A0A5K4F645_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F645, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 130 aa.

						>A0A5K4F645_SCHMA|A0A5K4F645
MVNLQSGIRVISLPQPSDIPPPGTGVFIVGYGRDDNDRDPSRKNGGILKKGRATIMECRHATNGNPICVKAGQNFGQLPAPGDSGGPLLPSPQGPVLGVVSHGVTLPNLPDIIVEYASVARMLDFVRSNI
					

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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	64.8	Low	82.2	Confident	247 Å²	247	126.7 Å²	126.7	100%	1.217	69%	0.689	S	S	*	*				0	129.7	0	-159.4	177.1	-145	0	0	107.8
2	V	77.3	Confident	83.3	Confident	95 Å²	95	122 Å²	122	58%	0.576	67%	0.673	S	S	*	*			trans	-93.2	134.4	-177.7	179.2	0	0	0	0	109.1	L4 I8	V2-L4 HydrophobicContact CG1-CD2 4.34Å; V2-L4 PolarHBondContact O-N 3.49Å; V2-I8 HydrophobicContact CG1-CB 4.47Å; V2-I8 HydrophobicContact CG1-CD1 3.32Å; V2-I8 HydrophobicContact CG1-CG1 4.44Å; V2-I8 HydrophobicContact CG1-CG2 3.85Å
3	N	81.3	Confident	84.3	Confident	95 Å²	95	117.3 Å²	117.3	51%	0.508	65%	0.646	S	S	.	*			trans	-76.1	108.7	175.4	-174.4	-7.2	0	0	0	110	Q5	N3-Q5 VanDerWaalsContact C-N 3.28Å; N3-Q5 PolarHBondContact O-N 2.92Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.23Å; N3-Q5 VanDerWaalsContact OD1-CG 3.23Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.17Å; N3-Q5 PolarHBondContact OD1-N 3.45Å
4	L	84.5	Confident	85.2	Confident	102 Å²	102	108.9 Å²	108.9	53%	0.534	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	2.1	-179.5	-58	-179.4	0	0	0	113.9	V2 S6 I8 V10	V2-L4 HydrophobicContact CG1-CD2 4.34Å; V2-L4 PolarHBondContact O-N 3.49Å; L4-S6 PolarHBondContact O-N 3.27Å; L4-I8 HydrophobicContact CD2-CB 4.38Å; L4-I8 HydrophobicContact CD2-CG2 3.76Å; L4-V10 HydrophobicContact CD1-CG2 4.32Å; L4-V10 HydrophobicContact CD2-CG2 4Å
5	Q	75.9	Confident	85.9	Confident	174 Å²	174	108.1 Å²	108.1	81%	0.813	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-18.8	-171.6	-65.2	176.6	-19.2	0	0	114.1	N3	N3-Q5 VanDerWaalsContact C-N 3.28Å; N3-Q5 PolarHBondContact O-N 2.92Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.23Å; N3-Q5 VanDerWaalsContact OD1-CG 3.23Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.17Å; N3-Q5 PolarHBondContact OD1-N 3.45Å
6	S	83.1	Confident	86.4	Confident	93 Å²	93	106.3 Å²	106.3	65%	0.65	59%	0.585	S	S	*	*	S	Bend	trans	-152.3	139.5	173.6	63.8	0	0	0	0	112.2	L4 I8	L4-S6 PolarHBondContact O-N 3.27Å; S6-I8 PolarHBondContact O-N 3.09Å
7	G	81.6	Confident	86.8	Confident	92 Å²	92	105.9 Å²	105.9	95%	0.948	59%	0.591	S	S	*	*	S	Bend	trans	69.4	-9.4	172.4	0	0	0	0	0	116.9
8	I	87.8	Confident	87.2	Confident	81 Å²	81	103.3 Å²	103.3	42%	0.415	58%	0.576	S	S	.	*			trans	-117.9	127.8	-175.3	-56.3	-177.9	0	0	0	110.1	V2 L4 S6	V2-I8 HydrophobicContact CG1-CB 4.47Å; V2-I8 HydrophobicContact CG1-CD1 3.32Å; V2-I8 HydrophobicContact CG1-CG1 4.44Å; V2-I8 HydrophobicContact CG1-CG2 3.85Å; L4-I8 HydrophobicContact CD2-CB 4.38Å; L4-I8 HydrophobicContact CD2-CG2 3.76Å; S6-I8 PolarHBondContact O-N 3.09Å
9	R	86.9	Confident	87.5	Confident	234 Å²	234	101.1 Å²	101.1	88%	0.883	56%	0.562	S	S	*	*			trans	-127.7	135.5	171.8	-68.2	-177.2	-178.9	-92.1	-0.8	109.3
10	V	89.4	Confident	87.8	Confident	119 Å²	119	97.1 Å²	97.1	72%	0.721	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-78.5	131.8	171.5	-177.9	0	0	0	0	108.2	L4	L4-V10 HydrophobicContact CD1-CG2 4.32Å; L4-V10 HydrophobicContact CD2-CG2 4Å
11	I	92.1	Very high	88.1	Confident	62 Å²	62	96.4 Å²	96.4	32%	0.318	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-93.2	137.6	174.8	-58.6	-179.6	0	0	0	108.4	L89 V96	I11-L89 HydrophobicContact CD1-CD2 4.19Å; I11-L89 HydrophobicContact CG2-CD2 4.39Å; I11-V96 HydrophobicContact CB-CG2 4.09Å; I11-V96 HydrophobicContact CG2-CG2 3.65Å
12	S	94.6	Very high	89.5	Confident	70 Å²	70	87.6 Å²	87.6	49%	0.49	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-70.2	151.3	-178.4	58.6	0	0	0	0	112.6	P95 V96	S12-P95 WeakPolarHBondContact O-CA 2.79Å; S12-P95 VanDerWaalsContact O-CB 3.32Å; S12-P95 WeakPolarHBondContact O-CB 3.33Å; S12-V96 PolarHBondContact O-N 3.17Å; S12-V96 VanDerWaalsContact O-N 3.16Å
13	L	96.7	Very high	90.3	Very high	61 Å²	61	85.9 Å²	85.9	32%	0.319	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-67.2	148.2	163	-65	176.3	0	0	0	109.9	V119 L123 V126 R127 I130	L13-V119 HydrophobicContact CD2-CG1 4.02Å; L13-L123 HydrophobicContact CB-CD1 3.91Å; L13-L123 HydrophobicContact CD1-CD1 3.89Å; L13-L123 HydrophobicContact CG-CD1 4.39Å; L13-V126 HydrophobicContact CD1-CG1 3.91Å; L13-V126 HydrophobicContact CD2-CG1 3.9Å; L13-R127 HydrophobicContact CD1-CG 4.44Å; L13-I130 HydrophobicContact CD1-CD1 4.42Å
14	P	96.9	Very high	91	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-70.5	161.4	171.4	31.5	-34	0	0	0	110.7	D18 P95 V96 V119 A120 L123	P14-D18 WeakPolarHBondContact CA-OD2 3.32Å; P14-D18 HydrophobicContact CB-CB 3.85Å; P14-P95 HydrophobicContact CB-CB 4.14Å; P14-P95 HydrophobicContact CB-CG 4.2Å; P14-V96 WeakPolarHBondContact CD-O 3.36Å; P14-V96 WeakPolarHBondContact CG-O 3.19Å; P14-V119 VanDerWaalsContact CD-CG1 3.48Å; P14-V119 HydrophobicContact CG-CB 3.88Å; P14-V119 HydrophobicContact CG-CG1 3.71Å; P14-A120 HydrophobicContact CB-CB 4.25Å; P14-A120 HydrophobicContact CG-CB 4Å; P14-L123 WeakPolarHBondContact O-CD2 3.15Å
15	Q	95.8	Very high	91.4	Very high	96 Å²	96	81 Å²	81	45%	0.449	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-81.1	159.8	161.3	-59.2	-55.9	-39.4	0	0	110.4	S17 D18	Q15-S17 PolarHBondContact O-N 3.1Å; Q15-S17 VanDerWaalsContact O-N 3.1Å; Q15-D18 PolarHBondContact N-OD2 3.16Å; Q15-D18 WeakPolarHBondContact O-CB 3.43Å; Q15-D18 PolarHBondContact O-N 2.77Å
16	P	93.2	Very high	92.2	Very high	80 Å²	80	72.8 Å²	72.8	52%	0.519	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.4	174.2	-26.8	36.1	0	0	0	113.8	D18 L123	P16-D18 VanDerWaalsContact C-N 3.34Å; P16-L123 HydrophobicContact CG-CD2 3.88Å
17	S	93.5	Very high	92.6	Very high	99 Å²	99	70 Å²	70	69%	0.692	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14	176.7	54.1	0	0	0	0	114.5	Q15 I19	Q15-S17 PolarHBondContact O-N 3.1Å; Q15-S17 VanDerWaalsContact O-N 3.1Å; S17-I19 PolarHBondContact O-N 2.95Å; S17-I19 VanDerWaalsContact O-N 3.09Å
18	D	94.2	Very high	93	Very high	59 Å²	59	65.8 Å²	65.8	32%	0.316	39%	0.385	S	S	.	.			trans	-82.7	20.5	-174.2	-60.8	-18.4	0	0	0	112.2	P14 Q15 P16 P20 L97	P14-D18 WeakPolarHBondContact CA-OD2 3.32Å; P14-D18 HydrophobicContact CB-CB 3.85Å; Q15-D18 PolarHBondContact N-OD2 3.16Å; Q15-D18 WeakPolarHBondContact O-CB 3.43Å; Q15-D18 PolarHBondContact O-N 2.77Å; P16-D18 VanDerWaalsContact C-N 3.34Å; D18-P20 WeakPolarHBondContact O-CD 3.48Å; D18-L97 HydrophobicContact CB-CD2 4.3Å; D18-L97 WeakPolarHBondContact O-CD2 3.43Å
19	I	92.5	Very high	93	Very high	62 Å²	62	63.3 Å²	63.3	32%	0.318	37%	0.374	S	S	.	.			trans	-70.6	112.8	171.3	-62.2	171.5	0	0	0	107.3	S17 A120 R121	S17-I19 PolarHBondContact O-N 2.95Å; S17-I19 VanDerWaalsContact O-N 3.09Å; I19-A120 HydrophobicContact CG1-CB 3.75Å; I19-R121 HydrophobicContact CD1-CG 3.81Å
20	P	93.2	Very high	93.1	Very high	20 Å²	20	52.4 Å²	52.4	13%	0.13	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-77.3	138.7	-171.4	33.4	-38.1	0	0	0	111.1	D18 T24 I55 L97	D18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-T24 HydrophobicContact CB-CG2 3.97Å; P20-I55 HydrophobicContact CB-CD1 3.41Å; P20-I55 VanDerWaalsContact CB-CD1 3.41Å; P20-I55 HydrophobicContact CG-CD1 3.14Å; P20-I55 HydrophobicContact CG-CG1 4.25Å; P20-L97 HydrophobicContact CB-CD1 4.5Å; P20-L97 HydrophobicContact CG-CD1 4.16Å
