A0A3Q0KM93_SCHMA Loading...

Dynactin subunit 6

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB , UniProt , Accession A0A3Q0KM93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	39.3	Very low	244 Å²	244	149.2 Å²	149.2	100%	1.202	82%	0.815	S	S	*	*				0	122.3	0	-78.9	161.9	153.1	0	0	107.5
2	K	38.7	Very low	41	Very low	210 Å²	210	143.8 Å²	143.8	91%	0.913	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.8	136.9	-168.8	-67.5	174.3	175.1	178.2	0	111.9
3	P	37.6	Very low	43.7	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-93.8	123.3	140.7	29.6	-19	0	0	0	108.2	S5	P3-S5 PolarHBondContact O-N 3.3Å
4	A	41.9	Very low	46.7	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.7	174	0	0	0	0	0	109.2	A6	A4-A6 PolarHBondContact O-N 3.37Å
5	S	34.8	Very low	49.5	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	72%	0.72	S	S	*	*			trans	-59.3	114.4	168.5	49.5	0	0	0	0	111.3	P3	P3-S5 PolarHBondContact O-N 3.3Å
6	A	36.5	Very low	51.8	Low	87 Å²	87	130 Å²	130	72%	0.719	70%	0.7	S	S	*	*			trans	-142.5	56	158.5	0	0	0	0	0	109.4	A4 T8	A4-A6 PolarHBondContact O-N 3.37Å; A6-T8 PolarHBondContact O-N 3.36Å
7	F	35.5	Very low	53.9	Low	217 Å²	217	125.6 Å²	125.6	95%	0.952	68%	0.678	S	S	*	*			trans	-82	76.4	161.6	-120.2	-91	0	0	0	107.1	S9	F7-S9 PolarHBondContact O-N 3.17Å
8	T	38.3	Very low	55.5	Low	105 Å²	105	124.1 Å²	124.1	64%	0.644	68%	0.676	S	S	*	*			trans	-75.5	111.8	165.1	44.6	0	0	0	0	107.2	A6 F10	A6-T8 PolarHBondContact O-N 3.36Å; T8-F10 PolarHBondContact O-N 2.93Å
9	S	35.3	Very low	56.8	Low	113 Å²	113	119.8 Å²	119.8	79%	0.79	66%	0.664	S	S	*	*			trans	-48.9	102.8	175.8	-164.2	0	0	0	0	110.6	F7 R11	F7-S9 PolarHBondContact O-N 3.17Å; S9-R11 VanDerWaalsContact C-N 3.29Å; S9-R11 PolarHBondContact O-N 2.85Å
10	F	43.2	Very low	58.3	Low	101 Å²	101	114.2 Å²	114.2	44%	0.443	63%	0.633	S	S	.	*			trans	-67.3	85.6	174.1	-91.4	-96.1	0	0	0	109.2	T8 S12 E31	T8-F10 PolarHBondContact O-N 2.93Å; F10-S12 PolarHBondContact O-N 3.31Å; F10-E31 HydrophobicContact CD1-CB 4.46Å; F10-E31 HydrophobicContact CE1-CB 4.09Å
11	R	49.6	Very low	59.6	Low	219 Å²	219	110.2 Å²	110.2	83%	0.826	61%	0.612	S	S	*	*			trans	-69.8	118.6	153.6	-78.7	-172.5	174.3	179.6	-1.1	105.7	S9 Q13	S9-R11 VanDerWaalsContact C-N 3.29Å; S9-R11 PolarHBondContact O-N 2.85Å; R11-Q13 VanDerWaalsContact C-N 3.33Å; R11-Q13 PolarHBondContact O-N 3.34Å
12	S	59.7	Low	61.7	Low	84 Å²	84	98.9 Å²	98.9	59%	0.587	56%	0.557	S	S	*	*			trans	-52.8	92.5	177.7	-31.4	0	0	0	0	110.1	F10 G30	F10-S12 PolarHBondContact O-N 3.31Å; S12-G30 CarbonylContact C-O 3.57Å; S12-G30 WeakPolarHBondContact CA-O 3.4Å
13	Q	76.2	Confident	63.9	Low	93 Å²	93	89.3 Å²	89.3	44%	0.435	52%	0.516	S	S	.	.			trans	-99.4	91	-180	-170.6	171.5	52.7	0	0	107.5	R11 R15 G30 I32	R11-Q13 VanDerWaalsContact C-N 3.33Å; R11-Q13 PolarHBondContact O-N 3.34Å; Q13-R15 HydrophobicContact CG-CG 4.13Å; Q13-G30 PolarHBondContact N-O 3.19Å; Q13-I32 PolarHBondContact O-N 3.4Å; Q13-I32 VanDerWaalsContact O-N 3.15Å
14	V	85.3	Confident	66	Low	50 Å²	50	87.2 Å²	87.2	30%	0.303	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.2	169.3	-175.1	0	0	0	0	108.1	I16 L28 I32 I34	V14-I16 HydrophobicContact CG1-CD1 4.23Å; V14-I16 HydrophobicContact CG1-CG1 3.87Å; V14-L28 HydrophobicContact CG1-CD1 3.85Å; V14-L28 HydrophobicContact CG2-CB 4.06Å; V14-L28 HydrophobicContact CG2-CD1 4.48Å; V14-I32 CarbonylContact C-O 3.52Å; V14-I32 WeakPolarHBondContact CA-O 3.36Å; V14-I32 HydrophobicContact CG1-CB 4.46Å; V14-I32 HydrophobicContact CG2-CB 4.45Å; V14-I32 HydrophobicContact CG2-CD1 4.45Å; V14-I34 HydrophobicContact CG1-CD1 4.29Å
15	R	88.6	Confident	68.1	Low	135 Å²	135	88.4 Å²	88.4	51%	0.509	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.2	175.1	-63	-173.2	-178.8	-139.1	2	109.4	Q13 I32 I33 I34	Q13-R15 HydrophobicContact CG-CG 4.13Å; R15-I32 PolarHBondContact N-O 2.84Å; R15-I33 HydrophobicContact CB-CG1 4.31Å; R15-I33 HydrophobicContact CB-CG2 4.47Å; R15-I33 CarbonylContact O-C 3.55Å; R15-I33 WeakPolarHBondContact O-CA 3.42Å; R15-I34 PolarHBondContact O-N 3.17Å
16	I	87.1	Confident	70.6	Confident	77 Å²	77	83.8 Å²	83.8	40%	0.395	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120	-179.8	-53.5	176.8	0	0	0	108.5	V14 A20 V22 I34	V14-I16 HydrophobicContact CG1-CD1 4.23Å; V14-I16 HydrophobicContact CG1-CG1 3.87Å; I16-A20 HydrophobicContact CG2-CB 3.66Å; I16-V22 HydrophobicContact CD1-CB 4.47Å; I16-V22 HydrophobicContact CD1-CG2 4.08Å; I16-V22 HydrophobicContact CG2-CG2 4.2Å; I16-I34 HydrophobicContact CG1-CD1 4.1Å
17	T	87.4	Confident	73.2	Confident	55 Å²	55	84.9 Å²	84.9	34%	0.337	45%	0.451	S	S	.	.			trans	-72.9	141.5	177.4	-53.5	0	0	0	0	110.3	G19 A20 I34 A36	T17-G19 PolarHBondContact O-N 2.77Å; T17-A20 WeakPolarHBondContact O-CB 3.32Å; T17-A20 PolarHBondContact O-N 3.29Å; T17-A20 VanDerWaalsContact O-N 3.13Å; T17-I34 VanDerWaalsContact CB-O 3.26Å; T17-I34 WeakPolarHBondContact CB-O 3.39Å; T17-I34 PolarHBondContact N-O 3.46Å; T17-I34 PolarHBondContact OG1-O 3.07Å; T17-A36 HydrophobicContact CG2-CB 3.77Å
18	P	82.4	Confident	75.8	Confident	99 Å²	99	76.8 Å²	76.8	64%	0.643	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	130.8	175.9	-25.9	34.5	0	0	0	111.9
19	G	81.2	Confident	78.2	Confident	43 Å²	43	74.6 Å²	74.6	44%	0.443	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	-14.1	-177	0	0	0	0	0	114.3	T17 N37	T17-G19 PolarHBondContact O-N 2.77Å; G19-N37 WeakPolarHBondContact O-CA 3.44Å; G19-N37 PolarHBondContact O-N 3.15Å
20	A	85.2	Confident	80.7	Confident	6 Å²	6	69.4 Å²	69.4	5%	0.05	37%	0.371	C	S	.	.			trans	-70.8	143.2	168.1	0	0	0	0	0	111.2	I16 T17 I34 G35 T38	I16-A20 HydrophobicContact CG2-CB 3.66Å; T17-A20 WeakPolarHBondContact O-CB 3.32Å; T17-A20 PolarHBondContact O-N 3.29Å; T17-A20 VanDerWaalsContact O-N 3.13Å; A20-I34 HydrophobicContact CB-CG2 3.81Å; A20-G35 WeakPolarHBondContact CB-O 3.46Å; A20-T38 CarbonylContact C-O 3.53Å; A20-T38 VanDerWaalsContact CA-O 3.22Å; A20-T38 WeakPolarHBondContact CA-O 3.46Å; A20-T38 WeakPolarHBondContact CB-O 3.33Å
21	V	85.6	Confident	82.9	Confident	31 Å²	31	68 Å²	68	19%	0.188	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.4	179.2	179.4	0	0	0	0	107.9	T38 I39 I40 L171	V21-T38 PolarHBondContact N-O 3.47Å; V21-I39 HydrophobicContact CB-CG1 4.31Å; V21-I39 CarbonylContact O-C 3.56Å; V21-I39 WeakPolarHBondContact O-CA 3.47Å; V21-I40 PolarHBondContact O-N 3.39Å; V21-L171 HydrophobicContact CG1-CB 4.4Å; V21-L171 HydrophobicContact CG1-CD1 3.9Å; V21-L171 HydrophobicContact CG1-CD2 3.33Å; V21-L171 HydrophobicContact CG1-CG 4.05Å; V21-L171 HydrophobicContact CG2-CD1 4.39Å
