88Å; N84-V128 CarbonylContact C-O 3.56Å; N84-V128 WeakPolarHBondContact CA-O 3.49Å; N84-V128 WeakPolarHBondContact CB-O 3.33Å; A85-V128 HydrophobicContact CB-CG1 4.34Å; A85-V128 PolarHBondContact N-O 2.91Å; A85-V128 PolarHBondContact O-N 3.36Å; I87-V128 HydrophobicContact CG2-CB 4.43Å; I87-V128 HydrophobicContact CG2-CG1 3.99Å; V128-R136 HydrophobicContact CG2-CB 4.4Å; V128-S137 CarbonylContact C-O 3.57Å; V128-S137 WeakPolarHBondContact CA-O 3.38Å; V128-I150 HydrophobicContact CG1-CD1 4.14Å
129	F	95.3	Very high	84.9	Confident	41 Å²	41	61.4 Å²	61.4	18%	0.18	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.6	174.7	-175.4	-126.9	0	0	0	109.5	M82 G83 N84 Q131 R136 S137 Q139	M82-F129 HydrophobicContact CB-CE2 4.42Å; M82-F129 HydrophobicContact CB-CZ 4.48Å; M82-F129 VanDerWaalsContact O-CE2 3.29Å; M82-F129 WeakPolarHBondContact O-CE2 3.2Å; M82-F129 HydrophobicContact SD-CE1 4.13Å; M82-F129 HydrophobicContact SD-CE2 4.3Å; M82-F129 HydrophobicContact SD-CZ 3.5Å; M82-F129 WeakPolarHBondContact SD-CZ 3.43Å; G83-F129 WeakPolarHBondContact O-CA 3.31Å; G83-F129 VanDerWaalsContact O-CD2 3.26Å; G83-F129 WeakPolarHBondContact O-CD2 3.17Å; N84-F129 HydrophobicContact CB-CD2 4.01Å; F129-Q131 HydrophobicContact CD1-CG 3.24Å; F129-Q131 HydrophobicContact CE1-CG 3.24Å; F129-Q131 HydrophobicContact CG-CG 4.32Å; F129-Q131 HydrophobicContact CZ-CG 4.31Å; F129-R136 WeakPolarHBondContact O-CA 3.47Å; F129-S137 PolarHBondContact N-O 3.15Å; F129-S137 PolarHBondContact O-N 3.18Å; F129-Q139 VanDerWaalsContact CD1-NE2 3.3Å
130	R	94.8	Very high	86.6	Confident	41 Å²	41	62 Å²	62	16%	0.155	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	104.4	174.4	180	176.6	-171.1	177.3	10.2	109.1	D77 M79 M82 G83 G132 R136	D77-R130 PolarHBondContact O-NH1 3.27Å; M79-R130 HydrophobicContact CE-CB 3.47Å; M79-R130 VanDerWaalsContact CE-CB 3.47Å; M79-R130 WeakPolarHBondContact O-CD 3.41Å; M79-R130 PolarHBondContact O-NH1 3.09Å; M82-R130 WeakPolarHBondContact CA-O 3.48Å; M82-R130 PolarHBondContact N-O 3.49Å; G83-R130 PolarHBondContact O-N 3.32Å; R130-G132 VanDerWaalsContact CG-O 3.25Å; R130-G132 WeakPolarHBondContact CG-O 3.12Å; R130-G132 PolarHBondContact NE-O 2.84Å; R130-R136 VanDerWaalsContact NE-NH2 3.19Å
131	Q	88.1	Confident	88.2	Confident	67 Å²	67	53.1 Å²	53.1	31%	0.313	26%	0.263	S	S	.	.			trans	-88	-8.3	178.5	-75.2	175.9	78.2	0	0	113.4	F81 M82 F129 N135 S137	F81-Q131 WeakPolarHBondContact CE2-O 3.02Å; M82-Q131 VanDerWaalsContact CE-CA 3.47Å; M82-Q131 HydrophobicContact CE-CB 4.19Å; M82-Q131 HydrophobicContact CE-CG 4.48Å; M82-Q131 WeakPolarHBondContact CE-O 3.43Å; F129-Q131 HydrophobicContact CD1-CG 3.24Å; F129-Q131 HydrophobicContact CE1-CG 3.24Å; F129-Q131 HydrophobicContact CG-CG 4.32Å; F129-Q131 HydrophobicContact CZ-CG 4.31Å; Q131-N135 HydrophobicContact CB-CB 3.88Å; Q131-N135 PolarHBondContact N-O 2.93Å; Q131-S137 PolarHBondContact NE2-OG 2.89Å