21	P	94.7	Very high	93.1	Very high	84 Å²	84	52.4 Å²	52.4	55%	0.545	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-71.1	159.4	175.7	29.2	-34.4	0	0	0	111.8	T24	P21-T24 WeakPolarHBondContact CD-OG1 3.35Å; P21-T24 VanDerWaalsContact O-CB 3.23Å; P21-T24 WeakPolarHBondContact O-CB 3.42Å; P21-T24 PolarHBondContact O-N 3.32Å; P21-T24 PolarHBondContact O-OG1 3.21Å
22	P	94.3	Very high	92.6	Very high	62 Å²	62	50.3 Å²	50.3	40%	0.403	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	146	168.5	-18.6	24.8	0	0	0	112.5	T24 E57	P22-T24 VanDerWaalsContact C-N 3.27Å; P22-E57 HydrophobicContact CB-CG 4.28Å; P22-E57 VanDerWaalsContact CG-CD 3.47Å; P22-E57 HydrophobicContact CG-CG 3.69Å; P22-E57 WeakPolarHBondContact CG-OE1 3.37Å
23	G	94	Very high	92	Very high	58 Å²	58	54.2 Å²	54.2	60%	0.598	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-9.5	-174.1	0	0	0	0	0	113.9	G25 I55	G23-G25 PolarHBondContact O-N 2.99Å; G23-I55 PolarHBondContact N-O 2.88Å
24	T	95.4	Very high	91.3	Very high	41 Å²	41	52.1 Å²	52.1	25%	0.252	31%	0.309	S	S	.	.			trans	-66.5	126.2	176.3	-58.8	0	0	0	0	110.9	P20 P21 P22 V26 T54 I55	P20-T24 HydrophobicContact CB-CG2 3.97Å; P21-T24 WeakPolarHBondContact CD-OG1 3.35Å; P21-T24 VanDerWaalsContact O-CB 3.23Å; P21-T24 WeakPolarHBondContact O-CB 3.42Å; P21-T24 PolarHBondContact O-N 3.32Å; P21-T24 PolarHBondContact O-OG1 3.21Å; P22-T24 VanDerWaalsContact C-N 3.27Å; T24-V26 HydrophobicContact CG2-CG1 4.35Å; T24-T54 WeakPolarHBondContact O-CA 3.32Å; T24-I55 HydrophobicContact CG2-CD1 4.04Å; T24-I55 PolarHBondContact O-N 2.95Å
25	G	93.1	Very high	90.5	Very high	53 Å²	53	56.2 Å²	56.2	55%	0.546	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.2	172.3	0	0	0	0	0	111.5	G23	G23-G25 PolarHBondContact O-N 2.99Å
26	V	93.8	Very high	89.7	Confident	2 Å²	2	58 Å²	58	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	165.7	-177.3	-73.1	0	0	0	0	111.1	T24 R52 A53 I55 V69 L88 L89 L97	T24-V26 HydrophobicContact CG2-CG1 4.35Å; V26-R52 WeakPolarHBondContact O-CA 3.36Å; V26-A53 HydrophobicContact CG2-CB 4.11Å; V26-A53 WeakPolarHBondContact CG2-O 3.39Å; V26-A53 PolarHBondContact N-O 2.93Å; V26-A53 PolarHBondContact O-N 3.26Å; V26-I55 HydrophobicContact CG1-CD1 3.46Å; V26-I55 VanDerWaalsContact CG1-CD1 3.46Å; V26-I55 HydrophobicContact CG1-CG1 4.19Å; V26-I55 HydrophobicContact CG2-CD1 4.26Å; V26-I55 HydrophobicContact CG2-CG1 4.07Å; V26-V69 HydrophobicContact CG2-CG1 4.33Å; V26-L88 HydrophobicContact CB-CD1 3.98Å; V26-L88 HydrophobicContact CB-CG 4.25Å; V26-L88 HydrophobicContact CG1-CG 4.46Å; V26-L88 HydrophobicContact CG2-CD1 3.63Å; V26-L88 HydrophobicContact CG2-CG 4.24Å; V26-L89 CarbonylContact C-O 3.58Å; V26-L89 WeakPolarHBondContact CA-O 3.22Å; V26-L97 HydrophobicContact CG1-CD1 4.03Å
27	F	91.4	Very high	89.1	Confident	36 Å²	36	55.1 Å²	55.1	16%	0.158	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.8	175.2	-59.7	-69.1	0	0	0	110.4	K50 G51 R52 L89 P90	F27-K50 HydrophobicContact CD1-CD 4.27Å; F27-K50 HydrophobicContact CD1-CG 4.31Å; F27-G51 WeakPolarHBondContact CA-O 3.04Å; F27-R52 HydrophobicContact CD1-CG 4.14Å; F27-R52 HydrophobicContact CE1-CG 3.97Å; F27-L89 HydrophobicContact CB-CB 4.38Å; F27-L89 PolarHBondContact N-O 2.72Å; F27-L89 PolarHBondContact O-N 2.03Å; F27-P90 WeakPolarHBondContact CE2-O 3.03Å
28	I	89.2	Confident	88.8	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.3	169.1	60.9	175.6	0	0	0	107.6	K50 G51 A53 L78 A80 L88 Y116	I28-K50 WeakPolarHBondContact O-CA 3.4Å; I28-G51 PolarHBondContact N-O 3.21Å; I28-G51 VanDerWaalsContact N-O 3.11Å; I28-G51 PolarHBondContact O-N 3.3Å; I28-A53 HydrophobicContact CG2-CB 4Å; I28-L78 HydrophobicContact CD1-CB 4.46Å; I28-L78 HydrophobicContact CG1-CD1 4.25Å; I28-A80 WeakPolarHBondContact CD1-O 3.5Å; I28-L88 HydrophobicContact CG2-CD1 3.85Å; I28-Y116 WeakPolarHBondContact CG2-OH 3.35Å
29	V	88.5	Confident	88.5	Confident	29 Å²	29	61.7 Å²	61.7	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.1	179.6	-64.6	0	0	0	0	109.8	L48 K49 K50 G82 P87 L89	V29-L48 HydrophobicContact CB-CD1 4.32Å; V29-K49 VanDerWaalsContact CA-O 3.3Å; V29-K49 WeakPolarHBondContact CA-O 3.23Å; V29-K50 HydrophobicContact CG1-CB 4.27Å; V29-K50 HydrophobicContact CG1-CG 4.22Å; V29-G82 WeakPolarHBondContact O-CA 3.32Å; V29-P87 HydrophobicContact CG2-CG 3.75Å; V29-L89 HydrophobicContact CG2-CD1 4.4Å
30	G	89.3	Confident	88.2	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.1	161.6	-179.9	0	0	0	0	0	110.6	K49 D83	G30-K49 PolarHBondContact N-O 2.8Å; G30-K49 PolarHBondContact O-N 2.88Å; G30-D83 VanDerWaalsContact CA-OD2 3.3Å; G30-D83 WeakPolarHBondContact CA-OD2 3.49Å
31	Y	88	Confident	88	Confident	120 Å²	120	67 Å²	67	47%	0.471	37%	0.373	S	S	.	.			trans	-90.2	-42.1	171	-65	-89.2	0	0	0	110.4	L48 D83	Y31-L48 HydrophobicContact CD1-CB 4.12Å; Y31-L48 HydrophobicContact CD2-CD1 4.15Å; Y31-L48 HydrophobicContact CE1-CB 3.62Å; Y31-L48 HydrophobicContact CE1-CD1 4.34Å; Y31-L48 HydrophobicContact CE2-CD1 3.87Å; Y31-L48 HydrophobicContact CG-CD1 4.49Å; Y31-D83 PolarHBondContact N-OD2 2.67Å
32	G	81.8	Confident	87.6	Confident	17 Å²	17	67.9 Å²	67.9	18%	0.175	37%	0.365	C	S	.	.			trans	43.8	-168.2	168.1	0	0	0	0	0	117.9	G45 D83	G32-G45 PolarHBondContact O-N 3.29Å; G32-D83 WeakPolarHBondContact CA-OD1 3.39Å; G32-D83 PolarHBondContact N-OD1 2.83Å; G32-D83 PolarHBondContact N-OD2 3.46Å
33	R	83.3	Confident	87.1	Confident	153 Å²	153	68.2 Å²	68.2	58%	0.577	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-89	122.6	168.1	-175.5	174.9	176.7	119.8	3	109.5	D35 K43	R33-D35 IonicContact CZ-OD1 3.21Å; R33-D35 VanDerWaalsContact NE-CG 3.31Å; R33-D35 IonicContact NE-OD1 3.85Å; R33-D35 PolarHBondContact NE-OD1 3.33Å; R33-D35 IonicContact NE-OD2 2.82Å; R33-D35 PolarHBondContact NE-OD2 2.99Å; R33-D35 VanDerWaalsContact NE-OD2 3.09Å; R33-D35 IonicContact NH2-OD1 2.78Å; R33-D35 PolarHBondContact NH2-OD1 3.48Å; R33-K43 CarbonylContact C-O 3.44Å; R33-K43 WeakPolarHBondContact CA-O 3.34Å
34	D	80.5	Confident	86.7	Confident	16 Å²	16	70.9 Å²	70.9	9%	0.086	36%	0.361	C	S	.	.			trans	-117.5	90.4	172.1	-174.8	4.7	0	0	0	109.7	N36 D37 K43 K49	D34-N36 PolarHBondContact O-N 3.1Å; D34-N36 VanDerWaalsContact O-N 3.15Å; D34-N36 WeakPolarHBondContact OD1-CB 3.42Å; D34-N36 PolarHBondContact OD1-N 3.48Å; D34-D37 HydrophobicContact CB-CB 4.25Å; D34-D37 PolarHBondContact O-N 3.34Å; D34-D37 VanDerWaalsContact O-N 3.11Å; D34-D37 PolarHBondContact OD1-N 2.92Å; D34-K43 PolarHBondContact N-O 3.4Å; D34-K49 WeakPolarHBondContact OD2-CE 3.42Å; D34-K49 IonicContact OD2-NZ 2.66Å; D34-K49 PolarHBondContact OD2-NZ 3.47Å
35	D	80.5	Confident	86	Confident	87 Å²	87	70.9 Å²	70.9	47%	0.465	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.3	178	-75.4	-52.8	0	0	0	113.2	R33	R33-D35 IonicContact CZ-OD1 3.21Å; R33-D35 VanDerWaalsContact NE-CG 3.31Å; R33-D35 IonicContact NE-OD1 3.85Å; R33-D35 PolarHBondContact NE-OD1 3.33Å; R33-D35 IonicContact NE-OD2 2.82Å; R33-D35 PolarHBondContact NE-OD2 2.99Å; R33-D35 VanDerWaalsContact NE-OD2 3.09Å; R33-D35 IonicContact NH2-OD1 2.78Å; R33-D35 PolarHBondContact NH2-OD1 3.48Å
36	N	78.6	Confident	85.6	Confident	132 Å²	132	69.6 Å²	69.6	71%	0.706	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.3	177.2	-59.2	-56.7	0	0	0	113.1	D34 R38	D34-N36 PolarHBondContact O-N 3.1Å; D34-N36 VanDerWaalsContact O-N 3.15Å; D34-N36 WeakPolarHBondContact OD1-CB 3.42Å; D34-N36 PolarHBondContact OD1-N 3.48Å; N36-R38 PolarHBondContact O-N 2.86Å