22	V	86.3	Confident	84.9	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.8	-179.6	-176.1	0	0	0	0	108.7	I16 C26 L28 I34 I40 M172	I16-V22 HydrophobicContact CD1-CB 4.47Å; I16-V22 HydrophobicContact CD1-CG2 4.08Å; I16-V22 HydrophobicContact CG2-CG2 4.2Å; V22-C26 WeakPolarHBondContact CG1-SG 3.32Å; V22-L28 HydrophobicContact CG1-CD1 4.18Å; V22-I34 HydrophobicContact CG2-CD1 4.14Å; V22-I40 HydrophobicContact CG1-CB 4.31Å; V22-I40 HydrophobicContact CG1-CD1 4.24Å; V22-I40 HydrophobicContact CG2-CD1 3.96Å; V22-I40 HydrophobicContact CG2-CG1 4.33Å; V22-M172 VanDerWaalsContact O-CB 3.3Å; V22-M172 WeakPolarHBondContact O-CB 3.35Å; V22-M172 VanDerWaalsContact O-CG 3.32Å; V22-M172 WeakPolarHBondContact O-CG 3.43Å
23	C	84.2	Confident	86.5	Confident	10 Å²	10	56.1 Å²	56.1	7%	0.068	31%	0.311	C	S	.	.			trans	-73	141.9	175.5	-76	0	0	0	0	111.1	E25 C26 I40 P42	C23-E25 PolarHBondContact O-N 3.33Å; C23-E25 VanDerWaalsContact O-N 3.17Å; C23-C26 PolarHBondContact O-N 3.43Å; C23-C26 PolarHBondContact O-SG 2.79Å; C23-I40 WeakPolarHBondContact CB-O 3.35Å; C23-I40 PolarHBondContact N-O 3.06Å; C23-I40 PolarHBondContact SG-O 2.8Å; C23-P42 HydrophobicContact CB-CG 4Å
24	S	82	Confident	87.3	Confident	80 Å²	80	51.7 Å²	51.7	56%	0.559	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.3	-178.1	51.6	0	0	0	0	114.7	C26	S24-C26 VanDerWaalsContact C-N 3.31Å
25	E	86.5	Confident	87.6	Confident	126 Å²	126	49.7 Å²	49.7	59%	0.589	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	8.6	179.9	-63.7	-177.9	-165.5	0	0	113.3	C23 P42 K43	C23-E25 PolarHBondContact O-N 3.33Å; C23-E25 VanDerWaalsContact O-N 3.17Å; E25-P42 HydrophobicContact CB-CB 4.02Å; E25-K43 WeakPolarHBondContact O-CA 3.4Å; E25-K43 PolarHBondContact O-N 3.21Å; E25-K43 VanDerWaalsContact O-N 3.09Å
26	C	87.4	Confident	87.6	Confident	22 Å²	22	44.3 Å²	44.3	15%	0.149	26%	0.264	C	S	.	.			trans	-83.2	147.2	173.2	68.9	0	0	0	0	111.6	V22 C23 S24 I40 A44	V22-C26 WeakPolarHBondContact CG1-SG 3.32Å; C23-C26 PolarHBondContact O-N 3.43Å; C23-C26 PolarHBondContact O-SG 2.79Å; S24-C26 VanDerWaalsContact C-N 3.31Å; C26-I40 HydrophobicContact CB-CG2 4.01Å; C26-A44 CarbonylContact C-O 3.46Å; C26-A44 VanDerWaalsContact CA-O 3.25Å; C26-A44 WeakPolarHBondContact CA-O 3.44Å; C26-A44 HydrophobicContact CB-CB 4.39Å; C26-A44 WeakPolarHBondContact CB-O 3.06Å
27	E	90.4	Very high	87.6	Confident	111 Å²	111	43.5 Å²	43.5	52%	0.519	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.6	172.2	-62.6	-177.6	169.2	0	0	109.3	A44 R45 I46	E27-A44 PolarHBondContact N-O 2.84Å; E27-R45 HydrophobicContact CB-CB 4.43Å; E27-R45 HydrophobicContact CB-CG 4.13Å; E27-R45 HydrophobicContact CG-CG 4.29Å; E27-R45 CarbonylContact O-C 3.55Å; E27-R45 WeakPolarHBondContact O-CA 3.32Å; E27-R45 WeakPolarHBondContact OE2-CD 3.21Å; E27-R45 WeakPolarHBondContact OE2-CG 3.19Å; E27-R45 IonicContact OE2-CZ 3.85Å; E27-R45 IonicContact OE2-NE 3.51Å; E27-R45 PolarHBondContact OE2-NE 2.94Å; E27-I46 PolarHBondContact O-N 3.14Å
28	L	89.9	Confident	87.7	Confident	46 Å²	46	40.9 Å²	40.9	24%	0.241	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.8	175.8	-56.5	-179.3	0	0	0	109.2	V14 V22 I32 I34 I46	V14-L28 HydrophobicContact CG1-CD1 3.85Å; V14-L28 HydrophobicContact CG2-CB 4.06Å; V14-L28 HydrophobicContact CG2-CD1 4.48Å; V22-L28 HydrophobicContact CG1-CD1 4.18Å; L28-I32 HydrophobicContact CB-CD1 3.91Å; L28-I32 HydrophobicContact CD2-CD1 4.29Å; L28-I34 HydrophobicContact CD1-CD1 4.36Å; L28-I46 WeakPolarHBondContact CA-O 3.31Å; L28-I46 HydrophobicContact CD2-CB 3.62Å; L28-I46 HydrophobicContact CD2-CD1 3.75Å; L28-I46 HydrophobicContact CD2-CG1 3.82Å
29	S	89.4	Confident	88.1	Confident	59 Å²	59	36.5 Å²	36.5	41%	0.413	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.5	-179.2	-172.4	0	0	0	0	111.9	I32 I46 A48	S29-I32 WeakPolarHBondContact O-CD1 3.3Å; S29-I46 PolarHBondContact N-O 3.22Å; S29-A48 WeakPolarHBondContact O-CB 3.21Å; S29-A48 PolarHBondContact O-N 3.29Å
30	G	87.2	Confident	88.5	Confident	5 Å²	5	34.5 Å²	34.5	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	88.3	-154	-179.8	0	0	0	0	0	114.3	S12 Q13	S12-G30 CarbonylContact C-O 3.57Å; S12-G30 WeakPolarHBondContact CA-O 3.4Å; Q13-G30 PolarHBondContact N-O 3.19Å
31	E	90.2	Very high	88.6	Confident	71 Å²	71	35.7 Å²	35.7	33%	0.332	20%	0.2	S	C	.	.	S	Bend	trans	-92.7	109.9	179.9	-174.8	173.9	-174	0	0	110	F10 A48 P52 I53	F10-E31 HydrophobicContact CD1-CB 4.46Å; F10-E31 HydrophobicContact CE1-CB 4.09Å; E31-A48 WeakPolarHBondContact O-CB 3.37Å; E31-P52 HydrophobicContact CB-CB 4Å; E31-P52 HydrophobicContact CG-CB 3.95Å; E31-P52 VanDerWaalsContact O-CA 3.3Å; E31-P52 WeakPolarHBondContact O-CA 3.26Å; E31-I53 PolarHBondContact O-N 2.75Å
32	I	91.8	Very high	88.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.4	-173.4	-56.6	166.2	0	0	0	108.9	Q13 V14 R15 L28 S29 I34 I46 A48 I53 I55	Q13-I32 PolarHBondContact O-N 3.4Å; Q13-I32 VanDerWaalsContact O-N 3.15Å; V14-I32 CarbonylContact C-O 3.52Å; V14-I32 WeakPolarHBondContact CA-O 3.36Å; V14-I32 HydrophobicContact CG1-CB 4.46Å; V14-I32 HydrophobicContact CG2-CB 4.45Å; V14-I32 HydrophobicContact CG2-CD1 4.45Å; R15-I32 PolarHBondContact N-O 2.84Å; L28-I32 HydrophobicContact CB-CD1 3.91Å; L28-I32 HydrophobicContact CD2-CD1 4.29Å; S29-I32 WeakPolarHBondContact O-CD1 3.3Å; I32-I34 HydrophobicContact CG2-CD1 4.38Å; I32-I34 HydrophobicContact CG2-CG1 4.07Å; I32-I46 HydrophobicContact CD1-CB 4.15Å; I32-I46 HydrophobicContact CD1-CG2 3.81Å; I32-I46 WeakPolarHBondContact CD1-O 3.2Å; I32-I46 HydrophobicContact CG1-CG2 4.26Å; I32-I46 HydrophobicContact CG2-CG2 4.17Å; I32-A48 HydrophobicContact CG1-CB 4.18Å; I32-I53 CarbonylContact C-O 3.55Å; I32-I53 WeakPolarHBondContact CA-O 3.49Å; I32-I55 HydrophobicContact CG2-CD1 4.49Å
33	I	92.8	Very high	88.8	Confident	53 Å²	53	39.8 Å²	39.8	27%	0.272	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.9	172.7	-55.1	-173.8	0	0	0	108.5	R15 I53 H54 I55	R15-I33 HydrophobicContact CB-CG1 4.31Å; R15-I33 HydrophobicContact CB-CG2 4.47Å; R15-I33 CarbonylContact O-C 3.55Å; R15-I33 WeakPolarHBondContact O-CA 3.42Å; I33-I53 PolarHBondContact N-O 2.85Å; I33-H54 WeakPolarHBondContact CD1-CD2 3.41Å; I33-H54 VanDerWaalsContact CD1-NE2 3.33Å; I33-H54 WeakPolarHBondContact CD1-NE2 3.48Å; I33-I55 WeakPolarHBondContact O-CB 3.43Å; I33-I55 PolarHBondContact O-N 3.38Å
34	I	92.6	Very high	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.5	179.3	-63.2	162.4	0	0	0	108.5	V14 R15 I16 T17 A20 V22 L28 I32 T38 I40 I55	V14-I34 HydrophobicContact CG1-CD1 4.29Å; R15-I34 PolarHBondContact O-N 3.17Å; I16-I34 HydrophobicContact CG1-CD1 4.1Å; T17-I34 VanDerWaalsContact CB-O 3.26Å; T17-I34 WeakPolarHBondContact CB-O 3.39Å; T17-I34 PolarHBondContact N-O 3.46Å; T17-I34 PolarHBondContact OG1-O 3.07Å; A20-I34 HydrophobicContact CB-CG2 3.81Å; V22-I34 HydrophobicContact CG2-CD1 4.14Å; L28-I34 HydrophobicContact CD1-CD1 4.36Å; I32-I34 HydrophobicContact CG2-CD1 4.38Å; I32-I34 HydrophobicContact CG2-CG1 4.07Å; I34-T38 HydrophobicContact CG2-CG2 3.78Å; I34-I40 HydrophobicContact CD1-CD1 3.55Å; I34-I40 HydrophobicContact CG1-CD1 4.23Å; I34-I55 HydrophobicContact CG1-CD1 4.25Å