132	G	86.3	Confident	89.6	Confident	12 Å²	12	46.9 Å²	46.9	12%	0.124	24%	0.242	C	C	.	.	S	Bend	trans	173.2	-166.3	-178.6	0	0	0	0	0	110.9	R130 R136	R130-G132 VanDerWaalsContact CG-O 3.25Å; R130-G132 WeakPolarHBondContact CG-O 3.12Å; R130-G132 PolarHBondContact NE-O 2.84Å; G132-R136 PolarHBondContact O-NH1 2.87Å; G132-R136 PolarHBondContact O-NH2 3.46Å
133	E	84	Confident	90.6	Very high	156 Å²	156	43.9 Å²	43.9	73%	0.729	22%	0.221	S	C	*	.	S	Bend	trans	-65.2	-41.3	-179.4	-173.2	168.1	-163.2	0	0	112.6	R136	E133-R136 VanDerWaalsContact C-NH1 3.27Å; E133-R136 PolarHBondContact O-NH1 2.66Å; E133-R136 PolarHBondContact O-NH2 2.04Å
134	M	82.9	Confident	91.2	Very high	139 Å²	139	47.3 Å²	47.3	69%	0.685	24%	0.236	S	C	*	.	S	Bend	trans	-109.3	-8.5	179.6	-61.6	-59.9	-79.5	0	0	113.5	H73	H73-M134 PolarHBondContact CE1-O 3.37Å
135	N	88.9	Confident	91.6	Very high	106 Å²	106	47.3 Å²	47.3	57%	0.567	24%	0.239	S	C	*	.			trans	-99.8	103.6	-171.4	-68.6	-21	0	0	0	112.2	Q131	Q131-N135 HydrophobicContact CB-CB 3.88Å; Q131-N135 PolarHBondContact N-O 2.93Å
136	R	92.5	Very high	91.9	Very high	14 Å²	14	51 Å²	51	5%	0.053	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.9	168.6	-51.8	-49.3	176.9	-77.4	11.9	110.7	L72 T76 D77 P109 V128 F129 R130 G132 E133	L72-R136 HydrophobicContact CD2-CB 4.17Å; T76-R136 WeakPolarHBondContact OG1-CD 3.22Å; T76-R136 PolarHBondContact OG1-NE 3.21Å; T76-R136 VanDerWaalsContact OG1-NE 3.15Å; D77-R136 IonicContact OD1-CZ 3.54Å; D77-R136 IonicContact OD1-NH2 2.6Å; D77-R136 PolarHBondContact OD1-NH2 3.11Å; P109-R136 WeakPolarHBondContact CG-O 3.28Å; V128-R136 HydrophobicContact CG2-CB 4.4Å; F129-R136 WeakPolarHBondContact O-CA 3.47Å; R130-R136 VanDerWaalsContact NE-NH2 3.19Å; G132-R136 PolarHBondContact O-NH1 2.87Å; G132-R136 PolarHBondContact O-NH2 3.46Å; E133-R136 VanDerWaalsContact C-NH1 3.27Å; E133-R136 PolarHBondContact O-NH1 2.66Å; E133-R136 PolarHBondContact O-NH2 2.04Å
137	S	92	Very high	92.1	Very high	9 Å²	9	53 Å²	53	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.3	170.5	66.2	0	0	0	0	110.4	P109 V128 F129 Q131 Q139	P109-S137 CarbonylContact O-C 3.59Å; P109-S137 WeakPolarHBondContact O-CA 3.41Å; V128-S137 CarbonylContact C-O 3.57Å; V128-S137 WeakPolarHBondContact CA-O 3.38Å; F129-S137 PolarHBondContact N-O 3.15Å; F129-S137 PolarHBondContact O-N 3.18Å; Q131-S137 PolarHBondContact NE2-OG 2.89Å; S137-Q139 PolarHBondContact OG-NE2 2.96Å
138	V	92.3	Very high	92.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.5	171.9	-178.9	0	0	0	0	109.1	L72 I87 L89 L108 P109 F110 R111 A126	L72-V138 HydrophobicContact CD2-CG2 3.96Å; I87-V138 HydrophobicContact CD1-CG1 4Å; I87-V138 HydrophobicContact CD1-CG2 4.12Å; L89-V138 HydrophobicContact CD1-CG1 4.44Å; L108-V138 HydrophobicContact CB-CG2 4.27Å; P109-V138 PolarHBondContact O-N 2.8Å; F110-V138 CarbonylContact C-O 3.5Å; F110-V138 WeakPolarHBondContact CA-O 3.14Å; F110-V138 HydrophobicContact CD1-CB 3.67Å; F110-V138 HydrophobicContact CD1-CG1 3.51Å; F110-V138 HydrophobicContact CE1-CB 3.96Å; F110-V138 HydrophobicContact CE1-CG1 3.42Å; F110-V138 VanDerWaalsContact CE1-CG1 3.42Å; F110-V138 HydrophobicContact CG-CB 4.46Å; R111-V138 PolarHBondContact N-O 3.03Å; A126-V138 HydrophobicContact CB-CG1 3.51Å
