A0A5K4FBU6_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 aa.

						>A0A5K4FBU6_SCHMA|A0A5K4FBU6
MVNLRSGVKVVSLPQASDIPTPGTDVFIVGYGRDDNDRDPSRRAGGILKKGRATVTECRHETHVNPICVKAGPNSGQLLGPGDNGGPLLPSPQGPVLGVVSHGVTLSHLPEYVSVARMLNFVRSNI
					

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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	55.5	Low	76.1	Confident	243 Å²	243	126.5 Å²	126.5	100%	1.197	69%	0.691	S	S	*	*				0	123.8	0	-167.6	172.5	81.3	0	0	108.1
2	V	64.3	Low	77.6	Confident	101 Å²	101	121.6 Å²	121.6	61%	0.612	67%	0.673	S	S	*	*			trans	-84.4	133.7	179	-179.2	0	0	0	0	108.9	L4 V8	V2-L4 HydrophobicContact CG1-CD2 4.49Å; V2-L4 PolarHBondContact O-N 2.82Å; V2-V8 HydrophobicContact CG1-CB 4.29Å; V2-V8 HydrophobicContact CG1-CG1 4.03Å; V2-V8 HydrophobicContact CG1-CG2 3.89Å
3	N	69.8	Low	79	Confident	102 Å²	102	117.2 Å²	117.2	55%	0.545	65%	0.647	S	S	.	*			trans	-78	104.5	175	-174.5	-7.4	0	0	0	109.9	R5	N3-R5 PolarHBondContact O-N 3.36Å; N3-R5 WeakPolarHBondContact OD1-CB 3.32Å; N3-R5 WeakPolarHBondContact OD1-CG 3.5Å; N3-R5 PolarHBondContact OD1-N 3.33Å
4	L	78.6	Confident	80.3	Confident	103 Å²	103	108.8 Å²	108.8	54%	0.539	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-3.8	179.4	-60.4	179.6	0	0	0	113.9	V2 S6 V8 V10	V2-L4 HydrophobicContact CG1-CD2 4.49Å; V2-L4 PolarHBondContact O-N 2.82Å; L4-S6 VanDerWaalsContact C-N 3.32Å; L4-S6 PolarHBondContact O-N 2.91Å; L4-V8 HydrophobicContact CD2-CB 4.25Å; L4-V8 HydrophobicContact CD2-CG1 3.81Å; L4-V10 HydrophobicContact CD1-CG2 4.35Å; L4-V10 HydrophobicContact CD2-CG2 3.89Å
5	R	69.9	Low	81.3	Confident	236 Å²	236	108.4 Å²	108.4	89%	0.891	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-15	-175	-63.8	-174.1	174.3	-162.8	-1	114.3	N3	N3-R5 PolarHBondContact O-N 3.36Å; N3-R5 WeakPolarHBondContact OD1-CB 3.32Å; N3-R5 WeakPolarHBondContact OD1-CG 3.5Å; N3-R5 PolarHBondContact OD1-N 3.33Å
6	S	78.1	Confident	82.1	Confident	87 Å²	87	105.6 Å²	105.6	61%	0.608	59%	0.588	S	S	*	*	S	Bend	trans	-152.1	130.9	177.2	58.8	0	0	0	0	111.7	L4 V8	L4-S6 VanDerWaalsContact C-N 3.32Å; L4-S6 PolarHBondContact O-N 2.91Å; S6-V8 PolarHBondContact O-N 3.34Å; S6-V8 VanDerWaalsContact O-N 3.12Å
7	G	76.5	Confident	82.8	Confident	92 Å²	92	105.2 Å²	105.2	95%	0.948	59%	0.594	S	S	*	*	S	Bend	trans	75.5	-8	168.5	0	0	0	0	0	116.5
8	V	83	Confident	83.5	Confident	63 Å²	63	102.6 Å²	102.6	38%	0.382	58%	0.579	S	S	.	*			trans	-117.9	124.5	179.4	-175.1	0	0	0	0	110.1	V2 L4 S6	V2-V8 HydrophobicContact CG1-CB 4.29Å; V2-V8 HydrophobicContact CG1-CG1 4.03Å; V2-V8 HydrophobicContact CG1-CG2 3.89Å; L4-V8 HydrophobicContact CD2-CB 4.25Å; L4-V8 HydrophobicContact CD2-CG1 3.81Å; S6-V8 PolarHBondContact O-N 3.34Å; S6-V8 VanDerWaalsContact O-N 3.12Å
9	K	84	Confident	84.1	Confident	194 Å²	194	100.4 Å²	100.4	84%	0.843	57%	0.565	S	S	*	*			trans	-118.5	131.3	168	-70.8	-173.7	177.2	-176.4	0	108.8
10	V	86.9	Confident	84.6	Confident	116 Å²	116	96.4 Å²	96.4	70%	0.703	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-77.7	132.6	173.8	-177.8	0	0	0	0	108.3	L4	L4-V10 HydrophobicContact CD1-CG2 4.35Å; L4-V10 HydrophobicContact CD2-CG2 3.89Å
11	V	90.7	Very high	85.1	Confident	54 Å²	54	96.2 Å²	96.2	33%	0.327	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-84.3	137.5	174.8	-170.8	0	0	0	0	108.6	L89 V96	V11-L89 HydrophobicContact CG1-CD2 4.02Å; V11-V96 HydrophobicContact CB-CG2 3.89Å; V11-V96 HydrophobicContact CG1-CG2 3.56Å
12	S	93.5	Very high	86.9	Confident	68 Å²	68	88.2 Å²	88.2	48%	0.476	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-71.9	151.6	-179.5	58.3	0	0	0	0	112.4	P95 V96	S12-P95 VanDerWaalsContact O-CA 3.31Å; S12-P95 WeakPolarHBondContact O-CA 3.22Å; S12-P95 WeakPolarHBondContact O-CB 3.31Å; S12-V96 PolarHBondContact O-N 2.92Å; S12-V96 VanDerWaalsContact O-N 3.08Å
13	L	96.2	Very high	88.3	Confident	64 Å²	64	86 Å²	86	34%	0.335	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-67.3	148.2	163.5	-66.2	178.4	0	0	0	110	V115 L119 V122 R123 I126	L13-V115 HydrophobicContact CD2-CG1 4.13Å; L13-L119 HydrophobicContact CB-CD1 4.07Å; L13-L119 HydrophobicContact CD1-CD1 4.07Å; L13-V122 HydrophobicContact CD1-CG1 3.92Å; L13-V122 HydrophobicContact CD2-CG1 3.91Å; L13-R123 HydrophobicContact CD1-CG 4.45Å; L13-I126 HydrophobicContact CD1-CD1 4.24Å
14	P	96.7	Very high	89.5	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-70.2	162.2	171.3	30.7	-33.3	0	0	0	110.7	D18 P95 V96 V115 A116 L119	P14-D18 HydrophobicContact CB-CB 3.84Å; P14-P95 HydrophobicContact CB-CB 4.18Å; P14-P95 HydrophobicContact CB-CG 4.29Å; P14-V96 WeakPolarHBondContact CD-O 3.3Å; P14-V96 VanDerWaalsContact CG-O 3.32Å; P14-V96 WeakPolarHBondContact CG-O 3.33Å; P14-V115 HydrophobicContact CG-CB 3.86Å; P14-V115 HydrophobicContact CG-CG1 3.69Å; P14-A116 HydrophobicContact CB-CB 4.32Å; P14-A116 HydrophobicContact CG-CB 4.12Å; P14-L119 WeakPolarHBondContact O-CD2 3.44Å
15	Q	96	Very high	90.2	Very high	103 Å²	103	83.6 Å²	83.6	48%	0.481	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-76.2	160.5	160	-57.6	-55.5	-38.2	0	0	110.2	S17 D18 A116	Q15-S17 PolarHBondContact O-N 3.05Å; Q15-S17 VanDerWaalsContact O-N 3.13Å; Q15-D18 PolarHBondContact N-OD2 2.75Å; Q15-D18 PolarHBondContact O-N 2.9Å; Q15-A116 WeakPolarHBondContact O-CB 3.44Å
16	A	94	Very high	91.3	Very high	63 Å²	63	72.4 Å²	72.4	52%	0.521	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.9	176.1	0	0	0	0	0	112.7	L119	A16-L119 HydrophobicContact CB-CD2 4.27Å
17	S	94.3	Very high	91.9	Very high	99 Å²	99	69.7 Å²	69.7	69%	0.692	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.8	175.8	53.1	0	0	0	0	114.4	Q15 I19	Q15-S17 PolarHBondContact O-N 3.05Å; Q15-S17 VanDerWaalsContact O-N 3.13Å; S17-I19 PolarHBondContact O-N 3.28Å
18	D	95	Very high	92.5	Very high	59 Å²	59	65.3 Å²	65.3	32%	0.316	39%	0.387	S	S	.	.			trans	-83.5	46.4	-174	-56.7	-19.2	0	0	0	111.1	P14 Q15 P20 L97	P14-D18 HydrophobicContact CB-CB 3.84Å; Q15-D18 PolarHBondContact N-OD2 2.75Å; Q15-D18 PolarHBondContact O-N 2.9Å; D18-P20 WeakPolarHBondContact O-CD 3.33Å; D18-L97 HydrophobicContact CB-CD2 4.18Å; D18-L97 WeakPolarHBondContact O-CD2 3.42Å
19	I	94.5	Very high	92.7	Very high	61 Å²	61	63.6 Å²	63.6	31%	0.313	38%	0.377	S	S	.	.			trans	-85.5	114.8	171.7	-60.5	173.5	0	0	0	106.5	S17 A116 R117	S17-I19 PolarHBondContact O-N 3.28Å; I19-A116 HydrophobicContact CG1-CB 3.89Å; I19-R117 HydrophobicContact CD1-CG 4.12Å
20	P	95	Very high	92.9	Very high	20 Å²	20	54.5 Å²	54.5	13%	0.13	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-69	146.1	-177.1	30.4	-35.7	0	0	0	111	D18 T24 V55 I67 L97	D18-P20 WeakPolarHBondContact O-CD 3.33Å; P20-T24 HydrophobicContact CB-CG2 4.02Å; P20-V55 HydrophobicContact CB-CG1 4.45Å; P20-V55 HydrophobicContact CB-CG2 3.95Å; P20-V55 HydrophobicContact CG-CG1 4.46Å; P20-V55 HydrophobicContact CG-CG2 4.08Å; P20-I67 HydrophobicContact CG-CD1 3.84Å; P20-I67 HydrophobicContact CG-CG1 4.17Å; P20-I67 HydrophobicContact CG-CG2 4.14Å; P20-L97 HydrophobicContact CB-CD1 4.33Å; P20-L97 HydrophobicContact CG-CD1 4.32Å