35	G	91.1	Very high	89.7	Confident	8 Å²	8	39.6 Å²	39.6	8%	0.082	20%	0.201	C	C	.	.			trans	-68.9	172.3	177.3	0	0	0	0	0	113.6	A20 I55 G56	A20-G35 WeakPolarHBondContact CB-O 3.46Å; G35-I55 PolarHBondContact N-O 3.03Å; G35-G56 VanDerWaalsContact CA-O 3.26Å; G35-G56 WeakPolarHBondContact CA-O 3.41Å; G35-G56 PolarHBondContact N-O 3.28Å
36	A	89.4	Confident	90	Very high	22 Å²	22	33.6 Å²	33.6	18%	0.182	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	151	-176.9	0	0	0	0	0	110.8	T17 T38 S57 F58	T17-A36 HydrophobicContact CG2-CB 3.77Å; A36-T38 PolarHBondContact O-N 3.01Å; A36-S57 PolarHBondContact N-OG 3.11Å; A36-S57 CarbonylContact O-C 3.6Å; A36-S57 WeakPolarHBondContact O-CA 3.45Å; A36-S57 WeakPolarHBondContact O-CB 3.39Å; A36-F58 PolarHBondContact O-N 2.94Å
37	N	87.5	Confident	90.2	Very high	60 Å²	60	34 Å²	34	32%	0.321	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	14.1	175.8	-62.3	73	0	0	0	114.9	G19 F58	G19-N37 WeakPolarHBondContact O-CA 3.44Å; G19-N37 PolarHBondContact O-N 3.15Å; N37-F58 HydrophobicContact CB-CD1 3.53Å; N37-F58 HydrophobicContact CB-CD2 4.49Å; N37-F58 HydrophobicContact CB-CE1 3.52Å; N37-F58 HydrophobicContact CB-CE2 4.47Å; N37-F58 HydrophobicContact CB-CG 4.04Å; N37-F58 HydrophobicContact CB-CZ 4.01Å
38	T	89.7	Confident	90.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.			trans	-80.4	137.3	173.1	-69.9	0	0	0	0	110.2	A20 V21 I34 A36 I40 I55 G56 N59	A20-T38 CarbonylContact C-O 3.53Å; A20-T38 VanDerWaalsContact CA-O 3.22Å; A20-T38 WeakPolarHBondContact CA-O 3.46Å; A20-T38 WeakPolarHBondContact CB-O 3.33Å; V21-T38 PolarHBondContact N-O 3.47Å; I34-T38 HydrophobicContact CG2-CG2 3.78Å; A36-T38 PolarHBondContact O-N 3.01Å; T38-I40 HydrophobicContact CG2-CG1 4.35Å; T38-I55 HydrophobicContact CG2-CG2 3.99Å; T38-G56 PolarHBondContact OG1-O 2.71Å; T38-N59 CarbonylContact C-O 3.51Å; T38-N59 VanDerWaalsContact CA-O 3.23Å; T38-N59 WeakPolarHBondContact CA-O 3.26Å; T38-N59 HydrophobicContact CG2-CB 3.88Å; T38-N59 PolarHBondContact OG1-N 3.18Å
39	I	89.2	Confident	90.1	Very high	8 Å²	8	33 Å²	33	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.9	-175.9	-57.7	-174.9	0	0	0	108.7	V21 N59 L60 I61 L165	V21-I39 HydrophobicContact CB-CG1 4.31Å; V21-I39 CarbonylContact O-C 3.56Å; V21-I39 WeakPolarHBondContact O-CA 3.47Å; I39-N59 PolarHBondContact N-O 3.15Å; I39-L60 HydrophobicContact CB-CD1 3.8Å; I39-L60 HydrophobicContact CG2-CD1 3.79Å; I39-I61 PolarHBondContact O-N 2.92Å; I39-L165 HydrophobicContact CD1-CD1 3.66Å; I39-L165 HydrophobicContact CG2-CD1 3.44Å; I39-L165 VanDerWaalsContact CG2-CD1 3.44Å
40	I	91	Very high	89.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115	176.9	-53.9	-179.6	0	0	0	108.6	V21 V22 C23 C26 I34 T38 A44 I46 I61	V21-I40 PolarHBondContact O-N 3.39Å; V22-I40 HydrophobicContact CG1-CB 4.31Å; V22-I40 HydrophobicContact CG1-CD1 4.24Å; V22-I40 HydrophobicContact CG2-CD1 3.96Å; V22-I40 HydrophobicContact CG2-CG1 4.33Å; C23-I40 WeakPolarHBondContact CB-O 3.35Å; C23-I40 PolarHBondContact N-O 3.06Å; C23-I40 PolarHBondContact SG-O 2.8Å; C26-I40 HydrophobicContact CB-CG2 4.01Å; I34-I40 HydrophobicContact CD1-CD1 3.55Å; I34-I40 HydrophobicContact CG1-CD1 4.23Å; T38-I40 HydrophobicContact CG2-CG1 4.35Å; I40-A44 HydrophobicContact CG2-CB 3.57Å; I40-I46 HydrophobicContact CD1-CD1 3.75Å; I40-I61 WeakPolarHBondContact CA-O 3.42Å; I40-I61 HydrophobicContact CG1-CB 4.36Å; I40-I61 HydrophobicContact CG1-CD1 4.18Å; I40-I61 HydrophobicContact CG2-CG2 4.35Å
41	H	85.7	Confident	89.8	Confident	32 Å²	32	31.5 Å²	31.5	15%	0.148	16%	0.159	C	C	.	.			trans	-72.9	164.9	178.5	-81.6	-134.4	0	0	0	112.6	A44 I61 E62 E63	H41-A44 WeakPolarHBondContact O-CB 3.36Å; H41-A44 PolarHBondContact O-N 3.28Å; H41-I61 WeakPolarHBondContact CB-O 3.43Å; H41-I61 PolarHBondContact CD2-O 2.8Å; H41-I61 PolarHBondContact N-O 2.8Å; H41-E62 VanDerWaalsContact CB-C 3.47Å; H41-E63 HydrophobicContact CB-CB 4.4Å
42	P	87	Confident	89.8	Confident	14 Å²	14	29 Å²	29	9%	0.091	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	149.4	173.4	-23.7	35.4	0	0	0	112.5	C23 E25 A44 E63	C23-P42 HydrophobicContact CB-CG 4Å; E25-P42 HydrophobicContact CB-CB 4.02Å; P42-A44 PolarHBondContact O-N 3.14Å; P42-A44 VanDerWaalsContact O-N 3.11Å; P42-E63 WeakPolarHBondContact O-CA 3.48Å; P42-E63 WeakPolarHBondContact O-CB 3.48Å; P42-E63 WeakPolarHBondContact O-CG 3.38Å
43	K	89.6	Confident	89.9	Confident	109 Å²	109	29 Å²	29	47%	0.474	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	12.5	-179.7	-44.4	-177.8	-166.1	145.2	0	116.1	E25 E63	E25-K43 WeakPolarHBondContact O-CA 3.4Å; E25-K43 PolarHBondContact O-N 3.21Å; E25-K43 VanDerWaalsContact O-N 3.09Å; K43-E63 HydrophobicContact CB-CG 4.29Å; K43-E63 HydrophobicContact CD-CG 4.47Å; K43-E63 WeakPolarHBondContact CD-OE1 3.44Å; K43-E63 WeakPolarHBondContact CE-OE1 3.32Å; K43-E63 IonicContact NZ-OE1 2.72Å; K43-E63 PolarHBondContact NZ-OE1 2.99Å
44	A	92.5	Very high	89.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.			trans	-68.5	141.5	165.6	0	0	0	0	0	109.9	C26 E27 I40 H41 P42 I61 V65	C26-A44 CarbonylContact C-O 3.46Å; C26-A44 VanDerWaalsContact CA-O 3.25Å; C26-A44 WeakPolarHBondContact CA-O 3.44Å; C26-A44 HydrophobicContact CB-CB 4.39Å; C26-A44 WeakPolarHBondContact CB-O 3.06Å; E27-A44 PolarHBondContact N-O 2.84Å; I40-A44 HydrophobicContact CG2-CB 3.57Å; H41-A44 WeakPolarHBondContact O-CB 3.36Å; H41-A44 PolarHBondContact O-N 3.28Å; P42-A44 PolarHBondContact O-N 3.14Å; P42-A44 VanDerWaalsContact O-N 3.11Å; A44-I61 HydrophobicContact CB-CG2 3.88Å; A44-V65 CarbonylContact C-O 3.58Å; A44-V65 WeakPolarHBondContact CA-O 3.19Å
45	R	93.7	Very high	90	Very high	85 Å²	85	29.4 Å²	29.4	32%	0.321	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115	-177.1	-61.3	176.7	62.3	-127.2	-10.8	109.2	E27 V65 E66 I67	E27-R45 HydrophobicContact CB-CB 4.43Å; E27-R45 HydrophobicContact CB-CG 4.13Å; E27-R45 HydrophobicContact CG-CG 4.29Å; E27-R45 CarbonylContact O-C 3.55Å; E27-R45 WeakPolarHBondContact O-CA 3.32Å; E27-R45 WeakPolarHBondContact OE2-CD 3.21Å; E27-R45 WeakPolarHBondContact OE2-CG 3.19Å; E27-R45 IonicContact OE2-CZ 3.85Å; E27-R45 IonicContact OE2-NE 3.51Å; E27-R45 PolarHBondContact OE2-NE 2.94Å; R45-V65 PolarHBondContact N-O 2.72Å; R45-E66 HydrophobicContact CB-CB 4.47Å; R45-E66 IonicContact CZ-OE1 3.16Å; R45-E66 IonicContact NH1-OE1 3.5Å; R45-E66 PolarHBondContact NH1-OE1 2.92Å; R45-E66 IonicContact NH1-OE2 2.91Å; R45-E66 PolarHBondContact NH1-OE2 3.42Å; R45-E66 IonicContact NH2-OE1 2.95Å; R45-E66 PolarHBondContact NH2-OE1 2.97Å; R45-E66 CarbonylContact O-C 3.59Å; R45-E66 VanDerWaalsContact O-CA 3.32Å; R45-E66 WeakPolarHBondContact O-CA 3.37Å; R45-I67 PolarHBondContact O-N 3.13Å