139	Q	91.5	Very high	92.4	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129	-173.7	-59	-173.8	22.6	0	0	111.4	R111 A126 A127 F129 S137 S141	R111-Q139 HydrophobicContact CB-CG 4.26Å; A126-Q139 WeakPolarHBondContact CA-O 3.45Å; A127-Q139 PolarHBondContact N-O 2.94Å; A127-Q139 PolarHBondContact O-N 3.44Å; F129-Q139 VanDerWaalsContact CD1-NE2 3.3Å; S137-Q139 PolarHBondContact OG-NE2 2.96Å; Q139-S141 PolarHBondContact O-N 3.49Å
140	W	89.8	Confident	92.5	Very high	63 Å²	63	51.6 Å²	51.6	24%	0.239	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.9	173.6	-65.5	111.2	0	0	0	110.9	L89 N91 F110 K124 A126	L89-W140 HydrophobicContact CB-CH2 4.22Å; L89-W140 HydrophobicContact CB-CZ3 4.46Å; N91-W140 HydrophobicContact CB-CE3 4.28Å; N91-W140 HydrophobicContact CB-CH2 4.2Å; N91-W140 HydrophobicContact CB-CZ3 3.99Å; F110-W140 AromaticContact CD1-CE2 3.94Å; F110-W140 HydrophobicContact CD1-CZ2 4.05Å; F110-W140 AromaticContact CD1-NE1 3.61Å; F110-W140 AromaticContact CE1-CE2 3.85Å; F110-W140 HydrophobicContact CE1-CH2 4.29Å; F110-W140 AromaticContact CE1-CZ2 3.5Å; F110-W140 HydrophobicContact CE1-CZ2 3.5Å; F110-W140 VanDerWaalsContact CE1-CZ2 3.5Å; F110-W140 AromaticContact CE1-NE1 4Å; F110-W140 AromaticContact CZ-CZ2 4Å; F110-W140 HydrophobicContact CZ-CZ2 4Å; K124-W140 HydrophobicContact CB-CB 4.04Å; K124-W140 HydrophobicContact CB-CE3 4.11Å; K124-W140 HydrophobicContact CD-CB 3.84Å; A126-W140 HydrophobicContact CB-CD2 4.42Å; A126-W140 HydrophobicContact CB-CE3 3.87Å; A126-W140 HydrophobicContact CB-CH2 4.1Å; A126-W140 HydrophobicContact CB-CZ3 3.69Å
141	S	90	Very high	92.7	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157	-177.4	-67.9	0	0	0	0	111.2	K124 C125 Q139 C143 R147	K124-S141 WeakPolarHBondContact CA-O 3.13Å; C125-S141 PolarHBondContact N-O 3.25Å; C125-S141 PolarHBondContact O-N 3.29Å; Q139-S141 PolarHBondContact O-N 3.49Å; S141-C143 PolarHBondContact O-N 2.82Å; S141-R147 PolarHBondContact OG-NH2 2.91Å
142	P	91.6	Very high	93.2	Very high	66 Å²	66	47.1 Å²	47.1	43%	0.429	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	125.5	166.2	-24.6	34	0	0	0	110.8	W86 I144 N145	W86-P142 WeakPolarHBondContact CH2-O 3.29Å; P142-I144 HydrophobicContact CB-CG1 4.22Å; P142-I144 PolarHBondContact O-N 2.75Å; P142-I144 VanDerWaalsContact O-N 3.11Å; P142-N145 WeakPolarHBondContact O-CB 3.25Å; P142-N145 PolarHBondContact O-N 3.19Å; P142-N145 VanDerWaalsContact O-N 3.11Å
143	C	94.2	Very high	93.8	Very high	18 Å²	18	48.3 Å²	48.3	12%	0.122	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23	-174.6	-63.5	0	0	0	0	113.8	N48 H49 C125 S141 N145	N48-C143 WeakPolarHBondContact CB-O 3.26Å; H49-C143 HydrophobicContact CB-CB 4.24Å; H49-C143 PolarHBondContact N-O 2.79Å; C125-C143 HydrophobicContact CB-CB 3.92Å; C125-C143 WeakPolarHBondContact CB-SG 3.47Å; C125-C143 PolarHBondContact N-SG 2.76Å; C125-C143 WeakPolarHBondContact SG-CB 3.41Å; C125-C143 CovalentContact SG-SG 2.04Å; C125-C143 PolarHBondContact SG-SG 2.71Å; S141-C143 PolarHBondContact O-N 2.82Å; C143-N145 VanDerWaalsContact C-N 3.26Å; C143-N145 PolarHBondContact O-N 2.96Å