21	T	94.4	Very high	93	Very high	92 Å²	92	55 Å²	55	56%	0.564	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-93.4	158.1	175.1	54.1	0	0	0	0	110.6	G23 T24 V55	T21-G23 PolarHBondContact O-N 3.22Å; T21-T24 PolarHBondContact N-OG1 3.13Å; T21-T24 VanDerWaalsContact O-CB 3.32Å; T21-T24 WeakPolarHBondContact O-CB 3.42Å; T21-T24 PolarHBondContact O-N 3Å; T21-T24 PolarHBondContact O-OG1 3.44Å; T21-V55 WeakPolarHBondContact O-CG1 3.49Å
22	P	93.6	Very high	92.6	Very high	75 Å²	75	53.4 Å²	53.4	49%	0.487	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	136.6	167.7	-27.1	35.9	0	0	0	111.4	V55 E57	P22-V55 CarbonylContact C-O 3.54Å; P22-V55 WeakPolarHBondContact CA-O 3.28Å; P22-E57 HydrophobicContact CB-CG 4.42Å; P22-E57 HydrophobicContact CG-CG 3.79Å
23	G	93.3	Very high	92.1	Very high	54 Å²	54	58.7 Å²	58.7	56%	0.557	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-11	-173.8	0	0	0	0	0	115	T21 D25 T54 V55	T21-G23 PolarHBondContact O-N 3.22Å; G23-D25 PolarHBondContact O-N 2.88Å; G23-T54 VanDerWaalsContact CA-CG2 3.47Å; G23-V55 PolarHBondContact N-O 2.78Å
24	T	94.8	Very high	91.3	Very high	42 Å²	42	56.2 Å²	56.2	26%	0.258	32%	0.319	S	S	.	.			trans	-65.9	124.6	175	-61	0	0	0	0	111	P20 T21 V26 T54 V55	P20-T24 HydrophobicContact CB-CG2 4.02Å; T21-T24 PolarHBondContact N-OG1 3.13Å; T21-T24 VanDerWaalsContact O-CB 3.32Å; T21-T24 WeakPolarHBondContact O-CB 3.42Å; T21-T24 PolarHBondContact O-N 3Å; T21-T24 PolarHBondContact O-OG1 3.44Å; T24-V26 HydrophobicContact CG2-CG1 4.22Å; T24-T54 WeakPolarHBondContact O-CA 3.4Å; T24-V55 PolarHBondContact O-N 3.14Å
25	D	93.1	Very high	90.5	Very high	113 Å²	113	60.1 Å²	60.1	60%	0.604	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.4	172.1	-76.2	-28.3	0	0	0	111.3	G23 T54	G23-D25 PolarHBondContact O-N 2.88Å; D25-T54 PolarHBondContact OD1-OG1 3.44Å
26	V	93.5	Very high	89.5	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.012	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.2	-176.7	-69.7	0	0	0	0	111.1	T24 A53 V55 V69 L88 L89 L97	T24-V26 HydrophobicContact CG2-CG1 4.22Å; V26-A53 HydrophobicContact CG2-CB 4.04Å; V26-A53 WeakPolarHBondContact CG2-O 3.38Å; V26-A53 PolarHBondContact N-O 3.41Å; V26-A53 PolarHBondContact O-N 3.16Å; V26-A53 VanDerWaalsContact O-O 3.13Å; V26-V55 HydrophobicContact CG1-CG2 3.9Å; V26-V55 HydrophobicContact CG2-CG2 4.17Å; V26-V69 HydrophobicContact CG2-CG1 4.23Å; V26-L88 HydrophobicContact CB-CD1 3.91Å; V26-L88 HydrophobicContact CB-CG 4.1Å; V26-L88 HydrophobicContact CG1-CD2 4.39Å; V26-L88 HydrophobicContact CG1-CG 4.28Å; V26-L88 HydrophobicContact CG2-CD1 3.73Å; V26-L88 HydrophobicContact CG2-CD2 4.47Å; V26-L88 HydrophobicContact CG2-CG 4.28Å; V26-L89 CarbonylContact C-O 3.6Å; V26-L89 WeakPolarHBondContact CA-O 3.35Å; V26-L97 HydrophobicContact CG1-CD1 4.06Å
27	F	91	Very high	88.8	Confident	30 Å²	30	58 Å²	58	13%	0.132	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.1	173.7	-62.2	-71.4	0	0	0	110.3	K50 G51 R52 L89 P90 P92	F27-K50 HydrophobicContact CD1-CD 4.29Å; F27-K50 HydrophobicContact CD1-CG 4.3Å; F27-G51 VanDerWaalsContact CA-O 3.28Å; F27-G51 WeakPolarHBondContact CA-O 3.4Å; F27-R52 HydrophobicContact CD1-CG 4.1Å; F27-R52 HydrophobicContact CE1-CG 3.88Å; F27-L89 HydrophobicContact CB-CB 4.38Å; F27-L89 PolarHBondContact N-O 3.21Å; F27-L89 PolarHBondContact O-N 2.86Å; F27-L89 VanDerWaalsContact O-N 3.08Å; F27-P90 WeakPolarHBondContact CE2-O 3.46Å; F27-P92 HydrophobicContact CE2-CG 4.42Å
28	I	88.3	Confident	88.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.1	172.1	-61.2	-177.3	0	0	0	107	K50 G51 A53 V69 L78 P81 L88 Y112	I28-K50 CarbonylContact O-C 3.51Å; I28-K50 WeakPolarHBondContact O-CA 3.42Å; I28-G51 PolarHBondContact N-O 2.96Å; I28-G51 PolarHBondContact O-N 2.89Å; I28-A53 HydrophobicContact CD1-CB 3.48Å; I28-A53 VanDerWaalsContact CD1-CB 3.48Å; I28-A53 HydrophobicContact CG1-CB 3.93Å; I28-V69 HydrophobicContact CD1-CG2 3.91Å; I28-L78 HydrophobicContact CG2-CD1 4.25Å; I28-P81 WeakPolarHBondContact CG2-O 3.17Å; I28-L88 HydrophobicContact CG1-CD1 4.08Å; I28-Y112 WeakPolarHBondContact CD1-OH 3.46Å; I28-Y112 WeakPolarHBondContact CG1-OH 3.49Å
29	V	87.4	Confident	87.8	Confident	26 Å²	26	63.5 Å²	63.5	16%	0.158	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.6	177.2	-65.2	0	0	0	0	111.2	L48 K49 K50 P87 L89	V29-L48 HydrophobicContact CB-CD1 4.15Å; V29-K49 VanDerWaalsContact CA-O 3.31Å; V29-K49 WeakPolarHBondContact CA-O 3.05Å; V29-K50 HydrophobicContact CG1-CB 4.31Å; V29-K50 HydrophobicContact CG1-CG 4.21Å; V29-P87 HydrophobicContact CG2-CG 3.7Å; V29-L89 HydrophobicContact CG2-CD1 4.4Å
30	G	88.3	Confident	87.5	Confident	4 Å²	4	65 Å²	65	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	167.3	178.7	0	0	0	0	0	111.5	K49 D83	G30-K49 PolarHBondContact N-O 3.42Å; G30-K49 PolarHBondContact O-N 3.21Å; G30-D83 WeakPolarHBondContact CA-OD2 3.45Å
31	Y	88.5	Confident	87.1	Confident	126 Å²	126	68.3 Å²	68.3	49%	0.494	37%	0.366	S	S	.	.			trans	-110.1	-1.8	175.3	-63.8	-94.6	0	0	0	112	G45 G46 I47 L48 D83	Y31-G45 CarbonylContact O-C 3.35Å; Y31-G45 WeakPolarHBondContact O-CA 3.39Å; Y31-G46 PolarHBondContact O-N 2.92Å; Y31-I47 VanDerWaalsContact CD1-C 3.48Å; Y31-L48 HydrophobicContact CD1-CB 4.17Å; Y31-L48 VanDerWaalsContact CD1-N 3.34Å; Y31-L48 HydrophobicContact CD2-CD1 4.34Å; Y31-L48 HydrophobicContact CE1-CB 3.56Å; Y31-L48 HydrophobicContact CE1-CD1 4.26Å; Y31-L48 HydrophobicContact CE1-CG 4.48Å; Y31-L48 HydrophobicContact CE2-CD1 3.79Å; Y31-D83 PolarHBondContact N-OD2 2.87Å
32	G	83.2	Confident	86.7	Confident	20 Å²	20	69.3 Å²	69.3	21%	0.206	36%	0.359	C	S	.	.	S	Bend	trans	-63	174.5	-177.4	0	0	0	0	0	114.7	D34 G45 D83	G32-D34 PolarHBondContact O-N 3.35Å; G32-G45 WeakPolarHBondContact O-CA 3.32Å; G32-D83 WeakPolarHBondContact CA-OD1 3.47Å; G32-D83 PolarHBondContact N-OD1 3.24Å; G32-D83 PolarHBondContact N-OD2 2.7Å
33	R	83	Confident	86.3	Confident	180 Å²	180	70.4 Å²	70.4	68%	0.679	35%	0.354	S	S	*	.			trans	-58	134.1	175.5	-173.7	-178.7	175.4	166.2	-3.9	109.9	D35 R43	R33-D35 IonicContact CZ-OD1 3.22Å; R33-D35 VanDerWaalsContact CZ-OD1 3.22Å; R33-D35 IonicContact CZ-OD2 3.77Å; R33-D35 IonicContact NE-OD1 2.75Å; R33-D35 PolarHBondContact NE-OD1 2.89Å; R33-D35 IonicContact NE-OD2 3.39Å; R33-D35 PolarHBondContact NE-OD2 3.1Å; R33-D35 IonicContact NH2-OD1 2.82Å; R33-D35 PolarHBondContact NH2-OD1 3.23Å; R33-D35 IonicContact NH2-OD2 3.59Å; R33-R43 CarbonylContact C-O 3.51Å; R33-R43 VanDerWaalsContact CA-O 3.22Å; R33-R43 WeakPolarHBondContact CA-O 3.27Å; R33-R43 WeakPolarHBondContact CG-O 3Å
34	D	79.8	Confident	86	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.059	36%	0.362	C	S	.	.			trans	-140.1	105.8	167.9	144	54.3	0	0	0	109.7	G32 N36 D37 R43 K49 L78	G32-D34 PolarHBondContact O-N 3.35Å; D34-N36 PolarHBondContact O-N 3.39Å; D34-N36 WeakPolarHBondContact OD1-CA 3.34Å; D34-N36 WeakPolarHBondContact OD1-CB 3.31Å; D34-N36 PolarHBondContact OD1-N 3.08Å; D34-D37 PolarHBondContact O-N 3.23Å; D34-R43 PolarHBondContact N-O 3.08Å; D34-R43 WeakPolarHBondContact O-CA 3.37Å; D34-R43 WeakPolarHBondContact O-CG 3Å; D34-K49 HydrophobicContact CB-CD 3.84Å; D34-K49 PolarHBondContact O-NZ 2.99Å; D34-K49 WeakPolarHBondContact OD2-CD 3.42Å; D34-K49 IonicContact OD2-NZ 3.74Å; D34-K49 PolarHBondContact OD2-NZ 2.96Å; D34-L78 HydrophobicContact CB-CD2 3.87Å