46	I	93	Very high	90	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.4	178.9	-49.4	-178.5	0	0	0	107.9	E27 L28 S29 I32 I40 I53 I55 I61 I67	E27-I46 PolarHBondContact O-N 3.14Å; L28-I46 WeakPolarHBondContact CA-O 3.31Å; L28-I46 HydrophobicContact CD2-CB 3.62Å; L28-I46 HydrophobicContact CD2-CD1 3.75Å; L28-I46 HydrophobicContact CD2-CG1 3.82Å; S29-I46 PolarHBondContact N-O 3.22Å; I32-I46 HydrophobicContact CD1-CB 4.15Å; I32-I46 HydrophobicContact CD1-CG2 3.81Å; I32-I46 WeakPolarHBondContact CD1-O 3.2Å; I32-I46 HydrophobicContact CG1-CG2 4.26Å; I32-I46 HydrophobicContact CG2-CG2 4.17Å; I40-I46 HydrophobicContact CD1-CD1 3.75Å; I46-I53 HydrophobicContact CG2-CD1 3.75Å; I46-I53 HydrophobicContact CG2-CG2 4.33Å; I46-I55 HydrophobicContact CD1-CD1 3.81Å; I46-I55 HydrophobicContact CG2-CD1 4.44Å; I46-I61 HydrophobicContact CD1-CD1 3.92Å; I46-I67 CarbonylContact C-O 3.49Å; I46-I67 WeakPolarHBondContact CA-O 3.33Å; I46-I67 HydrophobicContact CD1-CD1 4.49Å; I46-I67 HydrophobicContact CG1-CB 4.4Å; I46-I67 HydrophobicContact CG1-CD1 4.45Å; I46-I67 HydrophobicContact CG2-CB 4.28Å; I46-I67 HydrophobicContact CG2-CG2 4.44Å
47	I	91.6	Very high	90.1	Very high	32 Å²	32	30.1 Å²	30.1	16%	0.164	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	104.1	-169.9	-54.1	175.2	0	0	0	109.2	E49 I67 V68 N69	I47-E49 VanDerWaalsContact C-N 3.27Å; I47-E49 HydrophobicContact CG2-CB 4.12Å; I47-E49 PolarHBondContact O-N 2.81Å; I47-I67 PolarHBondContact N-O 3.23Å; I47-V68 HydrophobicContact CB-CG1 4.15Å; I47-V68 HydrophobicContact CB-CG2 4.13Å; I47-V68 HydrophobicContact CD1-CG2 4.44Å; I47-V68 HydrophobicContact CG2-CG1 4.38Å; I47-V68 WeakPolarHBondContact O-CA 3.32Å; I47-N69 PolarHBondContact O-N 3.31Å
48	A	89.7	Confident	90.2	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	16%	0.155	C	C	.	.			trans	-79.6	75.9	167.7	0	0	0	0	0	109.2	S29 E31 I32 G51 I53	S29-A48 WeakPolarHBondContact O-CB 3.21Å; S29-A48 PolarHBondContact O-N 3.29Å; E31-A48 WeakPolarHBondContact O-CB 3.37Å; I32-A48 HydrophobicContact CG1-CB 4.18Å; A48-G51 WeakPolarHBondContact CA-O 3.48Å; A48-G51 WeakPolarHBondContact CB-O 3.1Å; A48-I53 HydrophobicContact CB-CD1 3.99Å; A48-I53 HydrophobicContact CB-CG1 3.99Å
49	E	86.5	Confident	90.3	Very high	129 Å²	129	30.6 Å²	30.6	60%	0.603	16%	0.155	S	C	*	.	S	Bend	trans	-72.7	-49.7	-175.3	-173.9	178.2	179.3	0	0	112.2	I47 V68 N69	I47-E49 VanDerWaalsContact C-N 3.27Å; I47-E49 HydrophobicContact CG2-CB 4.12Å; I47-E49 PolarHBondContact O-N 2.81Å; E49-V68 HydrophobicContact CB-CG1 4.27Å; E49-N69 PolarHBondContact N-O 3.11Å
50	A	85.2	Confident	90.3	Very high	31 Å²	31	30.4 Å²	30.4	26%	0.256	15%	0.153	S	C	.	.	S	Bend	trans	-114.5	-17.6	-174.3	0	0	0	0	0	113.7	N69 R70 P72	A50-N69 PolarHBondContact N-O 2.76Å; A50-R70 VanDerWaalsContact CB-C 3.48Å; A50-R70 WeakPolarHBondContact CB-O 3.41Å; A50-P72 HydrophobicContact CB-CB 4.13Å; A50-P72 WeakPolarHBondContact O-CA 3.39Å
51	G	85.3	Confident	90.4	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	-157.7	163.7	179.6	0	0	0	0	0	112.2	A48 N69	A48-G51 WeakPolarHBondContact CA-O 3.48Å; A48-G51 WeakPolarHBondContact CB-O 3.1Å; G51-N69 WeakPolarHBondContact CA-ND2 3.48Å; G51-N69 PolarHBondContact O-ND2 2.8Å
52	P	91	Very high	90.7	Very high	20 Å²	20	30.8 Å²	30.8	13%	0.13	16%	0.155	C	C	.	.			trans	-67.3	153.5	-178.3	28.7	-34.7	0	0	0	111.8	E31 N69 I75 M76	E31-P52 HydrophobicContact CB-CB 4Å; E31-P52 HydrophobicContact CG-CB 3.95Å; E31-P52 VanDerWaalsContact O-CA 3.3Å; E31-P52 WeakPolarHBondContact O-CA 3.26Å; P52-N69 PolarHBondContact O-ND2 2.8Å; P52-N69 VanDerWaalsContact O-ND2 3.17Å; P52-I75 HydrophobicContact CG-CB 4.24Å; P52-I75 HydrophobicContact CG-CD1 4.26Å; P52-I75 HydrophobicContact CG-CG1 3.75Å; P52-I75 HydrophobicContact CG-CG2 4.1Å; P52-M76 PolarHBondContact O-N 2.77Å
53	I	93.3	Very high	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	175.9	-61.6	169.9	0	0	0	108.8	E31 I32 I33 I46 A48 I55 I67 N69 M76 I78	E31-I53 PolarHBondContact O-N 2.75Å; I32-I53 CarbonylContact C-O 3.55Å; I32-I53 WeakPolarHBondContact CA-O 3.49Å; I33-I53 PolarHBondContact N-O 2.85Å; I46-I53 HydrophobicContact CG2-CD1 3.75Å; I46-I53 HydrophobicContact CG2-CG2 4.33Å; A48-I53 HydrophobicContact CB-CD1 3.99Å; A48-I53 HydrophobicContact CB-CG1 3.99Å; I53-I55 HydrophobicContact CG2-CD1 4.35Å; I53-I55 HydrophobicContact CG2-CG1 3.97Å; I53-I67 HydrophobicContact CD1-CG2 4.25Å; I53-I67 HydrophobicContact CG2-CG2 4.42Å; I53-N69 HydrophobicContact CD1-CB 4.16Å; I53-N69 HydrophobicContact CG1-CB 3.82Å; I53-M76 WeakPolarHBondContact CA-O 3.46Å; I53-M76 HydrophobicContact CG1-CB 4.15Å; I53-M76 HydrophobicContact CG1-SD 4.31Å; I53-I78 HydrophobicContact CG2-CD1 4.49Å
54	H	93.2	Very high	90.9	Very high	55 Å²	55	32.7 Å²	32.7	26%	0.255	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.2	174.4	-65	158.8	0	0	0	109.6	I33 I75 M76 K77 I78	I33-H54 WeakPolarHBondContact CD1-CD2 3.41Å; I33-H54 VanDerWaalsContact CD1-NE2 3.33Å; I33-H54 WeakPolarHBondContact CD1-NE2 3.48Å; H54-I75 VanDerWaalsContact ND1-CG2 3.32Å; H54-I75 WeakPolarHBondContact ND1-CG2 3.49Å; H54-M76 PolarHBondContact N-O 3.35Å; H54-K77 CarbonylContact O-C 3.6Å; H54-I78 PolarHBondContact O-N 2.81Å
55	I	94	Very high	91	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.2	175.9	-56.5	169	0	0	0	107.7	I32 I33 I34 G35 T38 I46 I53 N59 I61 I78	I32-I55 HydrophobicContact CG2-CD1 4.49Å; I33-I55 WeakPolarHBondContact O-CB 3.43Å; I33-I55 PolarHBondContact O-N 3.38Å; I34-I55 HydrophobicContact CG1-CD1 4.25Å; G35-I55 PolarHBondContact N-O 3.03Å; T38-I55 HydrophobicContact CG2-CG2 3.99Å; I46-I55 HydrophobicContact CD1-CD1 3.81Å; I46-I55 HydrophobicContact CG2-CD1 4.44Å; I53-I55 HydrophobicContact CG2-CD1 4.35Å; I53-I55 HydrophobicContact CG2-CG1 3.97Å; I55-N59 HydrophobicContact CG2-CB 4.03Å; I55-N59 WeakPolarHBondContact CG2-ND2 3.35Å; I55-I61 HydrophobicContact CD1-CD1 3.97Å; I55-I78 HydrophobicContact CG1-CD1 4Å; I55-I78 HydrophobicContact CG2-CG2 4.43Å
56	G	92.7	Very high	91.1	Very high	14 Å²	14	30 Å²	30	14%	0.144	16%	0.156	C	C	.	.			trans	-66.6	-165	175.4	0	0	0	0	0	113.2	G35 T38 N59 I78 G79 D80	G35-G56 VanDerWaalsContact CA-O 3.26Å; G35-G56 WeakPolarHBondContact CA-O 3.41Å; G35-G56 PolarHBondContact N-O 3.28Å; T38-G56 PolarHBondContact OG1-O 2.71Å; G56-N59 WeakPolarHBondContact CA-ND2 3.22Å; G56-N59 PolarHBondContact N-ND2 2.84Å; G56-N59 PolarHBondContact O-ND2 3.46Å; G56-I78 PolarHBondContact N-O 2.94Å; G56-G79 WeakPolarHBondContact CA-O 3.41Å; G56-G79 PolarHBondContact N-O 2.92Å; G56-D80 WeakPolarHBondContact CA-OD1 3.43Å