144	I	95.8	Very high	94.4	Very high	137 Å²	137	46.4 Å²	46.4	70%	0.703	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.8	-179.9	62.5	167.4	0	0	0	113.3	N48 P142	N48-I144 WeakPolarHBondContact CB-O 3.35Å; P142-I144 HydrophobicContact CB-CG1 4.22Å; P142-I144 PolarHBondContact O-N 2.75Å; P142-I144 VanDerWaalsContact O-N 3.11Å
145	N	96.1	Very high	95.1	Very high	59 Å²	59	40.6 Å²	40.6	32%	0.316	22%	0.215	S	C	.	.	S	Bend	trans	-68.2	131	-173.9	-71.4	-2.5	0	0	0	111	W86 P142 C143 R147	W86-N145 HydrophobicContact CZ2-CB 4.15Å; W86-N145 WeakPolarHBondContact CZ2-O 3.45Å; W86-N145 PolarHBondContact NE1-O 2.99Å; W86-N145 VanDerWaalsContact NE1-O 3.15Å; P142-N145 WeakPolarHBondContact O-CB 3.25Å; P142-N145 PolarHBondContact O-N 3.19Å; P142-N145 VanDerWaalsContact O-N 3.11Å; C143-N145 VanDerWaalsContact C-N 3.26Å; C143-N145 PolarHBondContact O-N 2.96Å; N145-R147 PolarHBondContact O-N 3.13Å
146	P	98.2	Very high	95.5	Very high	77 Å²	77	39.6 Å²	39.6	50%	0.5	21%	0.209	S	C	.	.			trans	-74.5	122.7	178.4	29.4	-33.8	0	0	0	110.7	R46 K47	R46-P146 HydrophobicContact CB-CB 3.94Å; K47-P146 WeakPolarHBondContact O-CA 3.41Å
147	R	98	Very high	95.6	Very high	44 Å²	44	44.4 Å²	44.4	17%	0.166	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.6	175.7	-55.6	-175.7	178.1	-80.4	3.4	111	R46 K47 N84 W86 S141 N145	R46-R147 CarbonylContact C-O 3.46Å; R46-R147 VanDerWaalsContact CA-O 3.28Å; R46-R147 WeakPolarHBondContact CA-O 3.49Å; K47-R147 PolarHBondContact N-O 3.41Å; K47-R147 PolarHBondContact O-N 2.86Å; N84-R147 VanDerWaalsContact CG-NH1 3.3Å; N84-R147 WeakPolarHBondContact OD1-CD 3.46Å; N84-R147 WeakPolarHBondContact OD1-CG 3.5Å; N84-R147 PolarHBondContact OD1-NH1 3.13Å; W86-R147 HydrophobicContact CD2-CB 4.24Å; W86-R147 HydrophobicContact CD2-CG 4.23Å; W86-R147 HydrophobicContact CG-CB 4.15Å; W86-R147 HydrophobicContact CZ2-CG 3.84Å; S141-R147 PolarHBondContact OG-NH2 2.91Å; N145-R147 PolarHBondContact O-N 3.13Å
148	P	98.6	Very high	95.5	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	164.9	155.8	-22.7	35.6	0	0	0	110.7	F43 Y44 R46 N84 A85 W86	F43-P148 CarbonylContact O-C 3.41Å; F43-P148 VanDerWaalsContact O-CA 3.22Å; F43-P148 WeakPolarHBondContact O-CA 3.42Å; F43-P148 WeakPolarHBondContact O-CB 3.17Å; Y44-P148 HydrophobicContact CD1-CB 4.4Å; R46-P148 HydrophobicContact CG-CG 4.4Å; N84-P148 WeakPolarHBondContact O-CB 3.47Å; N84-P148 WeakPolarHBondContact O-CD 3.24Å; N84-P148 WeakPolarHBondContact O-CG 3.28Å; A85-P148 CarbonylContact C-O 3.11Å; A85-P148 WeakPolarHBondContact CA-O 2.94Å; A85-P148 HydrophobicContact CB-CB 4.45Å; W86-P148 PolarHBondContact N-O 3.3Å