37	D	82	Confident	85.2	Confident	21 Å²	21	73.8 Å²	73.8	11%	0.112	38%	0.378	C	S	.	.			trans	-66.9	129.7	175.6	-155.9	-51.3	0	0	0	110	D34 D39 R42	D34-D37 HydrophobicContact CB-CB 4.25Å; D34-D37 PolarHBondContact O-N 3.34Å; D34-D37 VanDerWaalsContact O-N 3.11Å; D34-D37 PolarHBondContact OD1-N 2.92Å; D37-D39 PolarHBondContact O-N 3.4Å; D37-D39 PolarHBondContact OD1-N 2.81Å; D37-R42 HydrophobicContact CB-CB 4.34Å; D37-R42 WeakPolarHBondContact OD2-CB 3.44Å
38	R	85.8	Confident	85.1	Confident	249 Å²	249	76.4 Å²	76.4	94%	0.94	39%	0.393	S	S	*	.	S	Bend	trans	-70.1	-24.4	-179	-66.8	-176	-179.5	177.6	-0.1	112	N36 P40	N36-R38 PolarHBondContact O-N 2.86Å; R38-P40 WeakPolarHBondContact O-CD 3.49Å
39	D	88.1	Confident	84.9	Confident	46 Å²	46	77.7 Å²	77.7	25%	0.246	40%	0.398	C	S	.	.	S	Bend	trans	-93.5	110.8	175.3	-173.4	-20.9	0	0	0	109.4	D37 S41 R42	D37-D39 PolarHBondContact O-N 3.4Å; D37-D39 PolarHBondContact OD1-N 2.81Å; D39-S41 PolarHBondContact O-N 3.08Å; D39-S41 VanDerWaalsContact O-N 3.08Å; D39-S41 WeakPolarHBondContact OD1-CB 3.36Å; D39-S41 PolarHBondContact OD1-N 3Å; D39-S41 PolarHBondContact OD1-OG 3.14Å; D39-S41 PolarHBondContact OD2-OG 3.29Å; D39-R42 HydrophobicContact CB-CB 4.23Å; D39-R42 HydrophobicContact CB-CG 4.03Å; D39-R42 VanDerWaalsContact CB-NE 3.35Å; D39-R42 PolarHBondContact O-N 3.3Å; D39-R42 IonicContact OD2-CZ 3.17Å; D39-R42 IonicContact OD2-NE 2.79Å; D39-R42 PolarHBondContact OD2-NE 2.93Å; D39-R42 IonicContact OD2-NH2 2.76Å; D39-R42 PolarHBondContact OD2-NH2 3.27Å
40	P	87.6	Confident	84.8	Confident	98 Å²	98	80.3 Å²	80.3	64%	0.636	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.7	-179.9	-25.5	35.6	0	0	0	113.7	R38 R42 K43	R38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-R42 PolarHBondContact O-N 3.36Å; P40-K43 PolarHBondContact O-N 2.89Å
41	S	88.5	Confident	84.6	Confident	95 Å²	95	80.2 Å²	80.2	66%	0.664	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-70.4	-19.5	177.9	71.8	0	0	0	0	113.1	D39	D39-S41 PolarHBondContact O-N 3.08Å; D39-S41 VanDerWaalsContact O-N 3.08Å; D39-S41 WeakPolarHBondContact OD1-CB 3.36Å; D39-S41 PolarHBondContact OD1-N 3Å; D39-S41 PolarHBondContact OD1-OG 3.14Å; D39-S41 PolarHBondContact OD2-OG 3.29Å
42	R	86	Confident	84.7	Confident	103 Å²	103	81.9 Å²	81.9	39%	0.389	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-96.9	-6.5	-179.5	-67.4	-179	-133.8	171.7	8	113.9	D37 D39 P40 N44 G46	D37-R42 HydrophobicContact CB-CB 4.34Å; D37-R42 WeakPolarHBondContact OD2-CB 3.44Å; D39-R42 HydrophobicContact CB-CB 4.23Å; D39-R42 HydrophobicContact CB-CG 4.03Å; D39-R42 VanDerWaalsContact CB-NE 3.35Å; D39-R42 PolarHBondContact O-N 3.3Å; D39-R42 IonicContact OD2-CZ 3.17Å; D39-R42 IonicContact OD2-NE 2.79Å; D39-R42 PolarHBondContact OD2-NE 2.93Å; D39-R42 IonicContact OD2-NH2 2.76Å; D39-R42 PolarHBondContact OD2-NH2 3.27Å; P40-R42 PolarHBondContact O-N 3.36Å; R42-N44 PolarHBondContact O-N 2.74Å; R42-N44 VanDerWaalsContact O-N 3.16Å; R42-G46 WeakPolarHBondContact O-CA 3.42Å; R42-G46 PolarHBondContact O-N 2.9Å
43	K	84.7	Confident	85	Confident	69 Å²	69	81.2 Å²	81.2	30%	0.3	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.7	-178.4	-74.2	-171.5	172	-167.7	0	113.5	R33 D34 P40	R33-K43 CarbonylContact C-O 3.44Å; R33-K43 WeakPolarHBondContact CA-O 3.34Å; D34-K43 PolarHBondContact N-O 3.4Å; P40-K43 PolarHBondContact O-N 2.89Å
44	N	84.9	Confident	85.4	Confident	114 Å²	114	77.1 Å²	77.1	61%	0.61	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-120	94.8	176.4	-60.1	-45.9	0	0	0	108.7	R42	R42-N44 PolarHBondContact O-N 2.74Å; R42-N44 VanDerWaalsContact O-N 3.16Å
45	G	80.9	Confident	86	Confident	41 Å²	41	76.7 Å²	76.7	42%	0.423	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	21.5	173	0	0	0	0	0	115.7	G32	G32-G45 PolarHBondContact O-N 3.29Å
46	G	85.1	Confident	86.5	Confident	27 Å²	27	74 Å²	74	28%	0.278	38%	0.38	S	S	.	.			trans	-68.3	-99.9	-176.5	0	0	0	0	0	114.6	R42	R42-G46 WeakPolarHBondContact O-CA 3.42Å; R42-G46 PolarHBondContact O-N 2.9Å
47	I	85.4	Confident	87.2	Confident	89 Å²	89	73.3 Å²	73.3	46%	0.456	37%	0.372	S	S	.	.	S	Bend	trans	-92.2	137	-176	-60.8	172.1	0	0	0	109.3	K49	I47-K49 WeakPolarHBondContact O-CE 3.48Å; I47-K49 WeakPolarHBondContact O-CG 2.91Å; I47-K49 PolarHBondContact O-N 3.02Å
48	L	87.7	Confident	87.5	Confident	91 Å²	91	74.2 Å²	74.2	48%	0.476	38%	0.38	S	S	.	.			trans	-56.3	125.6	171.7	-179.1	67.2	0	0	0	110.1	V29 Y31	V29-L48 HydrophobicContact CB-CD1 4.32Å; Y31-L48 HydrophobicContact CD1-CB 4.12Å; Y31-L48 HydrophobicContact CD2-CD1 4.15Å; Y31-L48 HydrophobicContact CE1-CB 3.62Å; Y31-L48 HydrophobicContact CE1-CD1 4.34Å; Y31-L48 HydrophobicContact CE2-CD1 3.87Å; Y31-L48 HydrophobicContact CG-CD1 4.49Å
49	K	85.9	Confident	87.6	Confident	30 Å²	30	71.1 Å²	71.1	13%	0.13	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156.6	178	-53.1	-66.1	-179.7	157.4	0	111.2	V29 G30 D34 I47 Q77 L78	V29-K49 VanDerWaalsContact CA-O 3.3Å; V29-K49 WeakPolarHBondContact CA-O 3.23Å; G30-K49 PolarHBondContact N-O 2.8Å; G30-K49 PolarHBondContact O-N 2.88Å; D34-K49 WeakPolarHBondContact OD2-CE 3.42Å; D34-K49 IonicContact OD2-NZ 2.66Å; D34-K49 PolarHBondContact OD2-NZ 3.47Å; I47-K49 WeakPolarHBondContact O-CE 3.48Å; I47-K49 WeakPolarHBondContact O-CG 2.91Å; I47-K49 PolarHBondContact O-N 3.02Å; K49-Q77 HydrophobicContact CB-CB 4.41Å; K49-Q77 WeakPolarHBondContact CB-O 3.49Å; K49-Q77 WeakPolarHBondContact CG-O 3.06Å; K49-L78 HydrophobicContact CB-CD1 3.99Å; K49-L78 HydrophobicContact CB-CD2 3.63Å; K49-L78 HydrophobicContact CB-CG 3.49Å; K49-L78 VanDerWaalsContact CB-CG 3.49Å; K49-L78 HydrophobicContact CG-CD2 4.1Å; K49-L78 HydrophobicContact CG-CG 4.4Å
50	K	86.5	Confident	87.4	Confident	83 Å²	83	71 Å²	71	36%	0.361	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.6	178.6	-179.8	-179.1	175.5	-178.9	0	109.4	F27 I28 V29 Q77	F27-K50 HydrophobicContact CD1-CD 4.27Å; F27-K50 HydrophobicContact CD1-CG 4.31Å; I28-K50 WeakPolarHBondContact O-CA 3.4Å; V29-K50 HydrophobicContact CG1-CB 4.27Å; V29-K50 HydrophobicContact CG1-CG 4.22Å; K50-Q77 WeakPolarHBondContact O-CB 3.43Å; K50-Q77 PolarHBondContact O-OE1 3.24Å
51	G	85.7	Confident	87.4	Confident	4 Å²	4	71.1 Å²	71.1	4%	0.041	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	162.2	172	0	0	0	0	0	111.5	F27 I28	F27-G51 WeakPolarHBondContact CA-O 3.04Å; I28-G51 PolarHBondContact N-O 3.21Å; I28-G51 VanDerWaalsContact N-O 3.11Å; I28-G51 PolarHBondContact O-N 3.3Å
52	R	88.7	Confident	87.4	Confident	154 Å²	154	68.9 Å²	68.9	58%	0.581	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.4	164.8	-75	-177.1	171.7	176.4	-1.2	108.9	V26 F27 G72 F75	V26-R52 WeakPolarHBondContact O-CA 3.36Å; F27-R52 HydrophobicContact CD1-CG 4.14Å; F27-R52 HydrophobicContact CE1-CG 3.97Å; R52-G72 PolarHBondContact O-N 3.2Å; R52-F75 HydrophobicContact CB-CD2 4.39Å; R52-F75 HydrophobicContact CB-CE2 4.24Å
53	A	89.3	Confident	87.4	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.033	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166.6	176.1	0	0	0	0	0	110.2	V26 I28 V69 K70	V26-A53 HydrophobicContact CG2-CB 4.11Å; V26-A53 WeakPolarHBondContact CG2-O 3.39Å; V26-A53 PolarHBondContact N-O 2.93Å; V26-A53 PolarHBondContact O-N 3.26Å; I28-A53 HydrophobicContact CG2-CB 4Å; A53-V69 HydrophobicContact CB-CG1 3.31Å; A53-K70 CarbonylContact C-O 3.58Å; A53-K70 WeakPolarHBondContact CA-O 3.49Å; A53-K70 WeakPolarHBondContact CB-O 3.3Å