57	S	91	Very high	91.1	Very high	32 Å²	32	30 Å²	30	22%	0.224	16%	0.156	C	C	.	.	S	Bend	trans	-94.3	156	-178.3	-53.4	0	0	0	0	111.8	A36 N59 D80 Y81	A36-S57 PolarHBondContact N-OG 3.11Å; A36-S57 CarbonylContact O-C 3.6Å; A36-S57 WeakPolarHBondContact O-CA 3.45Å; A36-S57 WeakPolarHBondContact O-CB 3.39Å; S57-N59 PolarHBondContact O-N 2.78Å; S57-D80 PolarHBondContact N-OD1 2.84Å; S57-D80 VanDerWaalsContact O-CA 3.22Å; S57-D80 WeakPolarHBondContact O-CA 3.19Å; S57-D80 WeakPolarHBondContact O-CB 3.37Å; S57-Y81 PolarHBondContact O-N 3.09Å
58	F	88.9	Confident	91.2	Very high	70 Å²	70	28.6 Å²	28.6	31%	0.307	15%	0.149	S	C	.	.	S	Bend	trans	58.7	27.8	178.1	-56.5	-87.2	0	0	0	114.5	A36 N37 Y81	A36-F58 PolarHBondContact O-N 2.94Å; N37-F58 HydrophobicContact CB-CD1 3.53Å; N37-F58 HydrophobicContact CB-CD2 4.49Å; N37-F58 HydrophobicContact CB-CE1 3.52Å; N37-F58 HydrophobicContact CB-CE2 4.47Å; N37-F58 HydrophobicContact CB-CG 4.04Å; N37-F58 HydrophobicContact CB-CZ 4.01Å; F58-Y81 HydrophobicContact CB-CD1 3.58Å; F58-Y81 HydrophobicContact CB-CD2 4.43Å; F58-Y81 HydrophobicContact CB-CE1 3.52Å; F58-Y81 HydrophobicContact CB-CE2 4.39Å; F58-Y81 HydrophobicContact CB-CG 4.04Å; F58-Y81 HydrophobicContact CD1-CE1 4.06Å; F58-Y81 AromaticContact CD2-CE1 3.99Å; F58-Y81 HydrophobicContact CD2-CE1 3.99Å; F58-Y81 HydrophobicContact CD2-CE2 4.04Å; F58-Y81 AromaticContact CD2-CZ 3.59Å; F58-Y81 WeakPolarHBondContact CD2-OH 3.47Å; F58-Y81 HydrophobicContact CG-CD1 4.19Å; F58-Y81 AromaticContact CG-CE1 3.6Å; F58-Y81 HydrophobicContact CG-CE1 3.6Å; F58-Y81 HydrophobicContact CG-CE2 4.41Å; F58-Y81 AromaticContact CG-CZ 3.72Å; F58-Y81 WeakPolarHBondContact O-CA 3.22Å
59	N	91.8	Very high	91.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.			trans	-84.7	148.6	173.9	-67	-69.2	0	0	0	111.1	T38 I39 I55 G56 S57 G79 N82	T38-N59 CarbonylContact C-O 3.51Å; T38-N59 VanDerWaalsContact CA-O 3.23Å; T38-N59 WeakPolarHBondContact CA-O 3.26Å; T38-N59 HydrophobicContact CG2-CB 3.88Å; T38-N59 PolarHBondContact OG1-N 3.18Å; I39-N59 PolarHBondContact N-O 3.15Å; I55-N59 HydrophobicContact CG2-CB 4.03Å; I55-N59 WeakPolarHBondContact CG2-ND2 3.35Å; G56-N59 WeakPolarHBondContact CA-ND2 3.22Å; G56-N59 PolarHBondContact N-ND2 2.84Å; G56-N59 PolarHBondContact O-ND2 3.46Å; S57-N59 PolarHBondContact O-N 2.78Å; N59-G79 PolarHBondContact ND2-O 3.12Å; N59-G79 PolarHBondContact OD1-O 2.8Å; N59-G79 VanDerWaalsContact OD1-O 3.11Å; N59-N82 CarbonylContact C-O 3.55Å; N59-N82 VanDerWaalsContact CA-O 3.26Å; N59-N82 WeakPolarHBondContact CA-O 3.3Å; N59-N82 WeakPolarHBondContact OD1-CA 3.23Å; N59-N82 WeakPolarHBondContact OD1-CB 3.02Å; N59-N82 PolarHBondContact OD1-N 3.35Å; N59-N82 PolarHBondContact OD1-ND2 2.94Å; N59-N82 VanDerWaalsContact OD1-ND2 3.1Å
60	L	90.2	Very high	91.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.9	172.4	178.1	66.4	0	0	0	109.2	I39 E62 N82 V83 F84 L158 L161	I39-L60 HydrophobicContact CB-CD1 3.8Å; I39-L60 HydrophobicContact CG2-CD1 3.79Å; L60-E62 HydrophobicContact CD2-CG 4.38Å; L60-E62 HydrophobicContact CG-CG 4.23Å; L60-N82 PolarHBondContact N-O 3.39Å; L60-V83 HydrophobicContact CB-CG1 4.44Å; L60-V83 HydrophobicContact CB-CG2 4.09Å; L60-V83 HydrophobicContact CD2-CG1 3.99Å; L60-V83 HydrophobicContact CD2-CG2 4.44Å; L60-F84 PolarHBondContact O-N 2.79Å; L60-L158 HydrophobicContact CB-CD2 3.85Å; L60-L161 HydrophobicContact CD1-CD1 4.28Å; L60-L161 HydrophobicContact CD2-CD1 3.24Å; L60-L161 HydrophobicContact CG-CD1 4.4Å
61	I	93.3	Very high	90.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	108.5	177.1	-63.1	172.6	0	0	0	107	I39 I40 H41 A44 I46 I55 V65 I67 F84	I39-I61 PolarHBondContact O-N 2.92Å; I40-I61 WeakPolarHBondContact CA-O 3.42Å; I40-I61 HydrophobicContact CG1-CB 4.36Å; I40-I61 HydrophobicContact CG1-CD1 4.18Å; I40-I61 HydrophobicContact CG2-CG2 4.35Å; H41-I61 WeakPolarHBondContact CB-O 3.43Å; H41-I61 PolarHBondContact CD2-O 2.8Å; H41-I61 PolarHBondContact N-O 2.8Å; A44-I61 HydrophobicContact CB-CG2 3.88Å; I46-I61 HydrophobicContact CD1-CD1 3.92Å; I55-I61 HydrophobicContact CD1-CD1 3.97Å; I61-V65 HydrophobicContact CG2-CB 3.76Å; I61-V65 HydrophobicContact CG2-CG1 3.77Å; I61-V65 HydrophobicContact CG2-CG2 4.29Å; I61-I67 HydrophobicContact CD1-CD1 3.69Å; I61-I67 HydrophobicContact CG1-CD1 4.29Å; I61-F84 HydrophobicContact CG1-CD2 3.91Å
62	E	90.7	Very high	90.6	Very high	40 Å²	40	34 Å²	34	19%	0.187	17%	0.172	C	C	.	.			trans	-80.9	-179	-178.6	-66.1	-168.7	179.8	0	0	113.3	H41 L60 V65 F84 V86	H41-E62 VanDerWaalsContact CB-C 3.47Å; L60-E62 HydrophobicContact CD2-CG 4.38Å; L60-E62 HydrophobicContact CG-CG 4.23Å; E62-V65 HydrophobicContact CB-CG2 4.39Å; E62-V65 WeakPolarHBondContact O-CB 3.39Å; E62-V65 VanDerWaalsContact O-CG2 3.26Å; E62-V65 WeakPolarHBondContact O-CG2 3.47Å; E62-F84 WeakPolarHBondContact CB-O 3.14Å; E62-F84 VanDerWaalsContact CG-O 3.31Å; E62-F84 WeakPolarHBondContact CG-O 3.37Å; E62-F84 PolarHBondContact N-O 2.83Å; E62-V86 HydrophobicContact CB-CG2 4.19Å; E62-V86 WeakPolarHBondContact OE2-CG2 3.43Å; E62-V86 PolarHBondContact OE2-N 3.3Å; E62-V86 VanDerWaalsContact OE2-N 3.13Å
63	E	89.6	Confident	90	Very high	58 Å²	58	36.8 Å²	36.8	27%	0.271	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	147.8	-178	171.2	171.2	-175.8	0	0	111.1	H41 P42 K43 V65 V86 G87	H41-E63 HydrophobicContact CB-CB 4.4Å; P42-E63 WeakPolarHBondContact O-CA 3.48Å; P42-E63 WeakPolarHBondContact O-CB 3.48Å; P42-E63 WeakPolarHBondContact O-CG 3.38Å; K43-E63 HydrophobicContact CB-CG 4.29Å; K43-E63 HydrophobicContact CD-CG 4.47Å; K43-E63 WeakPolarHBondContact CD-OE1 3.44Å; K43-E63 WeakPolarHBondContact CE-OE1 3.32Å; K43-E63 IonicContact NZ-OE1 2.72Å; K43-E63 PolarHBondContact NZ-OE1 2.99Å; E63-V65 PolarHBondContact O-N 3.25Å; E63-V86 VanDerWaalsContact O-CA 3.28Å; E63-V86 WeakPolarHBondContact O-CA 3.25Å; E63-V86 WeakPolarHBondContact O-CG1 3.46Å; E63-G87 PolarHBondContact O-N 3.16Å; E63-G87 VanDerWaalsContact O-N 3.11Å
64	Q	91.6	Very high	89.6	Confident	106 Å²	106	38.3 Å²	38.3	50%	0.495	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	9.6	179.5	-66.1	161.8	43.9	0	0	114.9	V86 G87	Q64-V86 HydrophobicContact CB-CG1 4.49Å; Q64-G87 WeakPolarHBondContact O-CA 3.24Å
65	V	95.2	Very high	89.3	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.22	C	C	.	.			trans	-69.6	135.2	172	174.4	0	0	0	0	109.7	A44 R45 I61 E62 E63 I67 F84 E85 A88	A44-V65 CarbonylContact C-O 3.58Å; A44-V65 WeakPolarHBondContact CA-O 3.19Å; R45-V65 PolarHBondContact N-O 2.72Å; I61-V65 HydrophobicContact CG2-CB 3.76Å; I61-V65 HydrophobicContact CG2-CG1 3.77Å; I61-V65 HydrophobicContact CG2-CG2 4.29Å; E62-V65 HydrophobicContact CB-CG2 4.39Å; E62-V65 WeakPolarHBondContact O-CB 3.39Å; E62-V65 VanDerWaalsContact O-CG2 3.26Å; E62-V65 WeakPolarHBondContact O-CG2 3.47Å; E63-V65 PolarHBondContact O-N 3.25Å; V65-I67 HydrophobicContact CG1-CD1 4.36Å; V65-I67 HydrophobicContact CG1-CG1 3.97Å; V65-F84 HydrophobicContact CG1-CB 3.9Å; V65-F84 HydrophobicContact CG1-CG 4.35Å; V65-F84 HydrophobicContact CG2-CB 3.92Å; V65-E85 VanDerWaalsContact CG2-O 3.23Å; V65-E85 WeakPolarHBondContact CG2-O 3.38Å; V65-A88 WeakPolarHBondContact CA-O 3.5Å; V65-A88 HydrophobicContact CG2-CB 4.26Å