149	F	98.8	Very high	95.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.6	-178.8	57.4	-87.4	0	0	0	111.2	F43 N45 K47 A52 F55 L63 W86	F43-F149 HydrophobicContact CB-CD1 4.21Å; F43-F149 HydrophobicContact CB-CD2 3.94Å; F43-F149 HydrophobicContact CB-CE1 3.79Å; F43-F149 HydrophobicContact CB-CE2 3.5Å; F43-F149 VanDerWaalsContact CB-CE2 3.5Å; F43-F149 HydrophobicContact CB-CG 4.26Å; F43-F149 HydrophobicContact CB-CZ 3.41Å; F43-F149 VanDerWaalsContact CB-CZ 3.41Å; F43-F149 HydrophobicContact CD2-CD2 4.22Å; F43-F149 AromaticContact CD2-CE2 3.71Å; F43-F149 HydrophobicContact CD2-CE2 3.71Å; F43-F149 HydrophobicContact CD2-CZ 4.34Å; F43-F149 HydrophobicContact CG-CD2 4.46Å; F43-F149 AromaticContact CG-CE2 3.78Å; F43-F149 HydrophobicContact CG-CE2 3.78Å; F43-F149 AromaticContact CG-CZ 3.94Å; F43-F149 HydrophobicContact CG-CZ 3.94Å; F43-F149 PolarHBondContact N-O 3.5Å; F43-F149 PolarHBondContact O-N 2.6Å; N45-F149 VanDerWaalsContact O-CE1 3.28Å; N45-F149 WeakPolarHBondContact O-CE1 3.45Å; K47-F149 HydrophobicContact CB-CD1 4.28Å; K47-F149 HydrophobicContact CB-CE1 4.06Å; K47-F149 HydrophobicContact CD-CE1 3.62Å; K47-F149 HydrophobicContact CD-CZ 3.88Å; K47-F149 HydrophobicContact CG-CE1 3.88Å; A52-F149 HydrophobicContact CB-CB 3.69Å; A52-F149 HydrophobicContact CB-CD1 3.65Å; A52-F149 HydrophobicContact CB-CD2 3.87Å; A52-F149 HydrophobicContact CB-CE1 4.22Å; A52-F149 HydrophobicContact CB-CE2 4.4Å; A52-F149 HydrophobicContact CB-CG 3.47Å; A52-F149 VanDerWaalsContact CB-CG 3.47Å; F55-F149 HydrophobicContact CB-CE2 4.24Å; F55-F149 HydrophobicContact CB-CZ 4.08Å; F55-F149 AromaticContact CD1-CE2 3.48Å; F55-F149 HydrophobicContact CD1-CE2 3.48Å; F55-F149 VanDerWaalsContact CD1-CE2 3.48Å; F55-F149 AromaticContact CD1-CZ 3.48Å; F55-F149 HydrophobicContact CD1-CZ 3.48Å; F55-F149 VanDerWaalsContact CD1-CZ 3.48Å; F55-F149 HydrophobicContact CE1-CE2 4.14Å; F55-F149 HydrophobicContact CE1-CZ 4.01Å; F55-F149 HydrophobicContact CG-CE2 4.12Å; F55-F149 AromaticContact CG-CZ 3.81Å; F55-F149 HydrophobicContact CG-CZ 3.81Å; L63-F149 HydrophobicContact CD1-CB 3.85Å; L63-F149 HydrophobicContact CD1-CD2 4.29Å; L63-F149 HydrophobicContact CD1-CG 4.49Å; W86-F149 HydrophobicContact CB-CB 3.88Å
150	I	98.8	Very high	94.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.5	-179.2	-53.3	170.8	0	0	0	107.1	R41 M42 L63 F64 V75 T76 M79 A85 W86 I87 V128	R41-I150 WeakPolarHBondContact O-CA 3.43Å; M42-I150 HydrophobicContact CG-CG1 4.32Å; L63-I150 WeakPolarHBondContact CD1-O 3.42Å; F64-I150 HydrophobicContact CB-CB 3.75Å; F64-I150 HydrophobicContact CB-CG2 3.65Å; F64-I150 WeakPolarHBondContact CB-O 3.46Å; F64-I150 HydrophobicContact CD1-CB 4.15Å; F64-I150 HydrophobicContact CD1-CD1 4Å; F64-I150 HydrophobicContact CD1-CG2 3.97Å; F64-I150 HydrophobicContact CG-CB 4.35Å; F64-I150 HydrophobicContact CG-CG2 4.01Å; F64-I150 PolarHBondContact N-O 3.11Å; V75-I150 HydrophobicContact CG1-CD1 4.39Å; V75-I150 HydrophobicContact CG1-CG2 3.8Å; T76-I150 HydrophobicContact CG2-CD1 3.92Å; M79-I150 HydrophobicContact SD-CD1 4.09Å; A85-I150 HydrophobicContact CB-CD1 3.95Å; A85-I150 HydrophobicContact CB-CG1 3.68Å; W86-I150 PolarHBondContact O-N 2.95Å; I87-I150 HydrophobicContact CG2-CD1 4.49Å; V128-I150 HydrophobicContact CG1-CD1 4.14Å