54	T	91.8	Very high	87.6	Confident	66 Å²	66	71.9 Å²	71.9	41%	0.405	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.1	179.4	-53	0	0	0	0	109	T24 K70	T24-T54 WeakPolarHBondContact O-CA 3.32Å; T54-K70 PolarHBondContact N-O 2.73Å; T54-K70 PolarHBondContact O-N 3.23Å
55	I	92.9	Very high	87.9	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.036	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141	172.9	-68.9	150.3	0	0	0	109.2	P20 G23 T24 V26 I67 C68 V69	P20-I55 HydrophobicContact CB-CD1 3.41Å; P20-I55 VanDerWaalsContact CB-CD1 3.41Å; P20-I55 HydrophobicContact CG-CD1 3.14Å; P20-I55 HydrophobicContact CG-CG1 4.25Å; G23-I55 PolarHBondContact N-O 2.88Å; T24-I55 HydrophobicContact CG2-CD1 4.04Å; T24-I55 PolarHBondContact O-N 2.95Å; V26-I55 HydrophobicContact CG1-CD1 3.46Å; V26-I55 VanDerWaalsContact CG1-CD1 3.46Å; V26-I55 HydrophobicContact CG1-CG1 4.19Å; V26-I55 HydrophobicContact CG2-CD1 4.26Å; V26-I55 HydrophobicContact CG2-CG1 4.07Å; I55-I67 HydrophobicContact CD1-CG2 4.48Å; I55-I67 HydrophobicContact CG1-CG2 3.94Å; I55-I67 HydrophobicContact CG2-CG2 4.02Å; I55-C68 WeakPolarHBondContact CA-O 3.37Å; I55-V69 HydrophobicContact CG1-CG2 4.1Å
56	M	91.4	Very high	88.5	Confident	31 Å²	31	69.4 Å²	69.4	15%	0.153	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.9	179.4	63.1	178.7	-68.7	0	0	110.8	C58 C68 K70 L109 I113	M56-C58 PolarHBondContact O-N 2.84Å; M56-C68 HydrophobicContact CG-CB 4.1Å; M56-C68 PolarHBondContact N-O 2.98Å; M56-K70 HydrophobicContact SD-CB 3.82Å; M56-L109 HydrophobicContact CE-CD1 3.84Å; M56-I113 HydrophobicContact CE-CD1 3.91Å; M56-I113 HydrophobicContact CE-CG1 4.34Å; M56-I113 HydrophobicContact SD-CD1 4.04Å; M56-I113 HydrophobicContact SD-CG1 3.82Å
57	E	91.6	Very high	88.9	Confident	118 Å²	118	68.5 Å²	68.5	55%	0.551	37%	0.37	S	S	*	.			trans	-59.8	137	167.3	-69.7	-62.4	165.1	0	0	110.5	P22 R59	P22-E57 HydrophobicContact CB-CG 4.28Å; P22-E57 VanDerWaalsContact CG-CD 3.47Å; P22-E57 HydrophobicContact CG-CG 3.69Å; P22-E57 WeakPolarHBondContact CG-OE1 3.37Å; E57-R59 PolarHBondContact O-N 2.88Å; E57-R59 VanDerWaalsContact O-N 3.15Å
58	C	89.7	Confident	89.3	Confident	40 Å²	40	64.3 Å²	64.3	27%	0.27	35%	0.349	S	S	.	.			trans	-71.9	105.7	171.9	-66.2	0	0	0	0	109.2	M56 H60 T62 C68	M56-C58 PolarHBondContact O-N 2.84Å; C58-H60 VanDerWaalsContact C-N 3.3Å; C58-H60 PolarHBondContact O-N 3.34Å; C58-T62 HydrophobicContact CB-CG2 3.66Å; C58-C68 WeakPolarHBondContact CA-SG 3.39Å; C58-C68 HydrophobicContact CB-CB 4.02Å; C58-C68 WeakPolarHBondContact CB-SG 3.48Å; C58-C68 WeakPolarHBondContact SG-CB 3.45Å; C58-C68 CovalentContact SG-SG 2.03Å; C58-C68 PolarHBondContact SG-SG 3.05Å
59	R	86.3	Confident	89.4	Confident	184 Å²	184	60.1 Å²	60.1	69%	0.694	33%	0.327	S	S	*	.			trans	-95	31.1	-175.6	-63	-176.2	-178.2	-172.7	-1	113.3	E57 L106	E57-R59 PolarHBondContact O-N 2.88Å; E57-R59 VanDerWaalsContact O-N 3.15Å; R59-L106 HydrophobicContact CB-CD1 4.37Å
60	H	85.5	Confident	89.5	Confident	42 Å²	42	61.9 Å²	61.9	19%	0.194	33%	0.334	C	S	.	.	S	Bend	trans	-151.1	169.5	178.3	58.6	102.4	0	0	0	110.2	C58 T62 L106 E115	C58-H60 VanDerWaalsContact C-N 3.3Å; C58-H60 PolarHBondContact O-N 3.34Å; H60-T62 WeakPolarHBondContact O-CG2 3.42Å; H60-T62 PolarHBondContact O-N 3.13Å; H60-L106 HydrophobicContact CB-CD1 4.3Å; H60-L106 HydrophobicContact CB-CD2 3.84Å; H60-E115 IonicContact CE1-OE1 3.77Å; H60-E115 PolarHBondContact CE1-OE1 3.03Å; H60-E115 IonicContact ND1-OE1 3.09Å; H60-E115 IonicContact NE2-OE1 3.84Å
61	A	87.7	Confident	89.3	Confident	102 Å²	102	58.9 Å²	58.9	84%	0.843	33%	0.325	S	S	*	.			trans	-62.9	129.7	170.3	0	0	0	0	0	109.2
62	T	88.7	Confident	88.8	Confident	48 Å²	48	60.3 Å²	60.3	29%	0.294	34%	0.34	S	S	.	.			trans	-128.3	150.7	-178.5	66	0	0	0	0	110.5	C58 H60 P66 E115	C58-T62 HydrophobicContact CB-CG2 3.66Å; H60-T62 WeakPolarHBondContact O-CG2 3.42Å; H60-T62 PolarHBondContact O-N 3.13Å; T62-P66 VanDerWaalsContact CB-CD 3.5Å; T62-P66 HydrophobicContact CG2-CG 3.88Å; T62-P66 WeakPolarHBondContact OG1-CD 3.38Å; T62-E115 WeakPolarHBondContact CG2-OE1 3.45Å
63	N	85.5	Confident	87.7	Confident	156 Å²	156	59.5 Å²	59.5	83%	0.834	34%	0.343	S	S	*	.	S	Bend	trans	-102.6	140.4	169.8	-69.3	-33.8	0	0	0	110.4	N65	N63-N65 VanDerWaalsContact C-N 3.33Å; N63-N65 PolarHBondContact O-N 3.3Å
64	G	88.1	Confident	86.1	Confident	79 Å²	79	65.8 Å²	65.8	81%	0.814	38%	0.376	S	S	*	.	S	Bend	trans	75.2	11.9	171.4	0	0	0	0	0	116.5
65	N	91.1	Very high	84.1	Confident	93 Å²	93	67.8 Å²	67.8	50%	0.497	38%	0.379	S	S	.	.			trans	52.8	65.9	-179.7	-167.5	1.6	0	0	0	112.2	N63 R121	N63-N65 VanDerWaalsContact C-N 3.33Å; N63-N65 PolarHBondContact O-N 3.3Å; N65-R121 VanDerWaalsContact CG-CZ 3.48Å; N65-R121 PolarHBondContact ND2-NE 2.83Å; N65-R121 WeakPolarHBondContact O-CD 3.44Å; N65-R121 PolarHBondContact O-NH1 3.42Å; N65-R121 VanDerWaalsContact OD1-CZ 3.26Å; N65-R121 PolarHBondContact OD1-NH1 3.11Å; N65-R121 PolarHBondContact OD1-NH2 3.15Å
66	P	93.5	Very high	82	Confident	10 Å²	10	71.2 Å²	71.2	7%	0.065	42%	0.416	C	S	.	.			trans	-72.8	176.2	-176.6	32.6	-34	0	0	0	111.9	T62 E115 Y116 R121	T62-P66 VanDerWaalsContact CB-CD 3.5Å; T62-P66 HydrophobicContact CG2-CG 3.88Å; T62-P66 WeakPolarHBondContact OG1-CD 3.38Å; P66-E115 HydrophobicContact CB-CB 3.91Å; P66-E115 HydrophobicContact CB-CG 4.29Å; P66-E115 HydrophobicContact CG-CB 4.2Å; P66-E115 HydrophobicContact CG-CG 4.01Å; P66-Y116 CarbonylContact C-O 3.59Å; P66-Y116 VanDerWaalsContact CA-O 3.31Å; P66-Y116 WeakPolarHBondContact CA-O 3.38Å; P66-Y116 WeakPolarHBondContact CB-O 3.08Å; P66-R121 PolarHBondContact O-NH1 3.05Å
67	I	94.3	Very high	80.2	Confident	8 Å²	8	74.9 Å²	74.9	4%	0.041	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.2	163.8	-58.6	170.2	0	0	0	106.8	I55 V69 L88 L97 Y116	I55-I67 HydrophobicContact CD1-CG2 4.48Å; I55-I67 HydrophobicContact CG1-CG2 3.94Å; I55-I67 HydrophobicContact CG2-CG2 4.02Å; I67-V69 HydrophobicContact CG2-CG2 3.97Å; I67-L88 HydrophobicContact CG2-CD2 3.97Å; I67-L97 HydrophobicContact CD1-CB 4.44Å; I67-L97 WeakPolarHBondContact CD1-O 3.46Å; I67-Y116 PolarHBondContact N-O 2.85Å; I67-Y116 PolarHBondContact O-N 2.87Å
68	C	92.4	Very high	78.6	Confident	1 Å²	1	70 Å²	70	1%	0.007	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.4	175.2	-67.7	0	0	0	0	110.4	I55 M56 C58 I113 V114	I55-C68 WeakPolarHBondContact CA-O 3.37Å; M56-C68 HydrophobicContact CG-CB 4.1Å; M56-C68 PolarHBondContact N-O 2.98Å; C58-C68 WeakPolarHBondContact CA-SG 3.39Å; C58-C68 HydrophobicContact CB-CB 4.02Å; C58-C68 WeakPolarHBondContact CB-SG 3.48Å; C58-C68 WeakPolarHBondContact SG-CB 3.45Å; C58-C68 CovalentContact SG-SG 2.03Å; C58-C68 PolarHBondContact SG-SG 3.05Å; C68-I113 HydrophobicContact CB-CG2 3.83Å; C68-V114 WeakPolarHBondContact CA-O 3.15Å
69	V	90.8	Very high	77.1	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.012	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136	-173.8	177.7	0	0	0	0	109.3	V26 A53 I55 I67 L88 V114 Y116	V26-V69 HydrophobicContact CG2-CG1 4.33Å; A53-V69 HydrophobicContact CB-CG1 3.31Å; I55-V69 HydrophobicContact CG1-CG2 4.1Å; I67-V69 HydrophobicContact CG2-CG2 3.97Å; V69-L88 HydrophobicContact CG1-CD1 4.44Å; V69-L88 HydrophobicContact CG2-CD1 4.08Å; V69-L88 HydrophobicContact CG2-CD2 3.7Å; V69-V114 PolarHBondContact N-O 2.8Å; V69-V114 PolarHBondContact O-N 2.92Å; V69-Y116 HydrophobicContact CB-CD2 4.02Å; V69-Y116 HydrophobicContact CB-CE2 3.7Å; V69-Y116 HydrophobicContact CG1-CE2 4.22Å; V69-Y116 HydrophobicContact CG2-CD2 3.57Å; V69-Y116 HydrophobicContact CG2-CE2 3.64Å