66	E	94.6	Very high	89.2	Confident	27 Å²	27	38.8 Å²	38.8	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.9	177.1	174.8	165.8	-158.1	0	0	110.5	R45 V68 A88 H89 C90	R45-E66 HydrophobicContact CB-CB 4.47Å; R45-E66 IonicContact CZ-OE1 3.16Å; R45-E66 IonicContact NH1-OE1 3.5Å; R45-E66 PolarHBondContact NH1-OE1 2.92Å; R45-E66 IonicContact NH1-OE2 2.91Å; R45-E66 PolarHBondContact NH1-OE2 3.42Å; R45-E66 IonicContact NH2-OE1 2.95Å; R45-E66 PolarHBondContact NH2-OE1 2.97Å; R45-E66 CarbonylContact O-C 3.59Å; R45-E66 VanDerWaalsContact O-CA 3.32Å; R45-E66 WeakPolarHBondContact O-CA 3.37Å; E66-V68 HydrophobicContact CG-CG2 3.52Å; E66-A88 PolarHBondContact N-O 2.76Å; E66-H89 CarbonylContact O-C 3.54Å; E66-H89 WeakPolarHBondContact O-CA 3.43Å; E66-H89 IonicContact OE2-CD2 3.94Å; E66-H89 IonicContact OE2-NE2 2.83Å; E66-C90 PolarHBondContact O-N 3.28Å
67	I	94.3	Very high	89.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.5	177.3	-56.8	179	0	0	0	107.5	R45 I46 I47 I53 I61 V65 M76 I78 C90	R45-I67 PolarHBondContact O-N 3.13Å; I46-I67 CarbonylContact C-O 3.49Å; I46-I67 WeakPolarHBondContact CA-O 3.33Å; I46-I67 HydrophobicContact CD1-CD1 4.49Å; I46-I67 HydrophobicContact CG1-CB 4.4Å; I46-I67 HydrophobicContact CG1-CD1 4.45Å; I46-I67 HydrophobicContact CG2-CB 4.28Å; I46-I67 HydrophobicContact CG2-CG2 4.44Å; I47-I67 PolarHBondContact N-O 3.23Å; I53-I67 HydrophobicContact CD1-CG2 4.25Å; I53-I67 HydrophobicContact CG2-CG2 4.42Å; I61-I67 HydrophobicContact CD1-CD1 3.69Å; I61-I67 HydrophobicContact CG1-CD1 4.29Å; V65-I67 HydrophobicContact CG1-CD1 4.36Å; V65-I67 HydrophobicContact CG1-CG1 3.97Å; I67-M76 HydrophobicContact CG2-CE 3.64Å; I67-M76 HydrophobicContact CG2-SD 3.66Å; I67-I78 HydrophobicContact CD1-CD1 4.01Å; I67-I78 HydrophobicContact CG2-CD1 4.01Å; I67-C90 WeakPolarHBondContact CA-O 3.34Å; I67-C90 HydrophobicContact CG1-CB 4.32Å
68	V	92.5	Very high	89.3	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.1	-177.3	-172.1	0	0	0	0	111.1	I47 E49 E66 R70 C90 Y91	I47-V68 HydrophobicContact CB-CG1 4.15Å; I47-V68 HydrophobicContact CB-CG2 4.13Å; I47-V68 HydrophobicContact CD1-CG2 4.44Å; I47-V68 HydrophobicContact CG2-CG1 4.38Å; I47-V68 WeakPolarHBondContact O-CA 3.32Å; E49-V68 HydrophobicContact CB-CG1 4.27Å; E66-V68 HydrophobicContact CG-CG2 3.52Å; V68-R70 HydrophobicContact CB-CG 4.49Å; V68-R70 HydrophobicContact CG1-CG 3.78Å; V68-R70 PolarHBondContact O-N 3.22Å; V68-C90 PolarHBondContact N-O 3.25Å; V68-C90 VanDerWaalsContact N-O 3.12Å; V68-Y91 HydrophobicContact CB-CD1 3.75Å; V68-Y91 HydrophobicContact CB-CE1 3.68Å; V68-Y91 HydrophobicContact CG2-CD1 4.39Å; V68-Y91 HydrophobicContact CG2-CE1 3.85Å
69	N	90.1	Very high	89.5	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	22%	0.217	C	C	.	.			trans	-89.7	98.6	172.2	-174.7	2.7	0	0	0	110.3	I47 E49 A50 G51 P52 I53 I71 S74 M76	I47-N69 PolarHBondContact O-N 3.31Å; E49-N69 PolarHBondContact N-O 3.11Å; A50-N69 PolarHBondContact N-O 2.76Å; G51-N69 WeakPolarHBondContact CA-ND2 3.48Å; G51-N69 PolarHBondContact O-ND2 2.8Å; P52-N69 PolarHBondContact O-ND2 2.8Å; P52-N69 VanDerWaalsContact O-ND2 3.17Å; I53-N69 HydrophobicContact CD1-CB 4.16Å; I53-N69 HydrophobicContact CG1-CB 3.82Å; N69-I71 PolarHBondContact OD1-N 2.96Å; N69-I71 PolarHBondContact OD1-O 3.03Å; N69-S74 PolarHBondContact ND2-O 3.12Å; N69-M76 HydrophobicContact CB-CB 4.01Å; N69-M76 HydrophobicContact CB-SD 4.33Å; N69-M76 PolarHBondContact ND2-N 3.03Å
70	R	84.5	Confident	89.5	Confident	130 Å²	130	42.2 Å²	42.2	49%	0.491	23%	0.233	S	C	.	.			trans	-89.9	-5.1	179.3	-62.4	-175.1	-179.8	167.7	4.6	114	A50 V68 P72 Y91	A50-R70 VanDerWaalsContact CB-C 3.48Å; A50-R70 WeakPolarHBondContact CB-O 3.41Å; V68-R70 HydrophobicContact CB-CG 4.49Å; V68-R70 HydrophobicContact CG1-CG 3.78Å; V68-R70 PolarHBondContact O-N 3.22Å; R70-P72 WeakPolarHBondContact O-CD 3.25Å; R70-Y91 VanDerWaalsContact NH2-CE1 3.27Å; R70-Y91 PolarHBondContact NH2-OH 2.84Å
71	I	80.9	Confident	89.4	Confident	39 Å²	39	46 Å²	46	20%	0.2	25%	0.247	C	C	.	.	S	Bend	trans	-96.9	112	-172.5	-62.6	179	0	0	0	110.2	N69 G73 S74 L93 S109	N69-I71 PolarHBondContact OD1-N 2.96Å; N69-I71 PolarHBondContact OD1-O 3.03Å; I71-G73 PolarHBondContact O-N 3.17Å; I71-S74 PolarHBondContact O-N 3.27Å; I71-L93 HydrophobicContact CD1-CD2 3.41Å; I71-L93 VanDerWaalsContact CD1-CD2 3.41Å; I71-L93 HydrophobicContact CD1-CG 3.9Å; I71-L93 HydrophobicContact CG2-CD2 4.45Å; I71-S109 WeakPolarHBondContact CD1-O 3.12Å
72	P	79.4	Confident	89.3	Confident	107 Å²	107	46 Å²	46	70%	0.695	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	128.3	-178.7	26	-33	0	0	0	111.1	A50 R70 S74	A50-P72 HydrophobicContact CB-CB 4.13Å; A50-P72 WeakPolarHBondContact O-CA 3.39Å; R70-P72 WeakPolarHBondContact O-CD 3.25Å; P72-S74 VanDerWaalsContact C-N 3.28Å; P72-S74 PolarHBondContact O-N 2.7Å
73	G	77.7	Confident	89.3	Confident	78 Å²	78	44.2 Å²	44.2	80%	0.804	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-1	178.2	0	0	0	0	0	115.5	I71	I71-G73 PolarHBondContact O-N 3.17Å
74	S	84.8	Confident	89.5	Confident	32 Å²	32	41.5 Å²	41.5	22%	0.224	23%	0.226	C	C	.	.			trans	-94.7	137.2	168.2	-167	0	0	0	0	110.2	N69 I71 P72 L93	N69-S74 PolarHBondContact ND2-O 3.12Å; I71-S74 PolarHBondContact O-N 3.27Å; P72-S74 VanDerWaalsContact C-N 3.28Å; P72-S74 PolarHBondContact O-N 2.7Å; S74-L93 WeakPolarHBondContact OG-CD2 3.47Å
75	I	87.8	Confident	89.5	Confident	70 Å²	70	39.2 Å²	39.2	36%	0.359	22%	0.216	S	C	.	.			trans	-91.1	115.9	172.5	-54.8	-173.1	0	0	0	106.8	P52 H54 K77	P52-I75 HydrophobicContact CG-CB 4.24Å; P52-I75 HydrophobicContact CG-CD1 4.26Å; P52-I75 HydrophobicContact CG-CG1 3.75Å; P52-I75 HydrophobicContact CG-CG2 4.1Å; H54-I75 VanDerWaalsContact ND1-CG2 3.32Å; H54-I75 WeakPolarHBondContact ND1-CG2 3.49Å; I75-K77 HydrophobicContact CG2-CG 4.1Å; I75-K77 PolarHBondContact O-N 3.13Å
76	M	91.3	Very high	89.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	112.4	172.9	-177.7	176.9	-169.7	0	0	108.3	P52 I53 H54 I67 N69 I78 C90 A92	P52-M76 PolarHBondContact O-N 2.77Å; I53-M76 WeakPolarHBondContact CA-O 3.46Å; I53-M76 HydrophobicContact CG1-CB 4.15Å; I53-M76 HydrophobicContact CG1-SD 4.31Å; H54-M76 PolarHBondContact N-O 3.35Å; I67-M76 HydrophobicContact CG2-CE 3.64Å; I67-M76 HydrophobicContact CG2-SD 3.66Å; N69-M76 HydrophobicContact CB-CB 4.01Å; N69-M76 HydrophobicContact CB-SD 4.33Å; N69-M76 PolarHBondContact ND2-N 3.03Å; M76-I78 HydrophobicContact CE-CD1 4.19Å; M76-I78 HydrophobicContact CE-CG1 4.41Å; M76-C90 HydrophobicContact CE-CB 4.3Å; M76-C90 WeakPolarHBondContact CE-SG 3.5Å; M76-A92 HydrophobicContact CE-CB 4.46Å; M76-A92 WeakPolarHBondContact CE-O 3.48Å; M76-A92 WeakPolarHBondContact CG-O 3.49Å