151	C	98.8	Very high	93.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	152.3	169.4	-55.8	0	0	0	0	110.2	W32 Y40 R41 F43 C56 D62	W32-C151 HydrophobicContact CH2-CB 3.67Å; W32-C151 HydrophobicContact CZ3-CB 4.07Å; Y40-C151 CarbonylContact C-O 3.48Å; Y40-C151 WeakPolarHBondContact CA-O 3.45Å; R41-C151 PolarHBondContact N-O 2.93Å; R41-C151 PolarHBondContact O-N 3.35Å; F43-C151 HydrophobicContact CD2-CB 4.33Å; F43-C151 VanDerWaalsContact CD2-SG 3.54Å; F43-C151 HydrophobicContact CE2-CB 4.02Å; F43-C151 VanDerWaalsContact CE2-SG 3.53Å; C56-C151 WeakPolarHBondContact CA-SG 3.25Å; C56-C151 HydrophobicContact CB-CB 3.73Å; C56-C151 WeakPolarHBondContact CB-SG 3.44Å; C56-C151 VanDerWaalsContact SG-CA 3.51Å; C56-C151 WeakPolarHBondContact SG-CB 3.48Å; C56-C151 CovalentContact SG-SG 2.04Å; C56-C151 PolarHBondContact SG-SG 2.8Å; D62-C151 CarbonylContact O-C 3.58Å; D62-C151 WeakPolarHBondContact O-CA 3.29Å
152	E	98.5	Very high	92.7	Very high	13 Å²	13	64.7 Å²	64.7	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.7	174.9	75.2	172.9	144.2	0	0	112.3	R38 C39 Y40 S61 D62 F64 L65	R38-E152 IonicContact CZ-OE2 3.51Å; R38-E152 IonicContact NE-OE2 2.85Å; R38-E152 PolarHBondContact NE-OE2 3.13Å; R38-E152 IonicContact NH2-OE2 3.35Å; R38-E152 PolarHBondContact NH2-OE2 3.01Å; C39-E152 CarbonylContact O-C 3.47Å; C39-E152 VanDerWaalsContact O-CA 3.25Å; C39-E152 WeakPolarHBondContact O-CA 3.22Å; Y40-E152 HydrophobicContact CD1-CB 3.58Å; Y40-E152 HydrophobicContact CE1-CB 3.59Å; S61-E152 WeakPolarHBondContact CA-O 3.32Å; S61-E152 WeakPolarHBondContact CB-O 3.41Å; D62-E152 PolarHBondContact N-O 2.97Å; D62-E152 PolarHBondContact O-N 3.11Å; F64-E152 HydrophobicContact CB-CB 4.4Å; F64-E152 HydrophobicContact CD2-CB 4.36Å; L65-E152 PolarHBondContact N-OE1 2.8Å
153	K	98.3	Very high	91.8	Very high	38 Å²	38	66.1 Å²	66.1	17%	0.165	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	172.6	171.3	60.5	179.5	172.8	-176.7	0	111.4	D29 W32 C39	D29-K153 IonicContact OD2-NZ 2.6Å; D29-K153 PolarHBondContact OD2-NZ 2.87Å; W32-K153 HydrophobicContact CE3-CD 4.42Å; W32-K153 HydrophobicContact CE3-CG 4.09Å; W32-K153 HydrophobicContact CH2-CD 4.17Å; W32-K153 HydrophobicContact CH2-CG 4.27Å; W32-K153 HydrophobicContact CZ2-CD 4.42Å; W32-K153 HydrophobicContact CZ3-CD 4.16Å; W32-K153 HydrophobicContact CZ3-CG 3.81Å; C39-K153 HydrophobicContact CB-CG 4.02Å; C39-K153 PolarHBondContact N-O 3.33Å; C39-K153 PolarHBondContact O-N 3.23Å
154	D	97.3	Very high	90.8	Very high	115 Å²	115	71.4 Å²	71.4	62%	0.615	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.3	177.7	-57	-33.2	0	0	0	111.3	R38	R38-D154 IonicContact CZ-OD1 3.57Å; R38-D154 IonicContact NH1-OD1 2.76Å; R38-D154 PolarHBondContact NH1-OD1 2.93Å; R38-D154 IonicContact NH2-OD1 3.84Å
155	S	97.6	Very high	89.6	Confident	17 Å²	17	74.8 Å²	74.8	12%	0.119	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-80.9	169.7	168.3	66	0	0	0	0	110.8	Y25 M26 L34 S37	Y25-S155 WeakPolarHBondContact CB-OG 3.32Å; Y25-S155 WeakPolarHBondContact CD1-OG 3.41Å; M26-S155 WeakPolarHBondContact O-CB 3.41Å; L34-S155 VanDerWaalsContact CD1-CB 3.49Å; S37-S155 WeakPolarHBondContact CA-OG 3.5Å; S37-S155 PolarHBondContact O-N 2.83Å; S37-S155 PolarHBondContact O-OG 3.25Å