35	D	79.2	Confident	85.5	Confident	83 Å²	83	70.8 Å²	70.8	44%	0.444	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.9	-175	-68.9	-44.9	0	0	0	113.2	R33 R43	R33-D35 IonicContact CZ-OD1 3.22Å; R33-D35 VanDerWaalsContact CZ-OD1 3.22Å; R33-D35 IonicContact CZ-OD2 3.77Å; R33-D35 IonicContact NE-OD1 2.75Å; R33-D35 PolarHBondContact NE-OD1 2.89Å; R33-D35 IonicContact NE-OD2 3.39Å; R33-D35 PolarHBondContact NE-OD2 3.1Å; R33-D35 IonicContact NH2-OD1 2.82Å; R33-D35 PolarHBondContact NH2-OD1 3.23Å; R33-D35 IonicContact NH2-OD2 3.59Å; D35-R43 PolarHBondContact O-NE 3.27Å
36	N	74.9	Confident	85.1	Confident	98 Å²	98	68.6 Å²	68.6	52%	0.524	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.1	180	-53.3	-74	0	0	0	112.7	D34 R38 L79	D34-N36 PolarHBondContact O-N 3.39Å; D34-N36 WeakPolarHBondContact OD1-CA 3.34Å; D34-N36 WeakPolarHBondContact OD1-CB 3.31Å; D34-N36 PolarHBondContact OD1-N 3.08Å; N36-R38 PolarHBondContact O-N 2.92Å; N36-L79 WeakPolarHBondContact ND2-CD1 3.49Å
37	D	79.2	Confident	84.7	Confident	24 Å²	24	72.4 Å²	72.4	13%	0.128	38%	0.381	C	S	.	.			trans	-60.6	134.1	174.4	-155.4	-48	0	0	0	109.8	D34 D39 R42 R43 K49	D34-D37 PolarHBondContact O-N 3.23Å; D37-D39 PolarHBondContact O-N 2.83Å; D37-D39 PolarHBondContact OD1-N 2.03Å; D37-R42 HydrophobicContact CB-CB 4.37Å; D37-R42 VanDerWaalsContact OD2-CB 3.26Å; D37-R42 WeakPolarHBondContact OD2-CB 3.28Å; D37-R43 HydrophobicContact CB-CG 3.9Å; D37-R43 PolarHBondContact O-NE 3.01Å; D37-R43 PolarHBondContact O-NH2 3.42Å; D37-R43 VanDerWaalsContact O-NH2 3.09Å; D37-K49 VanDerWaalsContact OD2-CE 3.23Å; D37-K49 WeakPolarHBondContact OD2-CE 3.34Å; D37-K49 IonicContact OD2-NZ 2.86Å; D37-K49 PolarHBondContact OD2-NZ 3.5Å
38	R	82.5	Confident	84.5	Confident	221 Å²	221	75.6 Å²	75.6	83%	0.834	40%	0.399	S	S	*	.	S	Bend	trans	-68.6	-27.5	-179.9	-67.9	-176.5	178.5	177.2	-1.3	111.3	N36 P40	N36-R38 PolarHBondContact O-N 2.92Å; R38-P40 WeakPolarHBondContact O-CD 3.45Å
39	D	85.6	Confident	84.3	Confident	52 Å²	52	76.3 Å²	76.3	28%	0.278	40%	0.402	S	S	.	.	S	Bend	trans	-95.1	110.9	175.1	-178	-12.5	0	0	0	109.4	D37 S41 R42	D37-D39 PolarHBondContact O-N 2.83Å; D37-D39 PolarHBondContact OD1-N 2.03Å; D39-S41 PolarHBondContact O-N 2.91Å; D39-S41 VanDerWaalsContact O-N 3.12Å; D39-S41 WeakPolarHBondContact OD1-CB 3.32Å; D39-S41 PolarHBondContact OD1-N 3.11Å; D39-S41 PolarHBondContact OD1-OG 2.9Å; D39-S41 PolarHBondContact OD2-OG 2.97Å; D39-R42 HydrophobicContact CB-CB 4.37Å; D39-R42 HydrophobicContact CB-CG 3.82Å; D39-R42 PolarHBondContact O-N 2.83Å; D39-R42 IonicContact OD2-CZ 2.97Å; D39-R42 IonicContact OD2-NE 3.62Å; D39-R42 PolarHBondContact OD2-NE 2.72Å; D39-R42 IonicContact OD2-NH2 3.21Å
40	P	88.2	Confident	84.2	Confident	91 Å²	91	79.1 Å²	79.1	59%	0.591	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55.8	-30.8	-179.2	-26.1	35.6	0	0	0	113.8	R38 R42 R43	R38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-R42 PolarHBondContact O-N 2.95Å; P40-R43 PolarHBondContact O-N 3.4Å
41	S	87.6	Confident	84	Confident	91 Å²	91	79 Å²	79	64%	0.636	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-67.1	-21.1	179.6	72.1	0	0	0	0	113	D39	D39-S41 PolarHBondContact O-N 2.91Å; D39-S41 VanDerWaalsContact O-N 3.12Å; D39-S41 WeakPolarHBondContact OD1-CB 3.32Å; D39-S41 PolarHBondContact OD1-N 3.11Å; D39-S41 PolarHBondContact OD1-OG 2.9Å; D39-S41 PolarHBondContact OD2-OG 2.97Å
42	R	85.5	Confident	84	Confident	113 Å²	113	80 Å²	80	43%	0.426	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-95.6	-7.5	-179.3	-54.2	-175.7	-170.5	-167.2	-7.4	113.3	D37 D39 P40 A44 G45 I47 K49	D37-R42 HydrophobicContact CB-CB 4.37Å; D37-R42 VanDerWaalsContact OD2-CB 3.26Å; D37-R42 WeakPolarHBondContact OD2-CB 3.28Å; D39-R42 HydrophobicContact CB-CB 4.37Å; D39-R42 HydrophobicContact CB-CG 3.82Å; D39-R42 PolarHBondContact O-N 2.83Å; D39-R42 IonicContact OD2-CZ 2.97Å; D39-R42 IonicContact OD2-NE 3.62Å; D39-R42 PolarHBondContact OD2-NE 2.72Å; D39-R42 IonicContact OD2-NH2 3.21Å; P40-R42 PolarHBondContact O-N 2.95Å; R42-A44 VanDerWaalsContact C-N 3.32Å; R42-A44 PolarHBondContact O-N 2.8Å; R42-G45 PolarHBondContact O-N 2.99Å; R42-I47 HydrophobicContact CB-CD1 4.32Å; R42-I47 HydrophobicContact CG-CD1 3.77Å; R42-K49 VanDerWaalsContact O-CE 3.27Å; R42-K49 WeakPolarHBondContact O-CE 2.98Å; R42-K49 PolarHBondContact O-NZ 2.91Å
43	R	86.4	Confident	84.3	Confident	98 Å²	98	79.1 Å²	79.1	37%	0.37	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-35.8	-176.9	-68.1	-177.8	-178.9	173.9	-1.8	112.6	R33 D34 D35 D37 P40 G45	R33-R43 CarbonylContact C-O 3.51Å; R33-R43 VanDerWaalsContact CA-O 3.22Å; R33-R43 WeakPolarHBondContact CA-O 3.27Å; R33-R43 WeakPolarHBondContact CG-O 3Å; D34-R43 PolarHBondContact N-O 3.08Å; D34-R43 WeakPolarHBondContact O-CA 3.37Å; D34-R43 WeakPolarHBondContact O-CG 3Å; D35-R43 PolarHBondContact O-NE 3.27Å; D37-R43 HydrophobicContact CB-CG 3.9Å; D37-R43 PolarHBondContact O-NE 3.01Å; D37-R43 PolarHBondContact O-NH2 3.42Å; D37-R43 VanDerWaalsContact O-NH2 3.09Å; P40-R43 PolarHBondContact O-N 3.4Å; R43-G45 PolarHBondContact O-N 3.3Å; R43-G45 VanDerWaalsContact O-N 3.1Å
44	A	85.7	Confident	84.7	Confident	89 Å²	89	72.8 Å²	72.8	74%	0.736	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.4	179.4	0	0	0	0	0	114	R42	R42-A44 VanDerWaalsContact C-N 3.32Å; R42-A44 PolarHBondContact O-N 2.8Å
45	G	85.5	Confident	85.3	Confident	15 Å²	15	72.7 Å²	72.7	16%	0.155	39%	0.385	C	S	.	.			trans	92.3	-159.9	-174	0	0	0	0	0	112.4	Y31 G32 R42 R43 I47	Y31-G45 CarbonylContact O-C 3.35Å; Y31-G45 WeakPolarHBondContact O-CA 3.39Å; G32-G45 WeakPolarHBondContact O-CA 3.32Å; R42-G45 PolarHBondContact O-N 2.99Å; R43-G45 PolarHBondContact O-N 3.3Å; R43-G45 VanDerWaalsContact O-N 3.1Å; G45-I47 VanDerWaalsContact C-N 3.26Å; G45-I47 PolarHBondContact O-N 3.06Å
46	G	84	Confident	85.9	Confident	67 Å²	67	70.4 Å²	70.4	69%	0.691	37%	0.374	S	S	*	.			trans	82.6	-4.9	-178.9	0	0	0	0	0	114.9	Y31	Y31-G46 PolarHBondContact O-N 2.92Å
47	I	85.2	Confident	86.6	Confident	81 Å²	81	72.3 Å²	72.3	42%	0.415	38%	0.38	S	S	.	.	S	Bend	trans	-120	139.5	174.7	-64.8	162.9	0	0	0	108	Y31 R42 G45 K49	Y31-I47 VanDerWaalsContact CD1-C 3.48Å; R42-I47 HydrophobicContact CB-CD1 4.32Å; R42-I47 HydrophobicContact CG-CD1 3.77Å; G45-I47 VanDerWaalsContact C-N 3.26Å; G45-I47 PolarHBondContact O-N 3.06Å; I47-K49 PolarHBondContact O-N 2.93Å
48	L	87	Confident	87	Confident	97 Å²	97	73 Å²	73	51%	0.508	39%	0.386	S	S	.	.			trans	-63.1	120.8	177.6	-178.6	63.9	0	0	0	110.2	V29 Y31	V29-L48 HydrophobicContact CB-CD1 4.15Å; Y31-L48 HydrophobicContact CD1-CB 4.17Å; Y31-L48 VanDerWaalsContact CD1-N 3.34Å; Y31-L48 HydrophobicContact CD2-CD1 4.34Å; Y31-L48 HydrophobicContact CE1-CB 3.56Å; Y31-L48 HydrophobicContact CE1-CD1 4.26Å; Y31-L48 HydrophobicContact CE1-CG 4.48Å; Y31-L48 HydrophobicContact CE2-CD1 3.79Å