70	K	87.9	Confident	76	Confident	67 Å²	67	66.6 Å²	66.6	29%	0.291	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.7	170.4	-175.7	177.9	178	171	0	109.5	A53 T54 M56 D111	A53-K70 CarbonylContact C-O 3.58Å; A53-K70 WeakPolarHBondContact CA-O 3.49Å; A53-K70 WeakPolarHBondContact CB-O 3.3Å; T54-K70 PolarHBondContact N-O 2.73Å; T54-K70 PolarHBondContact O-N 3.23Å; M56-K70 HydrophobicContact SD-CB 3.82Å; K70-D111 WeakPolarHBondContact CE-OD2 3.43Å; K70-D111 IonicContact NZ-OD2 2.72Å; K70-D111 PolarHBondContact NZ-OD2 3.11Å
71	A	82.3	Confident	75.3	Confident	21 Å²	21	65.9 Å²	65.9	17%	0.174	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	141.5	173.1	0	0	0	0	0	110.7
72	G	75.7	Confident	74.9	Confident	34 Å²	34	61.4 Å²	61.4	35%	0.351	38%	0.378	S	S	.	.			trans	-71.7	136.9	173.7	0	0	0	0	0	110.8	R52 N74	R52-G72 PolarHBondContact O-N 3.2Å; G72-N74 PolarHBondContact O-N 2.89Å
73	Q	65.9	Low	74.7	Confident	136 Å²	136	61.7 Å²	61.7	64%	0.636	38%	0.378	S	S	*	.	S	Bend	trans	-70.3	-11.1	-174.4	-66.3	-177.3	-43.2	0	0	114.8	D111	Q73-D111 PolarHBondContact NE2-OD1 3.19Å; Q73-D111 PolarHBondContact NE2-OD2 2.77Å; Q73-D111 VanDerWaalsContact NE2-OD2 3.14Å
74	N	55.1	Low	74.9	Confident	136 Å²	136	59.4 Å²	59.4	73%	0.727	37%	0.374	S	S	*	.			trans	-125.8	43.5	-157	-76.8	-24.8	0	0	0	116.4	G72	G72-N74 PolarHBondContact O-N 2.89Å
75	F	49.9	Very low	75.1	Confident	109 Å²	109	58.1 Å²	58.1	48%	0.478	36%	0.361	S	S	.	.			trans	-142.1	119.2	170.7	-59.2	-77.7	0	0	0	109.9	R52 Q77	R52-F75 HydrophobicContact CB-CD2 4.39Å; R52-F75 HydrophobicContact CB-CE2 4.24Å; F75-Q77 PolarHBondContact O-N 2.83Å
76	G	48	Very low	75.1	Confident	79 Å²	79	54.2 Å²	54.2	81%	0.814	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	42.4	177.6	0	0	0	0	0	114.3
77	Q	54.4	Low	75.1	Confident	107 Å²	107	55.5 Å²	55.5	50%	0.5	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-33.6	-176.1	-72.4	-174	-14.1	0	0	113.1	K49 K50 F75	K49-Q77 HydrophobicContact CB-CB 4.41Å; K49-Q77 WeakPolarHBondContact CB-O 3.49Å; K49-Q77 WeakPolarHBondContact CG-O 3.06Å; K50-Q77 WeakPolarHBondContact O-CB 3.43Å; K50-Q77 PolarHBondContact O-OE1 3.24Å; F75-Q77 PolarHBondContact O-N 2.83Å
78	L	57.4	Low	75.1	Confident	16 Å²	16	55.1 Å²	55.1	8%	0.084	35%	0.349	C	S	.	.			trans	-153.1	111.7	169.9	-76.7	174.4	0	0	0	110.9	I28 K49	I28-L78 HydrophobicContact CD1-CB 4.46Å; I28-L78 HydrophobicContact CG1-CD1 4.25Å; K49-L78 HydrophobicContact CB-CD1 3.99Å; K49-L78 HydrophobicContact CB-CD2 3.63Å; K49-L78 HydrophobicContact CB-CG 3.49Å; K49-L78 VanDerWaalsContact CB-CG 3.49Å; K49-L78 HydrophobicContact CG-CD2 4.1Å; K49-L78 HydrophobicContact CG-CG 4.4Å
79	P	58	Low	75.3	Confident	109 Å²	109	55.4 Å²	55.4	71%	0.708	35%	0.351	S	S	*	.	S	Bend	trans	-74.8	-16.5	169.9	29.7	-32.2	0	0	0	112.4
80	A	64.3	Low	75.4	Confident	43 Å²	43	57.6 Å²	57.6	36%	0.355	37%	0.365	S	S	.	.	S	Bend	trans	-112.9	162.7	-170.7	0	0	0	0	0	111.6	I28 G82	I28-A80 WeakPolarHBondContact CD1-O 3.5Å; A80-G82 PolarHBondContact O-N 3.39Å
81	P	69.6	Low	75.7	Confident	27 Å²	27	56 Å²	56	18%	0.175	36%	0.363	C	S	.	.	S	Bend	trans	-51.9	1.2	-179.8	9.2	-26.2	0	0	0	119.9	V100 V114 Y116	P81-V100 HydrophobicContact CB-CG1 4.1Å; P81-V100 HydrophobicContact CB-CG2 4.43Å; P81-V100 HydrophobicContact CG-CG1 4.45Å; P81-V100 WeakPolarHBondContact O-CG2 3.01Å; P81-V114 HydrophobicContact CB-CB 3.88Å; P81-V114 HydrophobicContact CB-CG1 3.4Å; P81-V114 HydrophobicContact CB-CG2 3.44Å; P81-V114 VanDerWaalsContact CB-CG2 3.44Å; P81-V114 HydrophobicContact CG-CB 4.35Å; P81-V114 HydrophobicContact CG-CG1 3.92Å; P81-V114 HydrophobicContact CG-CG2 3.56Å; P81-Y116 PolarHBondContact O-OH 2.95Å
82	G	79.7	Confident	75.9	Confident	8 Å²	8	58.5 Å²	58.5	8%	0.082	38%	0.377	C	S	.	.			trans	82.3	-170.2	-150.2	0	0	0	0	0	110.6	V29 A80	V29-G82 WeakPolarHBondContact O-CA 3.32Å; A80-G82 PolarHBondContact O-N 3.39Å
83	D	85.2	Confident	76.6	Confident	54 Å²	54	63.8 Å²	63.8	29%	0.289	39%	0.392	S	S	.	.	S	Bend	trans	-91.1	153.7	-174.9	-62	-38.4	0	0	0	111.8	G30 Y31 G32 G85 G86 V100	G30-D83 VanDerWaalsContact CA-OD2 3.3Å; G30-D83 WeakPolarHBondContact CA-OD2 3.49Å; Y31-D83 PolarHBondContact N-OD2 2.67Å; G32-D83 WeakPolarHBondContact CA-OD1 3.39Å; G32-D83 PolarHBondContact N-OD1 2.83Å; G32-D83 PolarHBondContact N-OD2 3.46Å; D83-G85 PolarHBondContact O-N 3.24Å; D83-G86 WeakPolarHBondContact O-CA 3.44Å; D83-G86 PolarHBondContact O-N 3.4Å; D83-V100 VanDerWaalsContact O-CB 3.25Å; D83-V100 WeakPolarHBondContact O-CB 3.46Å; D83-V100 WeakPolarHBondContact O-CG2 3.19Å
84	S	88.9	Confident	77.9	Confident	108 Å²	108	57.8 Å²	57.8	76%	0.755	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	129.7	172.6	-173.8	0	0	0	0	110.7	G86	S84-G86 VanDerWaalsContact C-N 3.25Å; S84-G86 PolarHBondContact O-N 3.49Å
85	G	91.9	Very high	79.9	Confident	53 Å²	53	52.6 Å²	52.6	55%	0.546	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-3.8	-172.7	0	0	0	0	0	115.1	D83 V100	D83-G85 PolarHBondContact O-N 3.24Å; G85-V100 PolarHBondContact N-O 3.2Å; G85-V100 VanDerWaalsContact N-O 3.14Å
86	G	91.9	Very high	82.1	Confident	11 Å²	11	48.7 Å²	48.7	11%	0.113	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-71.5	156.2	176.9	0	0	0	0	0	113.1	D83 S84 V99 V100	D83-G86 WeakPolarHBondContact O-CA 3.44Å; D83-G86 PolarHBondContact O-N 3.4Å; S84-G86 VanDerWaalsContact C-N 3.25Å; S84-G86 PolarHBondContact O-N 3.49Å; G86-V99 CarbonylContact O-C 3.58Å; G86-V99 WeakPolarHBondContact O-CA 3.42Å; G86-V100 PolarHBondContact O-N 3.15Å
87	P	94.4	Very high	84.4	Confident	36 Å²	36	45.3 Å²	45.3	23%	0.234	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	146.2	-175.2	34.3	-35.8	0	0	0	113.2	V29 L89 V96	V29-P87 HydrophobicContact CG2-CG 3.75Å; P87-L89 HydrophobicContact CB-CD1 4.47Å; P87-L89 HydrophobicContact CB-CD2 3.91Å; P87-L89 HydrophobicContact CB-CG 4Å; P87-L89 HydrophobicContact CG-CD1 4.11Å; P87-L89 HydrophobicContact CG-CD2 4.39Å; P87-L89 HydrophobicContact CG-CG 4.17Å; P87-V96 HydrophobicContact CB-CG1 3.88Å; P87-V96 HydrophobicContact CB-CG2 4.4Å
88	L	94.3	Very high	86.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.7	160	-168.4	67.3	0	0	0	109.2	V26 I28 I67 V69 L97 G98 Y116	V26-L88 HydrophobicContact CB-CD1 3.98Å; V26-L88 HydrophobicContact CB-CG 4.25Å; V26-L88 HydrophobicContact CG1-CG 4.46Å; V26-L88 HydrophobicContact CG2-CD1 3.63Å; V26-L88 HydrophobicContact CG2-CG 4.24Å; I28-L88 HydrophobicContact CG2-CD1 3.85Å; I67-L88 HydrophobicContact CG2-CD2 3.97Å; V69-L88 HydrophobicContact CG1-CD1 4.44Å; V69-L88 HydrophobicContact CG2-CD1 4.08Å; V69-L88 HydrophobicContact CG2-CD2 3.7Å; L88-L97 HydrophobicContact CD2-CB 4.47Å; L88-L97 PolarHBondContact O-N 3.08Å; L88-G98 PolarHBondContact N-O 2.87Å; L88-Y116 HydrophobicContact CB-CD1 3.57Å; L88-Y116 HydrophobicContact CB-CE1 3.68Å; L88-Y116 HydrophobicContact CB-CG 4.2Å; L88-Y116 HydrophobicContact CD1-CD1 4.37Å; L88-Y116 HydrophobicContact CD1-CE1 3.91Å; L88-Y116 HydrophobicContact CD1-CE2 4.12Å; L88-Y116 HydrophobicContact CD2-CD1 4.34Å; L88-Y116 HydrophobicContact CD2-CD2 4.29Å; L88-Y116 HydrophobicContact CD2-CG 4.13Å; L88-Y116 HydrophobicContact CG-CD1 4.31Å; L88-Y116 HydrophobicContact CG-CE1 4.3Å