77	K	91.9	Very high	89.2	Confident	106 Å²	106	41 Å²	41	46%	0.461	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127	177.6	-64.1	179.8	-173.5	174.2	0	109.3	H54 I75 E94 V95	H54-K77 CarbonylContact O-C 3.6Å; I75-K77 HydrophobicContact CG2-CG 4.1Å; I75-K77 PolarHBondContact O-N 3.13Å; K77-E94 CarbonylContact O-C 3.51Å; K77-E94 WeakPolarHBondContact O-CA 3.33Å; K77-V95 PolarHBondContact O-N 3.21Å
78	I	94.4	Very high	89.1	Confident	6 Å²	6	41 Å²	41	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.1	169.7	-64.1	163	0	0	0	106	I53 H54 I55 G56 I67 M76 N82 F84 V95	I53-I78 HydrophobicContact CG2-CD1 4.49Å; H54-I78 PolarHBondContact O-N 2.81Å; I55-I78 HydrophobicContact CG1-CD1 4Å; I55-I78 HydrophobicContact CG2-CG2 4.43Å; G56-I78 PolarHBondContact N-O 2.94Å; I67-I78 HydrophobicContact CD1-CD1 4.01Å; I67-I78 HydrophobicContact CG2-CD1 4.01Å; M76-I78 HydrophobicContact CE-CD1 4.19Å; M76-I78 HydrophobicContact CE-CG1 4.41Å; I78-N82 HydrophobicContact CG2-CB 4.48Å; I78-F84 HydrophobicContact CD1-CZ 4.31Å; I78-F84 HydrophobicContact CG2-CE2 4.13Å; I78-F84 HydrophobicContact CG2-CZ 4.26Å; I78-V95 CarbonylContact C-O 3.55Å; I78-V95 WeakPolarHBondContact CA-O 3.23Å; I78-V95 HydrophobicContact CB-CB 4.44Å; I78-V95 HydrophobicContact CG1-CB 4.13Å; I78-V95 HydrophobicContact CG1-CG2 4.27Å; I78-V95 HydrophobicContact CG2-CB 4.47Å; I78-V95 HydrophobicContact CG2-CG1 4.45Å
79	G	92.8	Very high	89.2	Confident	14 Å²	14	42.9 Å²	42.9	14%	0.144	24%	0.238	C	C	.	.			trans	-70.9	-156.6	-179.9	0	0	0	0	0	113.2	G56 N59 N82 V95 G96 D97	G56-G79 WeakPolarHBondContact CA-O 3.41Å; G56-G79 PolarHBondContact N-O 2.92Å; N59-G79 PolarHBondContact ND2-O 3.12Å; N59-G79 PolarHBondContact OD1-O 2.8Å; N59-G79 VanDerWaalsContact OD1-O 3.11Å; G79-N82 VanDerWaalsContact C-ND2 3.26Å; G79-N82 PolarHBondContact O-ND2 2.78Å; G79-N82 VanDerWaalsContact O-ND2 3.15Å; G79-V95 PolarHBondContact N-O 2.89Å; G79-G96 VanDerWaalsContact CA-O 3.31Å; G79-G96 WeakPolarHBondContact CA-O 3.22Å; G79-G96 PolarHBondContact N-O 3.31Å; G79-D97 WeakPolarHBondContact CA-OD1 3.14Å
80	D	91.9	Very high	89.3	Confident	63 Å²	63	42.7 Å²	42.7	34%	0.337	24%	0.237	S	C	.	.	S	Bend	trans	-98.1	154.2	-176.4	-59.8	-26.5	0	0	0	111.7	G56 S57 N82 D97 N98	G56-D80 WeakPolarHBondContact CA-OD1 3.43Å; S57-D80 PolarHBondContact N-OD1 2.84Å; S57-D80 VanDerWaalsContact O-CA 3.22Å; S57-D80 WeakPolarHBondContact O-CA 3.19Å; S57-D80 WeakPolarHBondContact O-CB 3.37Å; D80-N82 VanDerWaalsContact C-N 3.29Å; D80-N82 PolarHBondContact O-N 2.8Å; D80-D97 PolarHBondContact N-OD1 2.94Å; D80-D97 CarbonylContact O-C 3.56Å; D80-D97 WeakPolarHBondContact O-CA 3.47Å; D80-D97 WeakPolarHBondContact O-CB 3.42Å; D80-N98 PolarHBondContact O-N 2.86Å
81	Y	88.6	Confident	89.6	Confident	81 Å²	81	38.2 Å²	38.2	32%	0.318	22%	0.22	S	C	.	.	S	Bend	trans	60.4	28.5	174.7	-59.2	-86.3	0	0	0	115.5	S57 F58 N98 L158	S57-Y81 PolarHBondContact O-N 3.09Å; F58-Y81 HydrophobicContact CB-CD1 3.58Å; F58-Y81 HydrophobicContact CB-CD2 4.43Å; F58-Y81 HydrophobicContact CB-CE1 3.52Å; F58-Y81 HydrophobicContact CB-CE2 4.39Å; F58-Y81 HydrophobicContact CB-CG 4.04Å; F58-Y81 HydrophobicContact CD1-CE1 4.06Å; F58-Y81 AromaticContact CD2-CE1 3.99Å; F58-Y81 HydrophobicContact CD2-CE1 3.99Å; F58-Y81 HydrophobicContact CD2-CE2 4.04Å; F58-Y81 AromaticContact CD2-CZ 3.59Å; F58-Y81 WeakPolarHBondContact CD2-OH 3.47Å; F58-Y81 HydrophobicContact CG-CD1 4.19Å; F58-Y81 AromaticContact CG-CE1 3.6Å; F58-Y81 HydrophobicContact CG-CE1 3.6Å; F58-Y81 HydrophobicContact CG-CE2 4.41Å; F58-Y81 AromaticContact CG-CZ 3.72Å; F58-Y81 WeakPolarHBondContact O-CA 3.22Å; Y81-N98 VanDerWaalsContact CB-OD1 3.25Å; Y81-N98 WeakPolarHBondContact CB-OD1 3.49Å; Y81-N98 WeakPolarHBondContact O-CA 3.47Å; Y81-L158 HydrophobicContact CD1-CD1 3.76Å
82	N	91.6	Very high	90	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.			trans	-87	146.9	173.1	-54.9	-75.1	0	0	0	111.7	N59 L60 I78 G79 D80 F84 G96 N99	N59-N82 CarbonylContact C-O 3.55Å; N59-N82 VanDerWaalsContact CA-O 3.26Å; N59-N82 WeakPolarHBondContact CA-O 3.3Å; N59-N82 WeakPolarHBondContact OD1-CA 3.23Å; N59-N82 WeakPolarHBondContact OD1-CB 3.02Å; N59-N82 PolarHBondContact OD1-N 3.35Å; N59-N82 PolarHBondContact OD1-ND2 2.94Å; N59-N82 VanDerWaalsContact OD1-ND2 3.1Å; L60-N82 PolarHBondContact N-O 3.39Å; I78-N82 HydrophobicContact CG2-CB 4.48Å; G79-N82 VanDerWaalsContact C-ND2 3.26Å; G79-N82 PolarHBondContact O-ND2 2.78Å; G79-N82 VanDerWaalsContact O-ND2 3.15Å; D80-N82 VanDerWaalsContact C-N 3.29Å; D80-N82 PolarHBondContact O-N 2.8Å; N82-F84 HydrophobicContact CB-CE2 4.03Å; N82-G96 PolarHBondContact ND2-O 3.47Å; N82-G96 PolarHBondContact OD1-O 2.87Å; N82-N99 CarbonylContact C-O 3.58Å; N82-N99 VanDerWaalsContact CA-O 3.25Å; N82-N99 WeakPolarHBondContact CA-O 3.38Å; N82-N99 WeakPolarHBondContact OD1-CA 3.14Å; N82-N99 WeakPolarHBondContact OD1-CB 3.46Å; N82-N99 PolarHBondContact OD1-N 3.48Å; N82-N99 PolarHBondContact OD1-ND2 2.79Å
83	V	90.1	Very high	90.3	Very high	4 Å²	4	33 Å²	33	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.5	177.4	173.8	0	0	0	0	110	L60 E85 N99 F101 L158	L60-V83 HydrophobicContact CB-CG1 4.44Å; L60-V83 HydrophobicContact CB-CG2 4.09Å; L60-V83 HydrophobicContact CD2-CG1 3.99Å; L60-V83 HydrophobicContact CD2-CG2 4.44Å; V83-E85 HydrophobicContact CG1-CG 4.42Å; V83-N99 PolarHBondContact N-O 2.81Å; V83-F101 WeakPolarHBondContact O-CB 3.36Å; V83-F101 WeakPolarHBondContact O-CD2 3.33Å; V83-F101 PolarHBondContact O-N 2.8Å; V83-L158 HydrophobicContact CG2-CD2 4.3Å