49	K	84	Confident	87.1	Confident	15 Å²	15	73 Å²	73	7%	0.065	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.7	173.4	-62.4	-178.6	178.2	-169.2	0	109.8	V29 G30 D34 D37 R42 I47 L78	V29-K49 VanDerWaalsContact CA-O 3.31Å; V29-K49 WeakPolarHBondContact CA-O 3.05Å; G30-K49 PolarHBondContact N-O 3.42Å; G30-K49 PolarHBondContact O-N 3.21Å; D34-K49 HydrophobicContact CB-CD 3.84Å; D34-K49 PolarHBondContact O-NZ 2.99Å; D34-K49 WeakPolarHBondContact OD2-CD 3.42Å; D34-K49 IonicContact OD2-NZ 3.74Å; D34-K49 PolarHBondContact OD2-NZ 2.96Å; D37-K49 VanDerWaalsContact OD2-CE 3.23Å; D37-K49 WeakPolarHBondContact OD2-CE 3.34Å; D37-K49 IonicContact OD2-NZ 2.86Å; D37-K49 PolarHBondContact OD2-NZ 3.5Å; R42-K49 VanDerWaalsContact O-CE 3.27Å; R42-K49 WeakPolarHBondContact O-CE 2.98Å; R42-K49 PolarHBondContact O-NZ 2.91Å; I47-K49 PolarHBondContact O-N 2.93Å; K49-L78 HydrophobicContact CB-CD1 3.82Å; K49-L78 HydrophobicContact CB-CD2 3.75Å; K49-L78 HydrophobicContact CB-CG 3.64Å; K49-L78 HydrophobicContact CD-CD2 3.8Å; K49-L78 HydrophobicContact CG-CD2 4.41Å
50	K	85.5	Confident	86.9	Confident	86 Å²	86	73.6 Å²	73.6	37%	0.374	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.2	-177.2	179.7	-179.5	174.7	-177.3	0	110.2	F27 I28 V29 Q77	F27-K50 HydrophobicContact CD1-CD 4.29Å; F27-K50 HydrophobicContact CD1-CG 4.3Å; I28-K50 CarbonylContact O-C 3.51Å; I28-K50 WeakPolarHBondContact O-CA 3.42Å; V29-K50 HydrophobicContact CG1-CB 4.31Å; V29-K50 HydrophobicContact CG1-CG 4.21Å; K50-Q77 WeakPolarHBondContact O-CB 3.42Å; K50-Q77 VanDerWaalsContact O-CD 3.22Å; K50-Q77 WeakPolarHBondContact O-CG 3.21Å; K50-Q77 PolarHBondContact O-OE1 3.12Å
51	G	84.1	Confident	86.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.8	170.9	0	0	0	0	0	113.8	F27 I28	F27-G51 VanDerWaalsContact CA-O 3.28Å; F27-G51 WeakPolarHBondContact CA-O 3.4Å; I28-G51 PolarHBondContact N-O 2.96Å; I28-G51 PolarHBondContact O-N 2.89Å
52	R	88.1	Confident	86.1	Confident	147 Å²	147	75.4 Å²	75.4	56%	0.555	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.6	154.9	-71.8	-173.8	-178.3	-139.8	4.2	109.2	F27 G72	F27-R52 HydrophobicContact CD1-CG 4.1Å; F27-R52 HydrophobicContact CE1-CG 3.88Å; R52-G72 PolarHBondContact O-N 3.05Å
53	A	88.9	Confident	85.6	Confident	2 Å²	2	78.8 Å²	78.8	2%	0.017	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	168.6	174.6	0	0	0	0	0	109.9	V26 I28 V69 K70	V26-A53 HydrophobicContact CG2-CB 4.04Å; V26-A53 WeakPolarHBondContact CG2-O 3.38Å; V26-A53 PolarHBondContact N-O 3.41Å; V26-A53 PolarHBondContact O-N 3.16Å; V26-A53 VanDerWaalsContact O-O 3.13Å; I28-A53 HydrophobicContact CD1-CB 3.48Å; I28-A53 VanDerWaalsContact CD1-CB 3.48Å; I28-A53 HydrophobicContact CG1-CB 3.93Å; A53-V69 HydrophobicContact CB-CB 4.17Å; A53-V69 HydrophobicContact CB-CG2 4.24Å; A53-K70 CarbonylContact C-O 3.53Å; A53-K70 VanDerWaalsContact CA-O 3.28Å; A53-K70 WeakPolarHBondContact CA-O 3.36Å; A53-K70 VanDerWaalsContact CB-O 3.32Å; A53-K70 WeakPolarHBondContact CB-O 3.31Å
54	T	91.5	Very high	85.2	Confident	48 Å²	48	79.1 Å²	79.1	29%	0.294	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.7	175.3	-51.9	0	0	0	0	108.3	G23 T24 D25 V69 K70	G23-T54 VanDerWaalsContact CA-CG2 3.47Å; T24-T54 WeakPolarHBondContact O-CA 3.4Å; D25-T54 PolarHBondContact OD1-OG1 3.44Å; T54-V69 CarbonylContact O-C 3.38Å; T54-V69 WeakPolarHBondContact O-CA 3.48Å; T54-K70 PolarHBondContact N-O 3.43Å; T54-K70 PolarHBondContact O-N 3.48Å
55	V	92.9	Very high	85.3	Confident	8 Å²	8	79.2 Å²	79.2	5%	0.048	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.2	171	176.3	0	0	0	0	109.5	P20 T21 P22 G23 T24 V26 I67 C68 V69	P20-V55 HydrophobicContact CB-CG1 4.45Å; P20-V55 HydrophobicContact CB-CG2 3.95Å; P20-V55 HydrophobicContact CG-CG1 4.46Å; P20-V55 HydrophobicContact CG-CG2 4.08Å; T21-V55 WeakPolarHBondContact O-CG1 3.49Å; P22-V55 CarbonylContact C-O 3.54Å; P22-V55 WeakPolarHBondContact CA-O 3.28Å; G23-V55 PolarHBondContact N-O 2.78Å; T24-V55 PolarHBondContact O-N 3.14Å; V26-V55 HydrophobicContact CG1-CG2 3.9Å; V26-V55 HydrophobicContact CG2-CG2 4.17Å; V55-I67 HydrophobicContact CG1-CG2 4.05Å; V55-I67 HydrophobicContact CG2-CG2 3.96Å; V55-C68 WeakPolarHBondContact CA-O 3.46Å; V55-V69 HydrophobicContact CG2-CG1 4.32Å
56	T	91.5	Very high	85.6	Confident	35 Å²	35	79.3 Å²	79.3	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.5	-178.8	-179.7	0	0	0	0	109.6	C68 K70 L109	T56-C68 HydrophobicContact CG2-CB 4.17Å; T56-C68 PolarHBondContact N-O 3.34Å; T56-K70 HydrophobicContact CG2-CB 4.21Å; T56-L109 HydrophobicContact CG2-CD1 3.62Å
57	E	90.4	Very high	86	Confident	139 Å²	139	76.5 Å²	76.5	65%	0.65	37%	0.369	S	S	*	.			trans	-63.4	138.2	169.2	-63.1	-179.2	170.9	0	0	110.9	P22	P22-E57 HydrophobicContact CB-CG 4.42Å; P22-E57 HydrophobicContact CG-CG 3.79Å
58	C	86.8	Confident	86.2	Confident	37 Å²	37	72.7 Å²	72.7	25%	0.25	35%	0.349	C	S	.	.			trans	-72.2	126.5	170.3	-60.8	0	0	0	0	109.4	H60 T62 C68	C58-H60 VanDerWaalsContact C-N 3.34Å; C58-H60 PolarHBondContact O-N 3.05Å; C58-T62 HydrophobicContact CB-CG2 3.87Å; C58-C68 WeakPolarHBondContact CA-SG 3.21Å; C58-C68 HydrophobicContact CB-CB 4.04Å; C58-C68 WeakPolarHBondContact CB-SG 3.32Å; C58-C68 WeakPolarHBondContact SG-CB 3.13Å; C58-C68 CovalentContact SG-SG 2.03Å; C58-C68 PolarHBondContact SG-SG 3.31Å
59	R	83.8	Confident	86.3	Confident	222 Å²	222	68.1 Å²	68.1	84%	0.838	33%	0.325	S	S	*	.			trans	-97.4	26.1	-174.3	-62.6	-175	177.8	-172	-3.7	113.5
60	H	82.4	Confident	86.5	Confident	64 Å²	64	73.8 Å²	73.8	30%	0.296	35%	0.35	S	S	.	.	S	Bend	trans	-142.6	164.1	178.1	55.8	86.1	0	0	0	108.9	C58 T62 E111	C58-H60 VanDerWaalsContact C-N 3.34Å; C58-H60 PolarHBondContact O-N 3.05Å; H60-T62 WeakPolarHBondContact O-CG2 3.37Å; H60-T62 PolarHBondContact O-N 3.02Å; H60-E111 VanDerWaalsContact CE1-CD 3.48Å; H60-E111 IonicContact CE1-OE1 2.92Å; H60-E111 PolarHBondContact CE1-OE1 3.39Å; H60-E111 IonicContact CE1-OE2 3.9Å; H60-E111 IonicContact NE2-OE1 3.05Å; H60-E111 PolarHBondContact NE2-OE1 3.12Å
61	E	80.8	Confident	86.2	Confident	178 Å²	178	71 Å²	71	83%	0.832	34%	0.343	S	S	*	.			trans	-60.5	137.6	170.8	-68.5	-174.8	178.6	0	0	109.9
62	T	78.2	Confident	85.6	Confident	43 Å²	43	72.1 Å²	72.1	26%	0.264	35%	0.354	S	S	.	.			trans	-130.2	139.5	178.3	79.3	0	0	0	0	109.3	C58 H60 P66	C58-T62 HydrophobicContact CB-CG2 3.87Å; H60-T62 WeakPolarHBondContact O-CG2 3.37Å; H60-T62 PolarHBondContact O-N 3.02Å; T62-P66 VanDerWaalsContact CB-CD 3.41Å; T62-P66 HydrophobicContact CG2-CG 3.81Å; T62-P66 WeakPolarHBondContact OG1-CD 3.38Å
63	H	74.1	Confident	84.2	Confident	184 Å²	184	71.1 Å²	71.1	85%	0.852	37%	0.367	S	S	*	.	S	Bend	trans	-91.5	-17.7	177.1	-61.7	-60.1	0	0	0	113.1
64	V	79.7	Confident	82.4	Confident	105 Å²	105	78 Å²	78	64%	0.636	40%	0.403	S	S	*	.	S	Bend	trans	-131.1	11.4	-167.9	-63.4	0	0	0	0	114.6
65	N	86.8	Confident	80.2	Confident	91 Å²	91	77.9 Å²	77.9	49%	0.487	40%	0.404	S	S	.	.			trans	48.5	61.4	-177.1	-65.1	-29.8	0	0	0	113.2	R117	N65-R117 PolarHBondContact O-NE 3.09Å
66	P	91	Very high	78	Confident	16 Å²	16	80.3 Å²	80.3	10%	0.104	43%	0.431	C	S	.	.			trans	-66.1	166.8	178	31.3	-34.4	0	0	0	111.4	T62 E111 Y112	T62-P66 VanDerWaalsContact CB-CD 3.41Å; T62-P66 HydrophobicContact CG2-CG 3.81Å; T62-P66 WeakPolarHBondContact OG1-CD 3.38Å; P66-E111 HydrophobicContact CB-CB 4.42Å; P66-E111 HydrophobicContact CG-CG 4.45Å; P66-Y112 WeakPolarHBondContact CA-O 3.37Å; P66-Y112 WeakPolarHBondContact CB-O 3.37Å