156	L	96.4	Very high	88.4	Confident	85 Å²	85	77.8 Å²	77.8	45%	0.445	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.1	169.1	-59.1	-178.1	0	0	0	109.4	Y25 M26 K28	Y25-L156 CarbonylContact C-O 3.6Å; Y25-L156 WeakPolarHBondContact CA-O 3.43Å; M26-L156 HydrophobicContact CG-CB 4.32Å; M26-L156 PolarHBondContact N-O 2.92Å; M26-L156 PolarHBondContact O-N 2.87Å; K28-L156 HydrophobicContact CB-CD1 3.83Å; K28-L156 HydrophobicContact CD-CD1 4.16Å; K28-L156 HydrophobicContact CG-CD1 4.29Å
157	E	94.7	Very high	86.9	Confident	116 Å²	116	78.6 Å²	78.6	54%	0.542	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.3	167.3	-168	178.1	163.2	0	0	109.6	P23 Y25 K159	P23-E157 HydrophobicContact CB-CG 3.88Å; P23-E157 VanDerWaalsContact CB-OE1 3.32Å; P23-E157 WeakPolarHBondContact CB-OE1 3.06Å; Y25-E157 HydrophobicContact CD1-CB 4.02Å; Y25-E157 HydrophobicContact CD1-CG 4.41Å; Y25-E157 HydrophobicContact CE1-CB 3.74Å; Y25-E157 HydrophobicContact CE1-CG 3.96Å; E157-K159 PolarHBondContact O-N 3.42Å
158	L	89.7	Confident	85.4	Confident	60 Å²	60	82 Å²	82	31%	0.314	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	108.6	179.4	-62.2	178.1	0	0	0	109.1	L24 M26	L24-L158 HydrophobicContact CB-CB 4.29Å; L24-L158 HydrophobicContact CD2-CD1 3.77Å; L24-L158 HydrophobicContact CG-CD1 3.94Å; L24-L158 PolarHBondContact O-N 2.78Å; M26-L158 HydrophobicContact CB-CD1 4.21Å; M26-L158 HydrophobicContact CE-CD1 3.38Å; M26-L158 HydrophobicContact CE-CD2 3.56Å; M26-L158 HydrophobicContact CE-CG 4.03Å; M26-L158 HydrophobicContact CG-CD1 4.05Å; M26-L158 HydrophobicContact CG-CD2 3.75Å; M26-L158 HydrophobicContact CG-CG 4.03Å; M26-L158 HydrophobicContact SD-CD1 4.44Å; M26-L158 HydrophobicContact SD-CD2 3.88Å
159	K	85.3	Confident	83.7	Confident	179 Å²	179	87.7 Å²	87.7	78%	0.778	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-71.6	135.2	171.9	-67.2	-176.3	179.6	-176.2	0	109.3	E157	E157-K159 PolarHBondContact O-N 3.42Å
160	P	75.4	Confident	81.8	Confident	84 Å²	84	94.8 Å²	94.8	55%	0.545	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-53.1	143.4	169.4	-23.4	32.6	0	0	0	110.2	V162	P160-V162 PolarHBondContact O-N 3.31Å
161	P	71.3	Confident	79.8	Confident	115 Å²	115	101 Å²	101	75%	0.747	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-59.1	127.9	170.1	24.2	-30.5	0	0	0	108.8	V163	P161-V163 PolarHBondContact O-N 2.88Å; P161-V163 VanDerWaalsContact O-N 3.12Å
162	V	73.2	Confident	77.6	Confident	122 Å²	122	105.5 Å²	105.5	74%	0.739	59%	0.588	S	S	*	*			trans	-67.2	110.5	170.3	-176.1	0	0	0	0	106.3	P160 D164	P160-V162 PolarHBondContact O-N 3.31Å; V162-D164 WeakPolarHBondContact CG1-OD1 3.38Å; V162-D164 PolarHBondContact O-N 3.02Å; V162-D164 VanDerWaalsContact O-N 3.14Å