89	L	95	Very high	88.2	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137	-169.7	-60.9	173.4	0	0	0	111.5	I11 V26 F27 V29 P87 S91 V96	I11-L89 HydrophobicContact CD1-CD2 4.19Å; I11-L89 HydrophobicContact CG2-CD2 4.39Å; V26-L89 CarbonylContact C-O 3.58Å; V26-L89 WeakPolarHBondContact CA-O 3.22Å; F27-L89 HydrophobicContact CB-CB 4.38Å; F27-L89 PolarHBondContact N-O 2.72Å; F27-L89 PolarHBondContact O-N 2.03Å; V29-L89 HydrophobicContact CG2-CD1 4.4Å; P87-L89 HydrophobicContact CB-CD1 4.47Å; P87-L89 HydrophobicContact CB-CD2 3.91Å; P87-L89 HydrophobicContact CB-CG 4Å; P87-L89 HydrophobicContact CG-CD1 4.11Å; P87-L89 HydrophobicContact CG-CD2 4.39Å; P87-L89 HydrophobicContact CG-CG 4.17Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 WeakPolarHBondContact CB-O 3.31Å; L89-V96 HydrophobicContact CD2-CG2 4.21Å
90	P	94.6	Very high	89.8	Confident	48 Å²	48	37.2 Å²	37.2	31%	0.312	25%	0.245	S	C	.	.	S	Bend	trans	-78.8	-26.2	171.1	28.9	-23.6	0	0	0	111	F27 G94 P95 L97	F27-P90 WeakPolarHBondContact CE2-O 3.03Å; P90-G94 WeakPolarHBondContact CG-O 3.46Å; P90-P95 WeakPolarHBondContact CD-O 3.32Å; P90-P95 HydrophobicContact CG-CG 4.49Å; P90-L97 HydrophobicContact CB-CD1 3.93Å; P90-L97 HydrophobicContact CG-CD1 3.94Å; P90-L97 HydrophobicContact CG-CD2 4.36Å; P90-L97 HydrophobicContact CG-CG 4.14Å
91	S	93.2	Very high	91	Very high	34 Å²	34	38.9 Å²	38.9	24%	0.238	25%	0.254	C	S	.	.	S	Bend	trans	-146.1	159.9	177.6	79.9	0	0	0	0	109.8	L89 Q93 G94	L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 WeakPolarHBondContact CB-O 3.31Å; S91-Q93 PolarHBondContact O-N 3.35Å; S91-Q93 PolarHBondContact OG-N 2.86Å; S91-G94 PolarHBondContact O-N 2.72Å; S91-G94 PolarHBondContact OG-N 2.91Å; S91-G94 PolarHBondContact OG-O 2.88Å
92	P	87.2	Confident	91.6	Very high	73 Å²	73	42.6 Å²	42.6	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17	173	-24.2	34.8	0	0	0	114.7
93	Q	90.8	Very high	91.5	Very high	145 Å²	145	44 Å²	44	68%	0.678	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.9	178.6	-63.4	74.4	28.8	0	0	113.2	S91	S91-Q93 PolarHBondContact O-N 3.35Å; S91-Q93 PolarHBondContact OG-N 2.86Å
94	G	92.9	Very high	90.9	Very high	9 Å²	9	42.6 Å²	42.6	9%	0.093	28%	0.277	C	S	.	.			trans	89	-161	-176.9	0	0	0	0	0	114.8	P90 S91	P90-G94 WeakPolarHBondContact CG-O 3.46Å; S91-G94 PolarHBondContact O-N 2.72Å; S91-G94 PolarHBondContact OG-N 2.91Å; S91-G94 PolarHBondContact OG-O 2.88Å
95	P	96.3	Very high	90.2	Very high	27 Å²	27	42.3 Å²	42.3	18%	0.175	27%	0.271	C	S	.	.			cis	-67.9	172.9	0.6	29.8	-37.4	0	0	0	113.9	S12 P14 P90 L97	S12-P95 WeakPolarHBondContact O-CA 2.79Å; S12-P95 VanDerWaalsContact O-CB 3.32Å; S12-P95 WeakPolarHBondContact O-CB 3.33Å; P14-P95 HydrophobicContact CB-CB 4.14Å; P14-P95 HydrophobicContact CB-CG 4.2Å; P90-P95 WeakPolarHBondContact CD-O 3.32Å; P90-P95 HydrophobicContact CG-CG 4.49Å; P95-L97 HydrophobicContact CG-CD2 4.21Å; P95-L97 PolarHBondContact O-N 2.8Å
96	V	96.4	Very high	89.2	Confident	27 Å²	27	41 Å²	41	16%	0.164	25%	0.251	C	S	.	.			trans	-77.8	102.5	171.8	-173.8	0	0	0	0	109.8	I11 S12 P14 P87 L89 G98 V99 V119	I11-V96 HydrophobicContact CB-CG2 4.09Å; I11-V96 HydrophobicContact CG2-CG2 3.65Å; S12-V96 PolarHBondContact O-N 3.17Å; S12-V96 VanDerWaalsContact O-N 3.16Å; P14-V96 WeakPolarHBondContact CD-O 3.36Å; P14-V96 WeakPolarHBondContact CG-O 3.19Å; P87-V96 HydrophobicContact CB-CG1 3.88Å; P87-V96 HydrophobicContact CB-CG2 4.4Å; L89-V96 HydrophobicContact CD2-CG2 4.21Å; V96-G98 WeakPolarHBondContact CG1-O 3.45Å; V96-V99 HydrophobicContact CG1-CG2 4.43Å; V96-V119 HydrophobicContact CG1-CG2 4.01Å; V96-V119 WeakPolarHBondContact O-CB 3.37Å
97	L	96.6	Very high	87.8	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.042	29%	0.286	C	S	.	.			trans	-74.9	-38	-177.6	-60.6	174.5	0	0	0	112.3	D18 P20 V26 I67 L88 P90 P95 V119	D18-L97 HydrophobicContact CB-CD2 4.3Å; D18-L97 WeakPolarHBondContact O-CD2 3.43Å; P20-L97 HydrophobicContact CB-CD1 4.5Å; P20-L97 HydrophobicContact CG-CD1 4.16Å; V26-L97 HydrophobicContact CG1-CD1 4.03Å; I67-L97 HydrophobicContact CD1-CB 4.44Å; I67-L97 WeakPolarHBondContact CD1-O 3.46Å; L88-L97 HydrophobicContact CD2-CB 4.47Å; L88-L97 PolarHBondContact O-N 3.08Å; P90-L97 HydrophobicContact CB-CD1 3.93Å; P90-L97 HydrophobicContact CG-CD1 3.94Å; P90-L97 HydrophobicContact CG-CD2 4.36Å; P90-L97 HydrophobicContact CG-CG 4.14Å; P95-L97 HydrophobicContact CG-CD2 4.21Å; P95-L97 PolarHBondContact O-N 2.8Å; L97-V119 PolarHBondContact O-N 2.98Å
98	G	95.2	Very high	86.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	166.8	-175.5	0	0	0	0	0	112.2	L88 V96 A117	L88-G98 PolarHBondContact N-O 2.87Å; V96-G98 WeakPolarHBondContact CG1-O 3.45Å; G98-A117 CarbonylContact C-O 3.4Å; G98-A117 WeakPolarHBondContact CA-O 3.3Å
99	V	94.9	Very high	85.2	Confident	49 Å²	49	54 Å²	54	30%	0.297	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.5	177.5	178.6	0	0	0	0	108.7	G86 V96 S101 Y116 A117 V119	G86-V99 CarbonylContact O-C 3.58Å; G86-V99 WeakPolarHBondContact O-CA 3.42Å; V96-V99 HydrophobicContact CG1-CG2 4.43Å; V99-S101 PolarHBondContact O-N 2.66Å; V99-Y116 VanDerWaalsContact C-CD1 3.42Å; V99-Y116 CarbonylContact O-C 3.59Å; V99-Y116 WeakPolarHBondContact O-CA 3.18Å; V99-A117 PolarHBondContact N-O 2.79Å; V99-A117 PolarHBondContact O-N 2.76Å; V99-V119 HydrophobicContact CG2-CG2 3.86Å
100	V	92.1	Very high	83.7	Confident	13 Å²	13	59.1 Å²	59.1	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	123.9	-179.1	179.2	0	0	0	0	108.9	P81 D83 G85 G86 V114 Y116	P81-V100 HydrophobicContact CB-CG1 4.1Å; P81-V100 HydrophobicContact CB-CG2 4.43Å; P81-V100 HydrophobicContact CG-CG1 4.45Å; P81-V100 WeakPolarHBondContact O-CG2 3.01Å; D83-V100 VanDerWaalsContact O-CB 3.25Å; D83-V100 WeakPolarHBondContact O-CB 3.46Å; D83-V100 WeakPolarHBondContact O-CG2 3.19Å; G85-V100 PolarHBondContact N-O 3.2Å; G85-V100 VanDerWaalsContact N-O 3.14Å; G86-V100 PolarHBondContact O-N 3.15Å; V100-V114 HydrophobicContact CG1-CG1 4.31Å; V100-Y116 HydrophobicContact CB-CD1 4.36Å; V100-Y116 HydrophobicContact CB-CE1 4.05Å; V100-Y116 HydrophobicContact CG2-CD1 3.94Å; V100-Y116 HydrophobicContact CG2-CE1 3.18Å; V100-Y116 VanDerWaalsContact N-CD1 3.29Å
101	S	89.4	Confident	82.3	Confident	79 Å²	79	58.4 Å²	58.4	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	-57	-178.5	-175	0	0	0	0	112.1	V99 E115	V99-S101 PolarHBondContact O-N 2.66Å; S101-E115 WeakPolarHBondContact CB-O 2.92Å; S101-E115 PolarHBondContact N-O 2.7Å; S101-E115 VanDerWaalsContact N-O 3.08Å
102	H	81.9	Confident	81.2	Confident	105 Å²	105	60.9 Å²	60.9	49%	0.486	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150	-171.7	-178.9	57.6	0	0	0	111.9	V104 V114 E115	H102-V104 WeakPolarHBondContact CD2-CG2 3.45Å; H102-V114 CarbonylContact O-C 3.48Å; H102-V114 WeakPolarHBondContact O-CA 3.25Å; H102-V114 WeakPolarHBondContact O-CG1 3.34Å; H102-E115 IonicContact CD2-OE2 2.98Å; H102-E115 PolarHBondContact N-O 2.66Å; H102-E115 VanDerWaalsContact N-O 3.17Å; H102-E115 PolarHBondContact O-N 3.02Å
103	G	78	Confident	80.9	Confident	37 Å²	37	57.4 Å²	57.4	38%	0.381	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.3	173.6	0	0	0	0	0	110.6	I113	G103-I113 CarbonylContact C-O 3.52Å; G103-I113 WeakPolarHBondContact CA-O 3.32Å