67	I	92.5	Very high	76.4	Confident	9 Å²	9	81.3 Å²	81.3	5%	0.046	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.4	168.4	-57.9	164.7	0	0	0	107.1	P20 V55 V69 L88 L97 Y112	P20-I67 HydrophobicContact CG-CD1 3.84Å; P20-I67 HydrophobicContact CG-CG1 4.17Å; P20-I67 HydrophobicContact CG-CG2 4.14Å; V55-I67 HydrophobicContact CG1-CG2 4.05Å; V55-I67 HydrophobicContact CG2-CG2 3.96Å; I67-V69 HydrophobicContact CG2-CG1 4.07Å; I67-L88 HydrophobicContact CB-CD2 4.48Å; I67-L88 HydrophobicContact CD1-CD2 4.47Å; I67-L88 HydrophobicContact CG2-CD2 3.74Å; I67-L97 HydrophobicContact CD1-CB 4.48Å; I67-Y112 PolarHBondContact N-O 3.42Å; I67-Y112 PolarHBondContact O-N 2.95Å
68	C	90.6	Very high	74.9	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.007	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.3	171.2	-67.1	0	0	0	0	109.9	V55 T56 C58 L109	V55-C68 WeakPolarHBondContact CA-O 3.46Å; T56-C68 HydrophobicContact CG2-CB 4.17Å; T56-C68 PolarHBondContact N-O 3.34Å; C58-C68 WeakPolarHBondContact CA-SG 3.21Å; C58-C68 HydrophobicContact CB-CB 4.04Å; C58-C68 WeakPolarHBondContact CB-SG 3.32Å; C58-C68 WeakPolarHBondContact SG-CB 3.13Å; C58-C68 CovalentContact SG-SG 2.03Å; C58-C68 PolarHBondContact SG-SG 3.31Å; C68-L109 HydrophobicContact CB-CB 4.45Å
69	V	89.5	Confident	73.9	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148	179	-51	0	0	0	0	110.7	V26 I28 A53 T54 V55 I67 L88 P110 Y112	V26-V69 HydrophobicContact CG2-CG1 4.23Å; I28-V69 HydrophobicContact CD1-CG2 3.91Å; A53-V69 HydrophobicContact CB-CB 4.17Å; A53-V69 HydrophobicContact CB-CG2 4.24Å; T54-V69 CarbonylContact O-C 3.38Å; T54-V69 WeakPolarHBondContact O-CA 3.48Å; V55-V69 HydrophobicContact CG2-CG1 4.32Å; I67-V69 HydrophobicContact CG2-CG1 4.07Å; V69-L88 HydrophobicContact CG1-CD1 4.04Å; V69-L88 HydrophobicContact CG1-CD2 3.84Å; V69-P110 HydrophobicContact CG2-CB 4.11Å; V69-P110 HydrophobicContact CG2-CG 3.79Å; V69-P110 PolarHBondContact N-O 3.24Å; V69-P110 VanDerWaalsContact N-O 3.11Å; V69-P110 VanDerWaalsContact O-CD 3.27Å; V69-P110 WeakPolarHBondContact O-CD 3.49Å; V69-Y112 HydrophobicContact CB-CE2 4.44Å; V69-Y112 HydrophobicContact CG1-CD2 4.14Å; V69-Y112 HydrophobicContact CG1-CE2 4.03Å; V69-Y112 HydrophobicContact CG2-CD2 4.3Å; V69-Y112 HydrophobicContact CG2-CE2 3.53Å
70	K	86.7	Confident	73.2	Confident	135 Å²	135	68.6 Å²	68.6	59%	0.587	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.9	171.1	-174.8	-178.8	177.9	-176.8	0	108.3	A53 T54 T56 L109	A53-K70 CarbonylContact C-O 3.53Å; A53-K70 VanDerWaalsContact CA-O 3.28Å; A53-K70 WeakPolarHBondContact CA-O 3.36Å; A53-K70 VanDerWaalsContact CB-O 3.32Å; A53-K70 WeakPolarHBondContact CB-O 3.31Å; T54-K70 PolarHBondContact N-O 3.43Å; T54-K70 PolarHBondContact O-N 3.48Å; T56-K70 HydrophobicContact CG2-CB 4.21Å; K70-L109 HydrophobicContact CB-CD2 4.14Å; K70-L109 HydrophobicContact CG-CD2 4.33Å
71	A	80.5	Confident	72.7	Confident	27 Å²	27	66 Å²	66	22%	0.223	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.8	173.6	0	0	0	0	0	110.5
72	G	72	Confident	72.7	Confident	23 Å²	23	58.2 Å²	58.2	24%	0.237	35%	0.345	C	S	.	.			trans	-68.8	149.6	-179.9	0	0	0	0	0	112.3	R52 N74	R52-G72 PolarHBondContact O-N 3.05Å; G72-N74 VanDerWaalsContact C-N 3.27Å; G72-N74 PolarHBondContact O-N 2.92Å
73	P	57.1	Low	73	Confident	126 Å²	126	58.8 Å²	58.8	82%	0.818	35%	0.346	S	S	*	.	S	Bend	trans	-72	-10.5	-173.5	26.5	-33.8	0	0	0	115.2
74	N	51.2	Low	73.5	Confident	147 Å²	147	55.8 Å²	55.8	79%	0.786	34%	0.336	S	S	*	.	S	Bend	trans	-142.3	67.8	-158.4	-82.5	-29.7	0	0	0	115.1	G72	G72-N74 VanDerWaalsContact C-N 3.27Å; G72-N74 PolarHBondContact O-N 2.92Å
75	S	45.2	Very low	74	Confident	45 Å²	45	53.4 Å²	53.4	32%	0.315	33%	0.333	S	S	.	.	S	Bend	trans	-172.7	139.3	161.6	43.5	0	0	0	0	109.4	Q77	S75-Q77 VanDerWaalsContact CB-CG 3.42Å; S75-Q77 WeakPolarHBondContact O-CA 3.47Å; S75-Q77 WeakPolarHBondContact O-CB 3.47Å; S75-Q77 PolarHBondContact O-N 2.62Å; S75-Q77 WeakPolarHBondContact OG-CB 3.39Å; S75-Q77 WeakPolarHBondContact OG-CG 3.45Å; S75-Q77 PolarHBondContact OG-OE1 3.47Å
76	G	47.8	Very low	74.2	Confident	60 Å²	60	49.6 Å²	49.6	62%	0.619	32%	0.315	S	S	*	.	S	Bend	trans	-61.8	69.2	171.1	0	0	0	0	0	111.4
77	Q	57.8	Low	74.3	Confident	55 Å²	55	50.8 Å²	50.8	26%	0.257	32%	0.323	S	S	.	.	S	Bend	trans	-147.1	149.9	-162.8	-71.3	-173.6	10.5	0	0	106.5	K50 S75 L79	K50-Q77 WeakPolarHBondContact O-CB 3.42Å; K50-Q77 VanDerWaalsContact O-CD 3.22Å; K50-Q77 WeakPolarHBondContact O-CG 3.21Å; K50-Q77 PolarHBondContact O-OE1 3.12Å; S75-Q77 VanDerWaalsContact CB-CG 3.42Å; S75-Q77 WeakPolarHBondContact O-CA 3.47Å; S75-Q77 WeakPolarHBondContact O-CB 3.47Å; S75-Q77 PolarHBondContact O-N 2.62Å; S75-Q77 WeakPolarHBondContact OG-CB 3.39Å; S75-Q77 WeakPolarHBondContact OG-CG 3.45Å; S75-Q77 PolarHBondContact OG-OE1 3.47Å; Q77-L79 PolarHBondContact O-N 3.1Å; Q77-L79 VanDerWaalsContact O-N 3.12Å
78	L	59.4	Low	74.4	Confident	11 Å²	11	50.3 Å²	50.3	6%	0.058	32%	0.321	C	S	.	.			trans	-42.9	116.4	-172.1	-66.9	167.9	0	0	0	112.4	I28 D34 K49	I28-L78 HydrophobicContact CG2-CD1 4.25Å; D34-L78 HydrophobicContact CB-CD2 3.87Å; K49-L78 HydrophobicContact CB-CD1 3.82Å; K49-L78 HydrophobicContact CB-CD2 3.75Å; K49-L78 HydrophobicContact CB-CG 3.64Å; K49-L78 HydrophobicContact CD-CD2 3.8Å; K49-L78 HydrophobicContact CG-CD2 4.41Å
79	L	64.5	Low	74.6	Confident	99 Å²	99	50.9 Å²	50.9	52%	0.518	32%	0.324	S	S	.	.	S	Bend	trans	-73.6	-19.9	169.5	-64.3	-172.6	0	0	0	112	N36 Q77	N36-L79 WeakPolarHBondContact ND2-CD1 3.49Å; Q77-L79 PolarHBondContact O-N 3.1Å; Q77-L79 VanDerWaalsContact O-N 3.12Å
80	G	68.9	Low	74.8	Confident	22 Å²	22	53 Å²	53	23%	0.227	34%	0.338	C	S	.	.	S	Bend	trans	-92.5	-178.1	179.7	0	0	0	0	0	113.6	G82	G80-G82 PolarHBondContact O-N 2.78Å; G80-G82 VanDerWaalsContact O-N 3.1Å
81	P	72.6	Confident	75	Confident	10 Å²	10	48.4 Å²	48.4	7%	0.065	32%	0.322	C	S	.	.			trans	-72.4	2.7	-179.8	17	-7.4	0	0	0	113.9	I28 V100 G103 V104 P110 Y112	I28-P81 WeakPolarHBondContact CG2-O 3.17Å; P81-V100 HydrophobicContact CB-CG1 3.76Å; P81-V100 HydrophobicContact CB-CG2 4.06Å; P81-V100 HydrophobicContact CG-CG1 4.15Å; P81-V100 WeakPolarHBondContact O-CG2 3.48Å; P81-G103 VanDerWaalsContact CG-CA 3.5Å; P81-V104 HydrophobicContact CG-CG2 3.97Å; P81-P110 HydrophobicContact CB-CB 3.54Å; P81-P110 HydrophobicContact CB-CG 4.45Å; P81-P110 HydrophobicContact CG-CB 4Å; P81-Y112 WeakPolarHBondContact CA-OH 3.43Å; P81-Y112 HydrophobicContact CB-CE2 4.43Å; P81-Y112 PolarHBondContact O-OH 2.86Å
82	G	80.8	Confident	75.3	Confident	13 Å²	13	50.4 Å²	50.4	13%	0.134	33%	0.333	C	S	.	.			trans	74.6	-159	-155.5	0	0	0	0	0	110.2	G80	G80-G82 PolarHBondContact O-N 2.78Å; G80-G82 VanDerWaalsContact O-N 3.1Å
83	D	83.5	Confident	76.1	Confident	55 Å²	55	56 Å²	56	29%	0.294	35%	0.353	S	S	.	.	S	Bend	trans	-89.8	149.7	-174.6	-56.4	-29.5	0	0	0	111.1	G30 Y31 G32 G85 G86 V100	G30-D83 WeakPolarHBondContact CA-OD2 3.45Å; Y31-D83 PolarHBondContact N-OD2 2.87Å; G32-D83 WeakPolarHBondContact CA-OD1 3.47Å; G32-D83 PolarHBondContact N-OD1 3.24Å; G32-D83 PolarHBondContact N-OD2 2.7Å; D83-G85 PolarHBondContact O-N 3.44Å; D83-G86 WeakPolarHBondContact O-CA 3.14Å; D83-G86 PolarHBondContact O-N 3.07Å; D83-V100 WeakPolarHBondContact O-CB 3.15Å; D83-V100 WeakPolarHBondContact O-CG2 3.44Å
84	N	86	Confident	77.7	Confident	121 Å²	121	50.4 Å²	50.4	65%	0.647	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131.5	173.4	-69.6	-23.9	0	0	0	110.6	G86 G103	N84-G86 PolarHBondContact O-N 3.17Å; N84-G103 PolarHBondContact OD1-N 3.23Å