163	V	72.3	Confident	75.2	Confident	96 Å²	96	116.1 Å²	116.1	58%	0.582	64%	0.643	S	S	*	*			trans	-77.9	96.3	171.2	-178.8	0	0	0	0	106.6	P161 Y165	P161-V163 PolarHBondContact O-N 2.88Å; P161-V163 VanDerWaalsContact O-N 3.12Å; V163-Y165 HydrophobicContact CB-CE2 4.26Å; V163-Y165 HydrophobicContact CG1-CD2 4.29Å; V163-Y165 HydrophobicContact CG1-CE1 4.32Å; V163-Y165 HydrophobicContact CG1-CE2 3.98Å; V163-Y165 WeakPolarHBondContact O-CD2 3.33Å; V163-Y165 PolarHBondContact O-N 3Å
164	D	73.9	Confident	74.1	Confident	130 Å²	130	120 Å²	120	70%	0.695	67%	0.666	S	S	*	*			trans	-70.4	100.3	170.9	-73.7	-25.6	0	0	0	108.3	V162 V166	V162-D164 WeakPolarHBondContact CG1-OD1 3.38Å; V162-D164 PolarHBondContact O-N 3.02Å; V162-D164 VanDerWaalsContact O-N 3.14Å; D164-V166 VanDerWaalsContact C-N 3.31Å; D164-V166 PolarHBondContact O-N 2.76Å
165	Y	71.5	Confident	72.8	Confident	208 Å²	208	120.3 Å²	120.3	82%	0.816	67%	0.669	S	S	*	*			trans	-69.1	93.6	166.9	-66.6	-86.3	0	0	0	108	V163 S167	V163-Y165 HydrophobicContact CB-CE2 4.26Å; V163-Y165 HydrophobicContact CG1-CD2 4.29Å; V163-Y165 HydrophobicContact CG1-CE1 4.32Å; V163-Y165 HydrophobicContact CG1-CE2 3.98Å; V163-Y165 WeakPolarHBondContact O-CD2 3.33Å; V163-Y165 PolarHBondContact O-N 3Å; Y165-S167 PolarHBondContact O-N 3.36Å; Y165-S167 VanDerWaalsContact O-N 3.1Å
166	V	70.3	Confident	71.5	Confident	122 Å²	122	126 Å²	126	74%	0.739	70%	0.7	S	S	*	*			trans	-69.4	105.5	163.9	-178.2	0	0	0	0	106.3	D164 V168	D164-V166 VanDerWaalsContact C-N 3.31Å; D164-V166 PolarHBondContact O-N 2.76Å; V166-V168 PolarHBondContact O-N 2.81Å
167	S	66.6	Low	70	Confident	94 Å²	94	128.4 Å²	128.4	66%	0.657	72%	0.715	S	S	*	*			trans	-60.1	108.7	167.6	52.2	0	0	0	0	107.9	Y165 N169	Y165-S167 PolarHBondContact O-N 3.36Å; Y165-S167 VanDerWaalsContact O-N 3.1Å; S167-N169 PolarHBondContact O-N 3.44Å
168	V	67	Low	68.4	Low	116 Å²	116	129.2 Å²	129.2	70%	0.703	73%	0.725	S	S	*	*			trans	-66.5	104.9	164.6	-179.1	0	0	0	0	105.3	V166 D170	V166-V168 PolarHBondContact O-N 2.81Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 2.95Å
169	N	62.6	Low	67	Low	132 Å²	132	133.8 Å²	133.8	71%	0.706	75%	0.753	S	S	*	*			trans	-65.6	104.2	165.7	-90.5	16	0	0	0	106.4	S167 T171	S167-N169 PolarHBondContact O-N 3.44Å; N169-T171 PolarHBondContact O-N 2.97Å
170	D	57.7	Low	65.7	Low	148 Å²	148	130.6 Å²	130.6	79%	0.791	75%	0.751	S	S	*	*			trans	-59.2	87.8	160.7	-72.4	-37.4	0	0	0	107.5	V168 A172	V168-D170 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 2.95Å; D170-A172 PolarHBondContact O-N 3.13Å
171	T	58.4	Low	65	Low	130 Å²	130	134.2 Å²	134.2	80%	0.798	77%	0.767	S	S	*	*			trans	-67.8	89.1	161.8	37	0	0	0	0	107	N169 I173	N169-T171 PolarHBondContact O-N 2.97Å; T171-I173 PolarHBondContact O-N 2.72Å
172	A	51.6	Low	64.5	Low	95 Å²	95	135.8 Å²	135.8	79%	0.785	77%	0.769	S	S	*	*			trans	-63.8	104.3	160.1	0	0	0	0	0	108.8	D170	D170-A172 PolarHBondContact O-N 3.13Å
173	I	48.3	Very low	63.7	Low	236 Å²	236	137 Å²	137	100%	1.21	77%	0.771	S	S	*	*			trans	-144.2	0	150	-53.5	-177.4	0	0	0	107.7	T171	T171-I173 PolarHBondContact O-N 2.72Å

Retrieved 173 of 173 residues in 53.5 ms (Link to these results)

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