104	V	73.5	Confident	80.4	Confident	24 Å²	24	50.6 Å²	50.6	15%	0.145	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.7	179.9	-178.1	0	0	0	0	109.5	H102 L106 I113 E115	H102-V104 WeakPolarHBondContact CD2-CG2 3.45Å; V104-L106 HydrophobicContact CG1-CD2 3.58Å; V104-L106 HydrophobicContact CG1-CG 4.27Å; V104-I113 PolarHBondContact N-O 2.7Å; V104-I113 PolarHBondContact O-N 3.02Å; V104-I113 VanDerWaalsContact O-O 3.11Å; V104-E115 HydrophobicContact CG2-CG 4.43Å
105	T	73.9	Confident	80.3	Confident	103 Å²	103	51.2 Å²	51.2	63%	0.632	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.9	168.9	-52	0	0	0	0	108.6
106	L	70.2	Confident	80.2	Confident	25 Å²	25	50 Å²	50	13%	0.131	30%	0.298	C	S	.	.			trans	-98.8	140.2	176.6	-61.9	-172.2	0	0	0	110.7	R59 H60 V104 N108 L109 I113	R59-L106 HydrophobicContact CB-CD1 4.37Å; H60-L106 HydrophobicContact CB-CD1 4.3Å; H60-L106 HydrophobicContact CB-CD2 3.84Å; V104-L106 HydrophobicContact CG1-CD2 3.58Å; V104-L106 HydrophobicContact CG1-CG 4.27Å; L106-N108 PolarHBondContact O-N 3.14Å; L106-L109 HydrophobicContact CB-CB 4.32Å; L106-L109 HydrophobicContact CB-CD1 4.44Å; L106-L109 HydrophobicContact CD1-CD1 4.03Å; L106-L109 PolarHBondContact O-N 2.81Å; L106-I113 HydrophobicContact CD1-CD1 3.36Å; L106-I113 HydrophobicContact CG-CD1 3.78Å
107	P	63.3	Low	80.1	Confident	131 Å²	131	50.4 Å²	50.4	85%	0.851	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.2	-178.2	-26.8	33.6	0	0	0	114.8
108	N	68.8	Low	80.1	Confident	155 Å²	155	50.1 Å²	50.1	83%	0.829	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	7.1	-176	-62.8	-30.8	0	0	0	113.5	L106	L106-N108 PolarHBondContact O-N 3.14Å
109	L	66	Low	80.1	Confident	34 Å²	34	50.8 Å²	50.8	18%	0.178	31%	0.307	C	S	.	.			trans	-127.3	116.1	174.5	-70.6	169.8	0	0	0	108.1	M56 L106 D111 I113	M56-L109 HydrophobicContact CE-CD1 3.84Å; L106-L109 HydrophobicContact CB-CB 4.32Å; L106-L109 HydrophobicContact CB-CD1 4.44Å; L106-L109 HydrophobicContact CD1-CD1 4.03Å; L106-L109 PolarHBondContact O-N 2.81Å; L109-D111 PolarHBondContact O-N 3.45Å; L109-I113 HydrophobicContact CD1-CD1 3.27Å; L109-I113 HydrophobicContact CD1-CG1 4.03Å
110	P	62.9	Low	80.2	Confident	115 Å²	115	48.9 Å²	48.9	75%	0.747	30%	0.296	S	S	*	.	S	Bend	trans	-66.1	-13.1	-177.3	27.7	-34.9	0	0	0	112.8
111	D	65.8	Low	80.4	Confident	33 Å²	33	52.9 Å²	52.9	18%	0.176	31%	0.31	C	S	.	.	S	Bend	trans	-108.5	148.5	-176.3	-52.8	-57.7	0	0	0	110.9	K70 Q73 L109 I113	K70-D111 WeakPolarHBondContact CE-OD2 3.43Å; K70-D111 IonicContact NZ-OD2 2.72Å; K70-D111 PolarHBondContact NZ-OD2 3.11Å; Q73-D111 PolarHBondContact NE2-OD1 3.19Å; Q73-D111 PolarHBondContact NE2-OD2 2.77Å; Q73-D111 VanDerWaalsContact NE2-OD2 3.14Å; L109-D111 PolarHBondContact O-N 3.45Å; D111-I113 PolarHBondContact O-N 3.33Å
112	I	68.9	Low	80.6	Confident	86 Å²	86	53.2 Å²	53.2	44%	0.441	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.8	173.6	-60.8	171.3	0	0	0	108.8	V114	I112-V114 HydrophobicContact CG2-CG2 4.1Å
113	I	80.6	Confident	81.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.1	164.7	-65.9	164.7	0	0	0	107.8	M56 C68 G103 V104 L106 L109 D111	M56-I113 HydrophobicContact CE-CD1 3.91Å; M56-I113 HydrophobicContact CE-CG1 4.34Å; M56-I113 HydrophobicContact SD-CD1 4.04Å; M56-I113 HydrophobicContact SD-CG1 3.82Å; C68-I113 HydrophobicContact CB-CG2 3.83Å; G103-I113 CarbonylContact C-O 3.52Å; G103-I113 WeakPolarHBondContact CA-O 3.32Å; V104-I113 PolarHBondContact N-O 2.7Å; V104-I113 PolarHBondContact O-N 3.02Å; V104-I113 VanDerWaalsContact O-O 3.11Å; L106-I113 HydrophobicContact CD1-CD1 3.36Å; L106-I113 HydrophobicContact CG-CD1 3.78Å; L109-I113 HydrophobicContact CD1-CD1 3.27Å; L109-I113 HydrophobicContact CD1-CG1 4.03Å; D111-I113 PolarHBondContact O-N 3.33Å
114	V	81.7	Confident	82	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.6	179.3	-177.1	0	0	0	0	108	C68 V69 P81 V100 H102 I112 Y116	C68-V114 WeakPolarHBondContact CA-O 3.15Å; V69-V114 PolarHBondContact N-O 2.8Å; V69-V114 PolarHBondContact O-N 2.92Å; P81-V114 HydrophobicContact CB-CB 3.88Å; P81-V114 HydrophobicContact CB-CG1 3.4Å; P81-V114 HydrophobicContact CB-CG2 3.44Å; P81-V114 VanDerWaalsContact CB-CG2 3.44Å; P81-V114 HydrophobicContact CG-CB 4.35Å; P81-V114 HydrophobicContact CG-CG1 3.92Å; P81-V114 HydrophobicContact CG-CG2 3.56Å; V100-V114 HydrophobicContact CG1-CG1 4.31Å; H102-V114 CarbonylContact O-C 3.48Å; H102-V114 WeakPolarHBondContact O-CA 3.25Å; H102-V114 WeakPolarHBondContact O-CG1 3.34Å; I112-V114 HydrophobicContact CG2-CG2 4.1Å; V114-Y116 HydrophobicContact CB-CD2 4.41Å; V114-Y116 HydrophobicContact CB-CE2 3.83Å; V114-Y116 HydrophobicContact CG1-CD2 3.96Å; V114-Y116 HydrophobicContact CG1-CE2 3.48Å; V114-Y116 VanDerWaalsContact CG1-CE2 3.48Å
115	E	90.4	Very high	83	Confident	22 Å²	22	57.3 Å²	57.3	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.5	169.8	-64.2	-172.4	145.3	0	0	109.8	H60 T62 P66 S101 H102 V104	H60-E115 IonicContact CE1-OE1 3.77Å; H60-E115 PolarHBondContact CE1-OE1 3.03Å; H60-E115 IonicContact ND1-OE1 3.09Å; H60-E115 IonicContact NE2-OE1 3.84Å; T62-E115 WeakPolarHBondContact CG2-OE1 3.45Å; P66-E115 HydrophobicContact CB-CB 3.91Å; P66-E115 HydrophobicContact CB-CG 4.29Å; P66-E115 HydrophobicContact CG-CB 4.2Å; P66-E115 HydrophobicContact CG-CG 4.01Å; S101-E115 WeakPolarHBondContact CB-O 2.92Å; S101-E115 PolarHBondContact N-O 2.7Å; S101-E115 VanDerWaalsContact N-O 3.08Å; H102-E115 IonicContact CD2-OE2 2.98Å; H102-E115 PolarHBondContact N-O 2.66Å; H102-E115 VanDerWaalsContact N-O 3.17Å; H102-E115 PolarHBondContact O-N 3.02Å; V104-E115 HydrophobicContact CG2-CG 4.43Å
116	Y	93.6	Very high	84	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.3	168.7	-68.5	-107.4	0	0	0	109.3	I28 P66 I67 V69 P81 L88 V99 V100 V114 S118	I28-Y116 WeakPolarHBondContact CG2-OH 3.35Å; P66-Y116 CarbonylContact C-O 3.59Å; P66-Y116 VanDerWaalsContact CA-O 3.31Å; P66-Y116 WeakPolarHBondContact CA-O 3.38Å; P66-Y116 WeakPolarHBondContact CB-O 3.08Å; I67-Y116 PolarHBondContact N-O 2.85Å; I67-Y116 PolarHBondContact O-N 2.87Å; V69-Y116 HydrophobicContact CB-CD2 4.02Å; V69-Y116 HydrophobicContact CB-CE2 3.7Å; V69-Y116 HydrophobicContact CG1-CE2 4.22Å; V69-Y116 HydrophobicContact CG2-CD2 3.57Å; V69-Y116 HydrophobicContact CG2-CE2 3.64Å; P81-Y116 PolarHBondContact O-OH 2.95Å; L88-Y116 HydrophobicContact CB-CD1 3.57Å; L88-Y116 HydrophobicContact CB-CE1 3.68Å; L88-Y116 HydrophobicContact CB-CG 4.2Å; L88-Y116 HydrophobicContact CD1-CD1 4.37Å; L88-Y116 HydrophobicContact CD1-CE1 3.91Å; L88-Y116 HydrophobicContact CD1-CE2 4.12Å; L88-Y116 HydrophobicContact CD2-CD1 4.34Å; L88-Y116 HydrophobicContact CD2-CD2 4.29Å; L88-Y116 HydrophobicContact CD2-CG 4.13Å; L88-Y116 HydrophobicContact CG-CD1 4.31Å; L88-Y116 HydrophobicContact CG-CE1 4.3Å; V99-Y116 VanDerWaalsContact C-CD1 3.42Å; V99-Y116 CarbonylContact O-C 3.59Å; V99-Y116 WeakPolarHBondContact O-CA 3.18Å; V100-Y116 HydrophobicContact CB-CD1 4.36Å; V100-Y116 HydrophobicContact CB-CE1 4.05Å; V100-Y116 HydrophobicContact CG2-CD1 3.94Å; V100-Y116 HydrophobicContact CG2-CE1 3.18Å; V100-Y116 VanDerWaalsContact N-CD1 3.29Å; V114-Y116 HydrophobicContact CB-CD2 4.41Å; V114-Y116 HydrophobicContact CB-CE2 3.83Å; V114-Y116 HydrophobicContact CG1-CD2 3.96Å; V114-Y116 HydrophobicContact CG1-CE2 3.48Å; V114-Y116 VanDerWaalsContact CG1-CE2 3.48Å; Y116-S118 PolarHBondContact O-N 3.3Å
117	A	94.6	Very high	85.1	Confident	35 Å²	35	58.9 Å²	58.9	29%	0.289	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126	166.3	0	0	0	0	0	108.5	G98 V99 V119 M122	G98-A117 CarbonylContact C-O 3.4Å; G98-A117 WeakPolarHBondContact CA-O 3.3Å; V99-A117 PolarHBondContact N-O 2.79Å; V99-A117 PolarHBondContact O-N 2.76Å; A117-V119 PolarHBondContact O-N 3.14Å; A117-M122 HydrophobicContact CB-SD 4.27Å