85	G	88.9	Confident	79.8	Confident	55 Å²	55	44.7 Å²	44.7	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-4.1	-171.8	0	0	0	0	0	114.8	D83 V100	D83-G85 PolarHBondContact O-N 3.44Å; G85-V100 PolarHBondContact N-O 3.11Å
86	G	90.8	Very high	82.2	Confident	11 Å²	11	43.7 Å²	43.7	11%	0.113	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-70.9	156.2	175.9	0	0	0	0	0	113	D83 N84 V99 V100	D83-G86 WeakPolarHBondContact O-CA 3.14Å; D83-G86 PolarHBondContact O-N 3.07Å; N84-G86 PolarHBondContact O-N 3.17Å; G86-V99 WeakPolarHBondContact O-CA 3.1Å; G86-V100 WeakPolarHBondContact O-CG2 3.45Å; G86-V100 PolarHBondContact O-N 2.78Å
87	P	93.8	Very high	84.5	Confident	41 Å²	41	41.3 Å²	41.3	27%	0.266	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.7	-176.3	34.4	-35.2	0	0	0	113	V29 L89 V96	V29-P87 HydrophobicContact CG2-CG 3.7Å; P87-L89 HydrophobicContact CB-CD2 3.89Å; P87-L89 HydrophobicContact CB-CG 4.05Å; P87-L89 HydrophobicContact CG-CD1 4.2Å; P87-L89 HydrophobicContact CG-CD2 4.38Å; P87-L89 HydrophobicContact CG-CG 4.22Å; P87-V96 HydrophobicContact CB-CG1 3.85Å; P87-V96 HydrophobicContact CB-CG2 4.33Å
88	L	93.9	Very high	86.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127	159.4	-166.8	68.3	0	0	0	109.3	V26 I28 I67 V69 L97 G98 Y112	V26-L88 HydrophobicContact CB-CD1 3.91Å; V26-L88 HydrophobicContact CB-CG 4.1Å; V26-L88 HydrophobicContact CG1-CD2 4.39Å; V26-L88 HydrophobicContact CG1-CG 4.28Å; V26-L88 HydrophobicContact CG2-CD1 3.73Å; V26-L88 HydrophobicContact CG2-CD2 4.47Å; V26-L88 HydrophobicContact CG2-CG 4.28Å; I28-L88 HydrophobicContact CG1-CD1 4.08Å; I67-L88 HydrophobicContact CB-CD2 4.48Å; I67-L88 HydrophobicContact CD1-CD2 4.47Å; I67-L88 HydrophobicContact CG2-CD2 3.74Å; V69-L88 HydrophobicContact CG1-CD1 4.04Å; V69-L88 HydrophobicContact CG1-CD2 3.84Å; L88-L97 PolarHBondContact O-N 3.42Å; L88-G98 PolarHBondContact N-O 2.9Å; L88-Y112 HydrophobicContact CB-CD1 3.55Å; L88-Y112 HydrophobicContact CB-CE1 3.61Å; L88-Y112 HydrophobicContact CB-CG 4.18Å; L88-Y112 HydrophobicContact CD1-CD1 4.37Å; L88-Y112 HydrophobicContact CD1-CE1 3.83Å; L88-Y112 HydrophobicContact CD1-CE2 4.13Å; L88-Y112 HydrophobicContact CD2-CD1 4.39Å; L88-Y112 HydrophobicContact CD2-CD2 4.33Å; L88-Y112 HydrophobicContact CD2-CG 4.2Å; L88-Y112 HydrophobicContact CG-CD1 4.33Å; L88-Y112 HydrophobicContact CG-CE1 4.23Å
89	L	94.8	Very high	87.9	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	-170.4	-57.6	171.3	0	0	0	111.3	V11 V26 F27 V29 P87 S91 V96	V11-L89 HydrophobicContact CG1-CD2 4.02Å; V26-L89 CarbonylContact C-O 3.6Å; V26-L89 WeakPolarHBondContact CA-O 3.35Å; F27-L89 HydrophobicContact CB-CB 4.38Å; F27-L89 PolarHBondContact N-O 3.21Å; F27-L89 PolarHBondContact O-N 2.86Å; F27-L89 VanDerWaalsContact O-N 3.08Å; V29-L89 HydrophobicContact CG2-CD1 4.4Å; P87-L89 HydrophobicContact CB-CD2 3.89Å; P87-L89 HydrophobicContact CB-CG 4.05Å; P87-L89 HydrophobicContact CG-CD1 4.2Å; P87-L89 HydrophobicContact CG-CD2 4.38Å; P87-L89 HydrophobicContact CG-CG 4.22Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 WeakPolarHBondContact CB-O 3.49Å; L89-V96 HydrophobicContact CD2-CG2 4.14Å
90	P	94	Very high	89.2	Confident	46 Å²	46	36.1 Å²	36.1	30%	0.299	23%	0.231	S	C	.	.	S	Bend	trans	-80.1	-24.4	172.6	29.8	-24.8	0	0	0	111.2	F27 P95 L97	F27-P90 WeakPolarHBondContact CE2-O 3.46Å; P90-P95 WeakPolarHBondContact CD-O 3.37Å; P90-P95 HydrophobicContact CG-CG 4.37Å; P90-L97 HydrophobicContact CB-CD1 3.89Å; P90-L97 HydrophobicContact CG-CD1 3.93Å; P90-L97 HydrophobicContact CG-CD2 4.43Å; P90-L97 HydrophobicContact CG-CG 4.1Å
91	S	92	Very high	89.9	Confident	37 Å²	37	37.8 Å²	37.8	26%	0.259	24%	0.239	S	C	.	.	S	Bend	trans	-141.5	158.8	176.1	83.2	0	0	0	0	109.6	L89 Q93 G94	L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 WeakPolarHBondContact CB-O 3.49Å; S91-Q93 PolarHBondContact O-N 2.93Å; S91-Q93 PolarHBondContact OG-N 3.47Å; S91-G94 PolarHBondContact O-N 2.8Å; S91-G94 PolarHBondContact OG-N 3.45Å; S91-G94 PolarHBondContact OG-O 2.76Å
92	P	85.5	Confident	89.9	Confident	70 Å²	70	41.6 Å²	41.6	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.4	175.5	-20.9	33.3	0	0	0	114.3	F27	F27-P92 HydrophobicContact CE2-CG 4.42Å
93	Q	88.6	Confident	88.8	Confident	139 Å²	139	42.2 Å²	42.2	65%	0.65	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.7	178.6	-65.4	75.1	37.4	0	0	113.3	S91	S91-Q93 PolarHBondContact O-N 2.93Å; S91-Q93 PolarHBondContact OG-N 3.47Å
94	G	91.3	Very high	87.3	Confident	9 Å²	9	42.1 Å²	42.1	9%	0.093	26%	0.263	C	S	.	.			trans	98.9	-165.6	-177.4	0	0	0	0	0	115.2	S91	S91-G94 PolarHBondContact O-N 2.8Å; S91-G94 PolarHBondContact OG-N 3.45Å; S91-G94 PolarHBondContact OG-O 2.76Å
95	P	95.7	Very high	85.4	Confident	27 Å²	27	39.7 Å²	39.7	18%	0.175	25%	0.253	C	S	.	.			cis	-68.3	172.5	-2.2	29.7	-37.4	0	0	0	113.8	S12 P14 P90 L97	S12-P95 VanDerWaalsContact O-CA 3.31Å; S12-P95 WeakPolarHBondContact O-CA 3.22Å; S12-P95 WeakPolarHBondContact O-CB 3.31Å; P14-P95 HydrophobicContact CB-CB 4.18Å; P14-P95 HydrophobicContact CB-CG 4.29Å; P90-P95 WeakPolarHBondContact CD-O 3.37Å; P90-P95 HydrophobicContact CG-CG 4.37Å; P95-L97 HydrophobicContact CG-CD2 4.31Å; P95-L97 PolarHBondContact O-N 3.02Å
96	V	95.8	Very high	83.5	Confident	24 Å²	24	45.9 Å²	45.9	15%	0.145	27%	0.272	C	S	.	.			trans	-77.6	102.3	171.1	-173.3	0	0	0	0	109.7	V11 S12 P14 P87 L89 G98 V99 V115	V11-V96 HydrophobicContact CB-CG2 3.89Å; V11-V96 HydrophobicContact CG1-CG2 3.56Å; S12-V96 PolarHBondContact O-N 2.92Å; S12-V96 VanDerWaalsContact O-N 3.08Å; P14-V96 WeakPolarHBondContact CD-O 3.3Å; P14-V96 VanDerWaalsContact CG-O 3.32Å; P14-V96 WeakPolarHBondContact CG-O 3.33Å; P87-V96 HydrophobicContact CB-CG1 3.85Å; P87-V96 HydrophobicContact CB-CG2 4.33Å; L89-V96 HydrophobicContact CD2-CG2 4.14Å; V96-G98 WeakPolarHBondContact CG1-O 3.5Å; V96-V99 HydrophobicContact CG1-CG2 4.27Å; V96-V115 HydrophobicContact CG1-CG2 3.99Å; V96-V115 WeakPolarHBondContact O-CB 3.27Å
97	L	96.3	Very high	81.8	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.052	30%	0.296	C	S	.	.			trans	-74.9	-40.5	-179.8	-64.3	176	0	0	0	112	D18 P20 V26 I67 L88 P90 P95 V115	D18-L97 HydrophobicContact CB-CD2 4.18Å; D18-L97 WeakPolarHBondContact O-CD2 3.42Å; P20-L97 HydrophobicContact CB-CD1 4.33Å; P20-L97 HydrophobicContact CG-CD1 4.32Å; V26-L97 HydrophobicContact CG1-CD1 4.06Å; I67-L97 HydrophobicContact CD1-CB 4.48Å; L88-L97 PolarHBondContact O-N 3.42Å; P90-L97 HydrophobicContact CB-CD1 3.89Å; P90-L97 HydrophobicContact CG-CD1 3.93Å; P90-L97 HydrophobicContact CG-CD2 4.43Å; P90-L97 HydrophobicContact CG-CG 4.1Å; P95-L97 HydrophobicContact CG-CD2 4.31Å; P95-L97 PolarHBondContact O-N 3.02Å; L97-V115 PolarHBondContact O-N 3.38Å
98	G	94.5	Very high	80.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	162.4	-175.4	0	0	0	0	0	112.3	L88 V96 V113	L88-G98 PolarHBondContact N-O 2.9Å; V96-G98 WeakPolarHBondContact CG1-O 3.5Å; G98-V113 CarbonylContact C-O 3.59Å; G98-V113 WeakPolarHBondContact CA-O 3.23Å
99	V	94	Very high	79.1	Confident	51 Å²	51	54.8 Å²	54.8	31%	0.309	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.6	173.4	177.3	0	0	0	0	108.2	G86 V96 S101 Y112 V113 V115	G86-V99 WeakPolarHBondContact O-CA 3.1Å; V96-V99 HydrophobicContact CG1-CG2 4.27Å; V99-S101 PolarHBondContact O-N 3.27Å; V99-Y112 CarbonylContact O-C 3.55Å; V99-Y112 WeakPolarHBondContact O-CA 3.26Å; V99-V113 PolarHBondContact N-O 3.4Å; V99-V113 PolarHBondContact O-N 2.89Å; V99-V115 HydrophobicContact CG2-CG2 3.83Å
100	V	91.1	Very high	78.4	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	116.9	-179.5	-179.8	0	0	0	0	109	P81 D83 G85 G86 Y112	P81-V100 HydrophobicContact CB-CG1 3.76Å; P81-V100 HydrophobicContact CB-CG2 4.06Å; P81-V100 HydrophobicContact CG-CG1 4.15Å; P81-V100 WeakPolarHBondContact O-CG2 3.48Å; D83-V100 WeakPolarHBondContact O-CB 3.15Å; D83-V100 WeakPolarHBondContact O-CG2 3.44Å; G85-V100 PolarHBondContact N-O 3.11Å; G86-V100 WeakPolarHBondContact O-CG2 3.45Å; G86-V100 PolarHBondContact O-N 2.78Å; V100-Y112 HydrophobicContact CB-CD1 4.3Å; V100-Y112 HydrophobicContact CB-CE1 4.19Å; V100-Y112 HydrophobicContact CG2-CD1 3.74Å; V100-Y112 HydrophobicContact CG2-CE1 3.19Å
101	S	83.8	Confident	78.1	Confident	57 Å²	57	54.3 Å²	54.3	40%	0.399	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-30.8	178.7	54.6	0	0	0	0	112.5	V99 E111	V99-S101 PolarHBondContact O-N 3.27Å; S101-E111 PolarHBondContact N-O 3.23Å; S101-E111 VanDerWaalsContact N-O 3.11Å; S101-E111 PolarHBondContact OG-O 3.21Å
102	H	72.6	Confident	78.1	Confident	91 Å²	91	52.6 Å²	52.6	42%	0.421	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	115	175.8	-164.1	-93.6	0	0	0	110.5	E111	H102-E111 HydrophobicContact CB-CB 4.41Å; H102-E111 PolarHBondContact N-O 2.86Å
103	G	58	Low	78.5	Confident	26 Å²	26	51.5 Å²	51.5	27%	0.268	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-66.6	137.6	172.3	0	0	0	0	0	111.4	P81 N84 T105	P81-G103 VanDerWaalsContact CG-CA 3.5Å; N84-G103 PolarHBondContact OD1-N 3.23Å; G103-T105 PolarHBondContact O-N 3.01Å; G103-T105 VanDerWaalsContact O-N 3.11Å
104	V	51.4	Low	78.8	Confident	53 Å²	53	45.1 Å²	45.1	32%	0.321	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-49.4	117	-176.5	172.9	0	0	0	0	111.6	P81 P110	P81-V104 HydrophobicContact CG-CG2 3.97Å; V104-P110 HydrophobicContact CG2-CB 3.56Å; V104-P110 HydrophobicContact CG2-CG 3.42Å; V104-P110 VanDerWaalsContact CG2-CG 3.42Å
105	T	47	Very low	79	Confident	69 Å²	69	45.3 Å²	45.3	42%	0.423	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-83.7	135.2	141.1	51.2	0	0	0	0	106.4	G103 S107 H108	G103-T105 PolarHBondContact O-N 3.01Å; G103-T105 VanDerWaalsContact O-N 3.11Å; T105-S107 PolarHBondContact O-N 3.36Å; T105-H108 PolarHBondContact O-N 2.97Å
106	L	48.9	Very low	79	Confident	185 Å²	185	44.3 Å²	44.3	97%	0.969	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-10.8	-173.7	-73.1	160.1	0	0	0	115
107	S	54.3	Low	78.9	Confident	89 Å²	89	49.4 Å²	49.4	62%	0.622	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.5	176.7	54.4	0	0	0	0	114.8	T105	T105-S107 PolarHBondContact O-N 3.36Å
108	H	60	Low	78.8	Confident	102 Å²	102	52.7 Å²	52.7	47%	0.472	29%	0.289	S	S	.	.	S	Bend	trans	-128.8	146.6	-173.4	-58.2	-62.8	0	0	0	112.4	T105	T105-H108 PolarHBondContact O-N 2.97Å
109	L	70.7	Confident	78.8	Confident	48 Å²	48	53 Å²	53	25%	0.251	29%	0.291	S	S	.	.			trans	-64.1	140.7	173.2	-68.4	166.3	0	0	0	109	T56 C68 K70 E111	T56-L109 HydrophobicContact CG2-CD1 3.62Å; C68-L109 HydrophobicContact CB-CB 4.45Å; K70-L109 HydrophobicContact CB-CD2 4.14Å; K70-L109 HydrophobicContact CG-CD2 4.33Å; L109-E111 PolarHBondContact O-N 2.86Å
110	P	80.9	Confident	78.7	Confident	10 Å²	10	56.6 Å²	56.6	7%	0.065	31%	0.308	C	S	.	.			trans	-58.9	136	174.7	6.1	-11.5	0	0	0	112.6	V69 P81 V104 Y112	V69-P110 HydrophobicContact CG2-CB 4.11Å; V69-P110 HydrophobicContact CG2-CG 3.79Å; V69-P110 PolarHBondContact N-O 3.24Å; V69-P110 VanDerWaalsContact N-O 3.11Å; V69-P110 VanDerWaalsContact O-CD 3.27Å; V69-P110 WeakPolarHBondContact O-CD 3.49Å; P81-P110 HydrophobicContact CB-CB 3.54Å; P81-P110 HydrophobicContact CB-CG 4.45Å; P81-P110 HydrophobicContact CG-CB 4Å; V104-P110 HydrophobicContact CG2-CB 3.56Å; V104-P110 HydrophobicContact CG2-CG 3.42Å; V104-P110 VanDerWaalsContact CG2-CG 3.42Å; P110-Y112 HydrophobicContact CB-CE2 4.26Å
111	E	87.6	Confident	78.8	Confident	39 Å²	39	62.4 Å²	62.4	18%	0.182	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.4	-177.2	-73.1	179.8	-133.6	0	0	112.2	H60 P66 S101 H102 L109	H60-E111 VanDerWaalsContact CE1-CD 3.48Å; H60-E111 IonicContact CE1-OE1 2.92Å; H60-E111 PolarHBondContact CE1-OE1 3.39Å; H60-E111 IonicContact CE1-OE2 3.9Å; H60-E111 IonicContact NE2-OE1 3.05Å; H60-E111 PolarHBondContact NE2-OE1 3.12Å; P66-E111 HydrophobicContact CB-CB 4.42Å; P66-E111 HydrophobicContact CG-CG 4.45Å; S101-E111 PolarHBondContact N-O 3.23Å; S101-E111 VanDerWaalsContact N-O 3.11Å; S101-E111 PolarHBondContact OG-O 3.21Å; H102-E111 HydrophobicContact CB-CB 4.41Å; H102-E111 PolarHBondContact N-O 2.86Å; L109-E111 PolarHBondContact O-N 2.86Å
112	Y	92.3	Very high	79.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.4	176	-61.6	-110.8	0	0	0	110.1	I28 P66 I67 V69 P81 L88 V99 V100 P110 S114	I28-Y112 WeakPolarHBondContact CD1-OH 3.46Å; I28-Y112 WeakPolarHBondContact CG1-OH 3.49Å; P66-Y112 WeakPolarHBondContact CA-O 3.37Å; P66-Y112 WeakPolarHBondContact CB-O 3.37Å; I67-Y112 PolarHBondContact N-O 3.42Å; I67-Y112 PolarHBondContact O-N 2.95Å; V69-Y112 HydrophobicContact CB-CE2 4.44Å; V69-Y112 HydrophobicContact CG1-CD2 4.14Å; V69-Y112 HydrophobicContact CG1-CE2 4.03Å; V69-Y112 HydrophobicContact CG2-CD2 4.3Å; V69-Y112 HydrophobicContact CG2-CE2 3.53Å; P81-Y112 WeakPolarHBondContact CA-OH 3.43Å; P81-Y112 HydrophobicContact CB-CE2 4.43Å; P81-Y112 PolarHBondContact O-OH 2.86Å; L88-Y112 HydrophobicContact CB-CD1 3.55Å; L88-Y112 HydrophobicContact CB-CE1 3.61Å; L88-Y112 HydrophobicContact CB-CG 4.18Å; L88-Y112 HydrophobicContact CD1-CD1 4.37Å; L88-Y112 HydrophobicContact CD1-CE1 3.83Å; L88-Y112 HydrophobicContact CD1-CE2 4.13Å; L88-Y112 HydrophobicContact CD2-CD1 4.39Å; L88-Y112 HydrophobicContact CD2-CD2 4.33Å; L88-Y112 HydrophobicContact CD2-CG 4.2Å; L88-Y112 HydrophobicContact CG-CD1 4.33Å; L88-Y112 HydrophobicContact CG-CE1 4.23Å; V99-Y112 CarbonylContact O-C 3.55Å; V99-Y112 WeakPolarHBondContact O-CA 3.26Å; V100-Y112 HydrophobicContact CB-CD1 4.3Å; V100-Y112 HydrophobicContact CB-CE1 4.19Å; V100-Y112 HydrophobicContact CG2-CD1 3.74Å; V100-Y112 HydrophobicContact CG2-CE1 3.19Å; P110-Y112 HydrophobicContact CB-CE2 4.26Å; Y112-S114 PolarHBondContact O-N 2.69Å
113	V	93.2	Very high	80.2	Confident	48 Å²	48	63 Å²	63	29%	0.291	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.1	166.5	165.8	0	0	0	0	108.6	G98 V99 V115 M118	G98-V113 CarbonylContact C-O 3.59Å; G98-V113 WeakPolarHBondContact CA-O 3.23Å; V99-V113 PolarHBondContact N-O 3.4Å; V99-V113 PolarHBondContact O-N 2.89Å; V113-V115 PolarHBondContact O-N 3.24Å; V113-M118 HydrophobicContact CG1-CG 4.07Å; V113-M118 HydrophobicContact CG1-SD 3.3Å; V113-M118 WeakPolarHBondContact CG1-SD 3.35Å