118	S	95.8	Very high	86.6	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.2	-176.1	178.9	0	0	0	0	110.8	Y116 A120 R121 M122	Y116-S118 PolarHBondContact O-N 3.3Å; S118-A120 VanDerWaalsContact C-N 3.34Å; S118-A120 PolarHBondContact O-N 3.06Å; S118-R121 PolarHBondContact O-N 2.75Å; S118-R121 WeakPolarHBondContact OG-CG 3.44Å; S118-R121 PolarHBondContact OG-N 2.85Å; S118-M122 WeakPolarHBondContact O-CG 3.1Å; S118-M122 PolarHBondContact O-N 3.37Å; S118-M122 VanDerWaalsContact O-N 3.13Å
119	V	96.7	Very high	87.9	Confident	13 Å²	13	55 Å²	55	8%	0.079	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-39.3	-179.8	179.3	0	0	0	0	110.8	L13 P14 V96 L97 V99 A117 R121 M122 L123	L13-V119 HydrophobicContact CD2-CG1 4.02Å; P14-V119 VanDerWaalsContact CD-CG1 3.48Å; P14-V119 HydrophobicContact CG-CB 3.88Å; P14-V119 HydrophobicContact CG-CG1 3.71Å; V96-V119 HydrophobicContact CG1-CG2 4.01Å; V96-V119 WeakPolarHBondContact O-CB 3.37Å; L97-V119 PolarHBondContact O-N 2.98Å; V99-V119 HydrophobicContact CG2-CG2 3.86Å; A117-V119 PolarHBondContact O-N 3.14Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 2.9Å; V119-M122 CarbonylContact O-C 3.54Å; V119-M122 PolarHBondContact O-N 3.36Å; V119-M122 VanDerWaalsContact O-N 3.1Å; V119-L123 WeakPolarHBondContact O-CA 3.5Å; V119-L123 PolarHBondContact O-N 3.16Å
120	A	96.7	Very high	88.9	Confident	9 Å²	9	61.8 Å²	61.8	7%	0.074	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.4	177	0	0	0	0	0	112.4	P14 I19 S118 L123	P14-A120 HydrophobicContact CB-CB 4.25Å; P14-A120 HydrophobicContact CG-CB 4Å; I19-A120 HydrophobicContact CG1-CB 3.75Å; S118-A120 VanDerWaalsContact C-N 3.34Å; S118-A120 PolarHBondContact O-N 3.06Å; A120-L123 WeakPolarHBondContact O-CB 3.33Å
121	R	95.1	Very high	90.2	Very high	97 Å²	97	59.1 Å²	59.1	37%	0.366	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-23.4	176.9	-65.4	177.3	-178.9	125.2	0.8	113.4	I19 N65 P66 S118 V119	I19-R121 HydrophobicContact CD1-CG 3.81Å; N65-R121 VanDerWaalsContact CG-CZ 3.48Å; N65-R121 PolarHBondContact ND2-NE 2.83Å; N65-R121 WeakPolarHBondContact O-CD 3.44Å; N65-R121 PolarHBondContact O-NH1 3.42Å; N65-R121 VanDerWaalsContact OD1-CZ 3.26Å; N65-R121 PolarHBondContact OD1-NH1 3.11Å; N65-R121 PolarHBondContact OD1-NH2 3.15Å; P66-R121 PolarHBondContact O-NH1 3.05Å; S118-R121 PolarHBondContact O-N 2.75Å; S118-R121 WeakPolarHBondContact OG-CG 3.44Å; S118-R121 PolarHBondContact OG-N 2.85Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 2.9Å
122	M	94.4	Very high	91.4	Very high	86 Å²	86	60.5 Å²	60.5	42%	0.424	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	11.1	177.2	-62.5	-177.5	75.1	0	0	112.6	A117 S118 V119 D124 F125 V126	A117-M122 HydrophobicContact CB-SD 4.27Å; S118-M122 WeakPolarHBondContact O-CG 3.1Å; S118-M122 PolarHBondContact O-N 3.37Å; S118-M122 VanDerWaalsContact O-N 3.13Å; V119-M122 CarbonylContact O-C 3.54Å; V119-M122 PolarHBondContact O-N 3.36Å; V119-M122 VanDerWaalsContact O-N 3.1Å; M122-D124 VanDerWaalsContact C-N 3.32Å; M122-D124 PolarHBondContact O-N 2.82Å; M122-F125 HydrophobicContact CE-CD1 4.21Å; M122-F125 WeakPolarHBondContact O-CB 3.21Å; M122-F125 PolarHBondContact O-N 3.42Å; M122-F125 VanDerWaalsContact O-N 3.08Å; M122-V126 WeakPolarHBondContact O-CG2 3.36Å; M122-V126 PolarHBondContact O-N 3.08Å
123	L	94.8	Very high	92.7	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-39.8	-167.6	-173.5	62.8	0	0	0	113	L13 P14 P16 V119 A120 V126 R127	L13-L123 HydrophobicContact CB-CD1 3.91Å; L13-L123 HydrophobicContact CD1-CD1 3.89Å; L13-L123 HydrophobicContact CG-CD1 4.39Å; P14-L123 WeakPolarHBondContact O-CD2 3.15Å; P16-L123 HydrophobicContact CG-CD2 3.88Å; V119-L123 WeakPolarHBondContact O-CA 3.5Å; V119-L123 PolarHBondContact O-N 3.16Å; A120-L123 WeakPolarHBondContact O-CB 3.33Å; L123-V126 PolarHBondContact O-N 2.98Å; L123-R127 HydrophobicContact CD1-CG 4.33Å; L123-R127 HydrophobicContact CG-CG 4.43Å; L123-R127 WeakPolarHBondContact O-CB 3.4Å; L123-R127 WeakPolarHBondContact O-CG 3.34Å; L123-R127 PolarHBondContact O-N 3.04Å
124	D	94.2	Very high	93.4	Very high	121 Å²	121	62.5 Å²	62.5	65%	0.647	32%	0.32	S	S	*	.	H	α-helix	trans	-65.1	-41.4	177.7	-67.6	-20.8	0	0	0	111.7	M122 R127 S128	M122-D124 VanDerWaalsContact C-N 3.32Å; M122-D124 PolarHBondContact O-N 2.82Å; D124-R127 PolarHBondContact O-N 3.04Å; D124-S128 WeakPolarHBondContact O-CB 3.4Å; D124-S128 PolarHBondContact O-N 3.39Å; D124-S128 PolarHBondContact O-OG 2.82Å
125	F	94.6	Very high	94.1	Very high	128 Å²	128	66.3 Å²	66.3	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-47.1	174.5	173.4	-96.6	0	0	0	110.9	M122 S128 N129	M122-F125 HydrophobicContact CE-CD1 4.21Å; M122-F125 WeakPolarHBondContact O-CB 3.21Å; M122-F125 PolarHBondContact O-N 3.42Å; M122-F125 VanDerWaalsContact O-N 3.08Å; F125-S128 PolarHBondContact O-N 3.45Å; F125-N129 PolarHBondContact O-N 3.38Å; F125-N129 PolarHBondContact O-ND2 2.92Å
126	V	94.5	Very high	94.4	Very high	39 Å²	39	69.2 Å²	69.2	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-49.3	178.2	173.8	0	0	0	0	110.5	L13 M122 L123 S128 N129 I130	L13-V126 HydrophobicContact CD1-CG1 3.91Å; L13-V126 HydrophobicContact CD2-CG1 3.9Å; M122-V126 WeakPolarHBondContact O-CG2 3.36Å; M122-V126 PolarHBondContact O-N 3.08Å; L123-V126 PolarHBondContact O-N 2.98Å; V126-S128 VanDerWaalsContact C-N 3.25Å; V126-S128 PolarHBondContact O-N 3.09Å; V126-N129 PolarHBondContact O-N 2.78Å; V126-N129 VanDerWaalsContact O-N 3.14Å; V126-I130 HydrophobicContact CG1-CG2 4.49Å; V126-I130 PolarHBondContact O-N 2.59Å
127	R	93.5	Very high	94.4	Very high	122 Å²	122	74.1 Å²	74.1	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-29	-179.7	-75.3	178.4	174.9	175.1	0.4	113.5	L13 L123 D124 N129	L13-R127 HydrophobicContact CD1-CG 4.44Å; L123-R127 HydrophobicContact CD1-CG 4.33Å; L123-R127 HydrophobicContact CG-CG 4.43Å; L123-R127 WeakPolarHBondContact O-CB 3.4Å; L123-R127 WeakPolarHBondContact O-CG 3.34Å; L123-R127 PolarHBondContact O-N 3.04Å; D124-R127 PolarHBondContact O-N 3.04Å; R127-N129 VanDerWaalsContact C-N 3.28Å
128	S	96	Very high	94.4	Very high	95 Å²	95	77.1 Å²	77.1	66%	0.664	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.4	178.5	-55.1	0	0	0	0	113.7	D124 F125 V126	D124-S128 WeakPolarHBondContact O-CB 3.4Å; D124-S128 PolarHBondContact O-N 3.39Å; D124-S128 PolarHBondContact O-OG 2.82Å; F125-S128 PolarHBondContact O-N 3.45Å; V126-S128 VanDerWaalsContact C-N 3.25Å; V126-S128 PolarHBondContact O-N 3.09Å
129	N	94.7	Very high	94.3	Very high	111 Å²	111	83.3 Å²	83.3	59%	0.594	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	13.4	-174.9	-71.2	-87.4	0	0	0	113.7	F125 V126 R127	F125-N129 PolarHBondContact O-N 3.38Å; F125-N129 PolarHBondContact O-ND2 2.92Å; V126-N129 PolarHBondContact O-N 2.78Å; V126-N129 VanDerWaalsContact O-N 3.14Å; R127-N129 VanDerWaalsContact C-N 3.28Å
130	I	86.6	Confident	94.1	Very high	175 Å²	175	89.6 Å²	89.6	90%	0.897	45%	0.449	S	S	*	.			trans	-113.5	0	172.2	59.9	175.2	0	0	0	110.5	L13 V126	L13-I130 HydrophobicContact CD1-CD1 4.42Å; V126-I130 HydrophobicContact CG1-CG2 4.49Å; V126-I130 PolarHBondContact O-N 2.59Å

Retrieved 130 of 130 residues in 73.7 ms (Link to these results)

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