114	S	94.4	Very high	82	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.028	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	111.2	-178.9	178.3	0	0	0	0	111.6	Y112 A116 R117 M118	Y112-S114 PolarHBondContact O-N 2.69Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 2.79Å; S114-R117 PolarHBondContact O-N 3.34Å; S114-R117 VanDerWaalsContact O-N 3.1Å; S114-R117 WeakPolarHBondContact OG-CG 3.39Å; S114-M118 PolarHBondContact O-N 3.39Å
115	V	95.9	Very high	84	Confident	13 Å²	13	69.3 Å²	69.3	8%	0.079	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38.2	-179.9	179.4	0	0	0	0	111.1	L13 P14 V96 L97 V99 V113 R117 M118 L119	L13-V115 HydrophobicContact CD2-CG1 4.13Å; P14-V115 HydrophobicContact CG-CB 3.86Å; P14-V115 HydrophobicContact CG-CG1 3.69Å; V96-V115 HydrophobicContact CG1-CG2 3.99Å; V96-V115 WeakPolarHBondContact O-CB 3.27Å; L97-V115 PolarHBondContact O-N 3.38Å; V99-V115 HydrophobicContact CG2-CG2 3.83Å; V113-V115 PolarHBondContact O-N 3.24Å; V115-R117 PolarHBondContact O-N 3.05Å; V115-M118 CarbonylContact O-C 3.58Å; V115-M118 PolarHBondContact O-N 3.11Å; V115-L119 WeakPolarHBondContact O-CA 3.14Å; V115-L119 PolarHBondContact O-N 3.47Å
116	A	96.4	Very high	85.8	Confident	7 Å²	7	74.3 Å²	74.3	6%	0.058	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.6	175.9	0	0	0	0	0	112.7	P14 Q15 I19 S114 L119	P14-A116 HydrophobicContact CB-CB 4.32Å; P14-A116 HydrophobicContact CG-CB 4.12Å; Q15-A116 WeakPolarHBondContact O-CB 3.44Å; I19-A116 HydrophobicContact CG1-CB 3.89Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 2.79Å; A116-L119 WeakPolarHBondContact O-CB 3.36Å
117	R	94	Very high	87.7	Confident	131 Å²	131	68.8 Å²	68.8	49%	0.494	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-27.9	177.9	-67	-178.5	-169.6	-77.9	0.5	112.2	I19 N65 S114 V115	I19-R117 HydrophobicContact CD1-CG 4.12Å; N65-R117 PolarHBondContact O-NE 3.09Å; S114-R117 PolarHBondContact O-N 3.34Å; S114-R117 VanDerWaalsContact O-N 3.1Å; S114-R117 WeakPolarHBondContact OG-CG 3.39Å; V115-R117 PolarHBondContact O-N 3.05Å
118	M	93.2	Very high	89.4	Confident	79 Å²	79	67.7 Å²	67.7	39%	0.389	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.4	176.3	-63	-159.7	76.4	0	0	113.3	V113 S114 V115 N120 F121 V122	V113-M118 HydrophobicContact CG1-CG 4.07Å; V113-M118 HydrophobicContact CG1-SD 3.3Å; V113-M118 WeakPolarHBondContact CG1-SD 3.35Å; S114-M118 PolarHBondContact O-N 3.39Å; V115-M118 CarbonylContact O-C 3.58Å; V115-M118 PolarHBondContact O-N 3.11Å; M118-N120 VanDerWaalsContact C-N 3.28Å; M118-N120 PolarHBondContact O-N 3.39Å; M118-N120 VanDerWaalsContact O-N 3.16Å; M118-F121 HydrophobicContact CE-CB 4.46Å; M118-F121 HydrophobicContact CE-CD1 3.81Å; M118-F121 HydrophobicContact CE-CE1 4.34Å; M118-F121 HydrophobicContact CE-CG 4.19Å; M118-F121 WeakPolarHBondContact O-CA 3.22Å; M118-F121 WeakPolarHBondContact O-CB 3.44Å; M118-F121 PolarHBondContact O-N 2.82Å; M118-V122 HydrophobicContact CB-CG2 4.41Å; M118-V122 WeakPolarHBondContact O-CG2 3.4Å; M118-V122 PolarHBondContact O-N 2.75Å
119	L	94.5	Very high	91.1	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-57.6	-39.3	-168.1	-174.6	61.8	0	0	0	113	L13 P14 A16 V115 A116 V122 R123	L13-L119 HydrophobicContact CB-CD1 4.07Å; L13-L119 HydrophobicContact CD1-CD1 4.07Å; P14-L119 WeakPolarHBondContact O-CD2 3.44Å; A16-L119 HydrophobicContact CB-CD2 4.27Å; V115-L119 WeakPolarHBondContact O-CA 3.14Å; V115-L119 PolarHBondContact O-N 3.47Å; A116-L119 WeakPolarHBondContact O-CB 3.36Å; L119-V122 PolarHBondContact O-N 3.27Å; L119-R123 HydrophobicContact CD1-CG 4.29Å; L119-R123 HydrophobicContact CG-CG 4.47Å; L119-R123 WeakPolarHBondContact O-CB 3.17Å; L119-R123 VanDerWaalsContact O-CG 3.31Å; L119-R123 WeakPolarHBondContact O-CG 3.38Å; L119-R123 PolarHBondContact O-N 3.42Å
120	N	93.4	Very high	92.3	Very high	127 Å²	127	66.8 Å²	66.8	68%	0.679	34%	0.337	S	S	*	.	H	α-helix	trans	-64.2	-44.8	175.9	-71.3	-14	0	0	0	111.7	M118 V122 R123 S124	M118-N120 VanDerWaalsContact C-N 3.28Å; M118-N120 PolarHBondContact O-N 3.39Å; M118-N120 VanDerWaalsContact O-N 3.16Å; N120-V122 PolarHBondContact O-N 2.98Å; N120-R123 PolarHBondContact O-N 3.28Å; N120-S124 WeakPolarHBondContact O-CB 3.02Å; N120-S124 PolarHBondContact O-N 3.1Å; N120-S124 PolarHBondContact O-OG 3.44Å; N120-S124 VanDerWaalsContact O-OG 3.05Å
121	F	93.3	Very high	93	Very high	126 Å²	126	70.4 Å²	70.4	55%	0.553	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-45.6	176.3	174.3	-95.6	0	0	0	111.2	M118 S124 N125	M118-F121 HydrophobicContact CE-CB 4.46Å; M118-F121 HydrophobicContact CE-CD1 3.81Å; M118-F121 HydrophobicContact CE-CE1 4.34Å; M118-F121 HydrophobicContact CE-CG 4.19Å; M118-F121 WeakPolarHBondContact O-CA 3.22Å; M118-F121 WeakPolarHBondContact O-CB 3.44Å; M118-F121 PolarHBondContact O-N 2.82Å; F121-S124 PolarHBondContact O-N 3.29Å; F121-N125 PolarHBondContact O-N 2.93Å; F121-N125 PolarHBondContact O-ND2 2.79Å
122	V	93.1	Very high	93.3	Very high	39 Å²	39	72.5 Å²	72.5	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-48.9	177.9	175.4	0	0	0	0	110.7	L13 M118 L119 N120 S124 N125 I126	L13-V122 HydrophobicContact CD1-CG1 3.92Å; L13-V122 HydrophobicContact CD2-CG1 3.91Å; M118-V122 HydrophobicContact CB-CG2 4.41Å; M118-V122 WeakPolarHBondContact O-CG2 3.4Å; M118-V122 PolarHBondContact O-N 2.75Å; L119-V122 PolarHBondContact O-N 3.27Å; N120-V122 PolarHBondContact O-N 2.98Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 2.63Å; V122-N125 PolarHBondContact O-N 3.03Å; V122-N125 VanDerWaalsContact O-N 3.14Å; V122-I126 PolarHBondContact O-N 3.12Å
123	R	92.5	Very high	93.4	Very high	122 Å²	122	77.6 Å²	77.6	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-31.4	-179.2	-76	179.3	176.8	177.1	0.8	113.6	L13 L119 N120 N125	L13-R123 HydrophobicContact CD1-CG 4.45Å; L119-R123 HydrophobicContact CD1-CG 4.29Å; L119-R123 HydrophobicContact CG-CG 4.47Å; L119-R123 WeakPolarHBondContact O-CB 3.17Å; L119-R123 VanDerWaalsContact O-CG 3.31Å; L119-R123 WeakPolarHBondContact O-CG 3.38Å; L119-R123 PolarHBondContact O-N 3.42Å; N120-R123 PolarHBondContact O-N 3.28Å; R123-N125 VanDerWaalsContact C-N 3.26Å; R123-N125 PolarHBondContact O-N 3.45Å
124	S	94.8	Very high	93.4	Very high	100 Å²	100	79.9 Å²	79.9	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.4	177.7	-62.3	0	0	0	0	114.2	N120 F121 V122	N120-S124 WeakPolarHBondContact O-CB 3.02Å; N120-S124 PolarHBondContact O-N 3.1Å; N120-S124 PolarHBondContact O-OG 3.44Å; N120-S124 VanDerWaalsContact O-OG 3.05Å; F121-S124 PolarHBondContact O-N 3.29Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 2.63Å
125	N	93.3	Very high	93.3	Very high	111 Å²	111	86.3 Å²	86.3	59%	0.594	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	12.6	-175.6	-72.1	-85.7	0	0	0	113.5	F121 V122 R123	F121-N125 PolarHBondContact O-N 2.93Å; F121-N125 PolarHBondContact O-ND2 2.79Å; V122-N125 PolarHBondContact O-N 3.03Å; V122-N125 VanDerWaalsContact O-N 3.14Å; R123-N125 VanDerWaalsContact C-N 3.26Å; R123-N125 PolarHBondContact O-N 3.45Å
126	I	85.6	Confident	93.1	Very high	174 Å²	174	92.9 Å²	92.9	89%	0.892	46%	0.462	S	S	*	.			trans	-115.9	0	172.8	60.5	175.2	0	0	0	110.3	L13 V122	L13-I126 HydrophobicContact CD1-CD1 4.24Å; V122-I126 PolarHBondContact O-N 3.12Å

Retrieved 126 of 126 residues in 39 ms (Link to these results)

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