84	F	94	Very high	90.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106.6	173	-59.7	-93.6	0	0	0	109.5	L60 I61 E62 V65 I78 N82 A88 C90 F101	L60-F84 PolarHBondContact O-N 2.79Å; I61-F84 HydrophobicContact CG1-CD2 3.91Å; E62-F84 WeakPolarHBondContact CB-O 3.14Å; E62-F84 VanDerWaalsContact CG-O 3.31Å; E62-F84 WeakPolarHBondContact CG-O 3.37Å; E62-F84 PolarHBondContact N-O 2.83Å; V65-F84 HydrophobicContact CG1-CB 3.9Å; V65-F84 HydrophobicContact CG1-CG 4.35Å; V65-F84 HydrophobicContact CG2-CB 3.92Å; I78-F84 HydrophobicContact CD1-CZ 4.31Å; I78-F84 HydrophobicContact CG2-CE2 4.13Å; I78-F84 HydrophobicContact CG2-CZ 4.26Å; N82-F84 HydrophobicContact CB-CE2 4.03Å; F84-A88 HydrophobicContact CB-CB 4.44Å; F84-C90 HydrophobicContact CD1-CB 4.43Å; F84-C90 HydrophobicContact CE1-CB 3.86Å; F84-F101 HydrophobicContact CD1-CB 3.87Å; F84-F101 AromaticContact CD1-CD2 3.31Å; F84-F101 HydrophobicContact CD1-CD2 3.31Å; F84-F101 AromaticContact CD1-CE2 3.97Å; F84-F101 HydrophobicContact CD1-CE2 3.97Å; F84-F101 AromaticContact CD1-CG 3.67Å; F84-F101 HydrophobicContact CD1-CG 3.67Å; F84-F101 HydrophobicContact CD2-CD2 4.34Å; F84-F101 HydrophobicContact CE1-CB 4.46Å; F84-F101 HydrophobicContact CE1-CD1 4.42Å; F84-F101 AromaticContact CE1-CD2 3.16Å; F84-F101 HydrophobicContact CE1-CD2 3.16Å; F84-F101 HydrophobicContact CE1-CE1 4.5Å; F84-F101 AromaticContact CE1-CE2 3.29Å; F84-F101 HydrophobicContact CE1-CE2 3.29Å; F84-F101 AromaticContact CE1-CG 3.77Å; F84-F101 HydrophobicContact CE1-CG 3.77Å; F84-F101 AromaticContact CE1-CZ 3.98Å; F84-F101 HydrophobicContact CE1-CZ 3.98Å; F84-F101 HydrophobicContact CE2-CD2 4.23Å; F84-F101 HydrophobicContact CE2-CE2 4.27Å; F84-F101 HydrophobicContact CG-CB 4.45Å; F84-F101 AromaticContact CG-CD2 3.92Å; F84-F101 HydrophobicContact CG-CD2 3.92Å; F84-F101 HydrophobicContact CG-CG 4.48Å; F84-F101 AromaticContact CZ-CD2 3.67Å; F84-F101 HydrophobicContact CZ-CD2 3.67Å; F84-F101 AromaticContact CZ-CE2 3.48Å; F84-F101 HydrophobicContact CZ-CE2 3.48Å; F84-F101 VanDerWaalsContact CZ-CE2 3.48Å; F84-F101 HydrophobicContact CZ-CZ 4.34Å
85	E	90.7	Very high	91.3	Very high	59 Å²	59	31.7 Å²	31.7	28%	0.276	16%	0.157	S	C	.	.			trans	-75	168	177.3	-65.7	-171.6	177.9	0	0	112.5	V65 V83 G87 A88 F101 E102 A103	V65-E85 VanDerWaalsContact CG2-O 3.23Å; V65-E85 WeakPolarHBondContact CG2-O 3.38Å; V83-E85 HydrophobicContact CG1-CG 4.42Å; E85-G87 PolarHBondContact O-N 2.95Å; E85-A88 WeakPolarHBondContact O-CB 3.4Å; E85-A88 PolarHBondContact O-N 3.04Å; E85-A88 VanDerWaalsContact O-N 3.14Å; E85-F101 VanDerWaalsContact CB-O 3.29Å; E85-F101 WeakPolarHBondContact CB-O 3.42Å; E85-F101 WeakPolarHBondContact CG-O 3.35Å; E85-F101 PolarHBondContact N-O 2.77Å; E85-E102 WeakPolarHBondContact OE2-CA 3.19Å; E85-A103 HydrophobicContact CB-CB 4.45Å; E85-A103 PolarHBondContact OE2-N 2.91Å
86	V	91.6	Very high	91.5	Very high	58 Å²	58	28.8 Å²	28.8	35%	0.352	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	124.1	-175.5	-173.1	0	0	0	0	113.4	E62 E63 Q64 A88 A103 K104	E62-V86 HydrophobicContact CB-CG2 4.19Å; E62-V86 WeakPolarHBondContact OE2-CG2 3.43Å; E62-V86 PolarHBondContact OE2-N 3.3Å; E62-V86 VanDerWaalsContact OE2-N 3.13Å; E63-V86 VanDerWaalsContact O-CA 3.28Å; E63-V86 WeakPolarHBondContact O-CA 3.25Å; E63-V86 WeakPolarHBondContact O-CG1 3.46Å; Q64-V86 HydrophobicContact CB-CG1 4.49Å; V86-A88 VanDerWaalsContact C-N 3.34Å; V86-A88 PolarHBondContact O-N 2.94Å; V86-A103 VanDerWaalsContact O-CA 3.29Å; V86-A103 WeakPolarHBondContact O-CA 3.26Å; V86-A103 WeakPolarHBondContact O-CB 3.33Å; V86-K104 PolarHBondContact O-N 2.79Å
87	G	91.4	Very high	91.5	Very high	6 Å²	6	31.2 Å²	31.2	6%	0.062	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	11.8	174.1	0	0	0	0	0	115.5	E63 Q64 E85 H89 K104	E63-G87 PolarHBondContact O-N 3.16Å; E63-G87 VanDerWaalsContact O-N 3.11Å; Q64-G87 WeakPolarHBondContact O-CA 3.24Å; E85-G87 PolarHBondContact O-N 2.95Å; G87-H89 PolarHBondContact O-CE1 2.82Å; G87-H89 PolarHBondContact O-ND1 2.91Å; G87-K104 WeakPolarHBondContact O-CA 3.16Å
88	A	93.4	Very high	91.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.			trans	-65.1	134.8	173.5	0	0	0	0	0	111.7	V65 E66 F84 E85 V86 F101 C105	V65-A88 WeakPolarHBondContact CA-O 3.5Å; V65-A88 HydrophobicContact CG2-CB 4.26Å; E66-A88 PolarHBondContact N-O 2.76Å; F84-A88 HydrophobicContact CB-CB 4.44Å; E85-A88 WeakPolarHBondContact O-CB 3.4Å; E85-A88 PolarHBondContact O-N 3.04Å; E85-A88 VanDerWaalsContact O-N 3.14Å; V86-A88 VanDerWaalsContact C-N 3.34Å; V86-A88 PolarHBondContact O-N 2.94Å; A88-F101 HydrophobicContact CB-CB 4.33Å; A88-C105 VanDerWaalsContact CB-SG 3.56Å
89	H	93.4	Very high	91	Very high	43 Å²	43	29.5 Å²	29.5	20%	0.199	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.2	173.7	-58.5	92.3	0	0	0	110.1	E66 G87 Y91 C105 H106 I107	E66-H89 CarbonylContact O-C 3.54Å; E66-H89 WeakPolarHBondContact O-CA 3.43Å; E66-H89 IonicContact OE2-CD2 3.94Å; E66-H89 IonicContact OE2-NE2 2.83Å; G87-H89 PolarHBondContact O-CE1 2.82Å; G87-H89 PolarHBondContact O-ND1 2.91Å; H89-Y91 HydrophobicContact CB-CE2 3.85Å; H89-C105 PolarHBondContact N-O 3.37Å; H89-H106 AromaticContact CE1-NE2 3.53Å; H89-H106 AromaticContact CG-CD2 3.85Å; H89-H106 AromaticContact CG-NE2 3.99Å; H89-H106 AromaticContact ND1-CD2 3.4Å; H89-H106 PolarHBondContact ND1-CD2 3.07Å; H89-H106 AromaticContact ND1-CE1 3.7Å; H89-H106 AromaticContact ND1-NE2 3.13Å; H89-H106 PolarHBondContact ND1-NE2 3.02Å; H89-H106 VanDerWaalsContact ND1-NE2 3.13Å; H89-I107 PolarHBondContact O-N 2.86Å
90	C	93.4	Very high	90.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.9	-179.5	-169.3	0	0	0	0	111.3	E66 I67 V68 M76 F84 I107	E66-C90 PolarHBondContact O-N 3.28Å; I67-C90 WeakPolarHBondContact CA-O 3.34Å; I67-C90 HydrophobicContact CG1-CB 4.32Å; V68-C90 PolarHBondContact N-O 3.25Å; V68-C90 VanDerWaalsContact N-O 3.12Å; M76-C90 HydrophobicContact CE-CB 4.3Å; M76-C90 WeakPolarHBondContact CE-SG 3.5Å; F84-C90 HydrophobicContact CD1-CB 4.43Å; F84-C90 HydrophobicContact CE1-CB 3.86Å; C90-I107 HydrophobicContact CB-CD1 3.93Å
91	Y	91.5	Very high	90.8	Very high	36 Å²	36	26.2 Å²	26.2	14%	0.141	13%	0.132	C	C	.	.			trans	-106.5	3.4	172.1	-53.1	-73.7	0	0	0	112.5	V68 R70 H89 I107 S109	V68-Y91 HydrophobicContact CB-CD1 3.75Å; V68-Y91 HydrophobicContact CB-CE1 3.68Å; V68-Y91 HydrophobicContact CG2-CD1 4.39Å; V68-Y91 HydrophobicContact CG2-CE1 3.85Å; R70-Y91 VanDerWaalsContact NH2-CE1 3.27Å; R70-Y91 PolarHBondContact NH2-OH 2.84Å; H89-Y91 HydrophobicContact CB-CE2 3.85Å; Y91-I107 WeakPolarHBondContact CA-O 3.44Å; Y91-I107 WeakPolarHBondContact CB-O 3.15Å; Y91-I107 WeakPolarHBondContact CD2-O 3.25Å; Y91-I107 PolarHBondContact N-O 3.27Å; Y91-S109 VanDerWaalsContact O-CA 3.24Å; Y91-S109 WeakPolarHBondContact O-CA 3.23Å
92	A	87.5	Confident	90.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	13%	0.132	C	C	.	.			trans	-52.2	153.2	-170.6	0	0	0	0	0	114.6	M76 V95 I107	M76-A92 HydrophobicContact CE-CB 4.46Å; M76-A92 WeakPolarHBondContact CE-O 3.48Å; M76-A92 WeakPolarHBondContact CG-O 3.49Å; A92-V95 HydrophobicContact CB-CG2 3.92Å; A92-I107 HydrophobicContact CB-CG2 3.77Å
93	L	86.3	Confident	90.6	Very high	37 Å²	37	27.1 Å²	27.1	19%	0.194	15%	0.145	C	C	.	.	S	Bend	trans	-68.1	-43.6	171.7	-82.7	165.8	0	0	0	111.9	I71 S74 S109 V111 K112	I71-L93 HydrophobicContact CD1-CD2 3.41Å; I71-L93 VanDerWaalsContact CD1-CD2 3.41Å; I71-L93 HydrophobicContact CD1-CG 3.9Å; I71-L93 HydrophobicContact CG2-CD2 4.45Å; S74-L93 WeakPolarHBondContact OG-CD2 3.47Å; L93-S109 WeakPolarHBondContact CG-O 3.42Å; L93-V111 PolarHBondContact N-O 2.82Å; L93-K112 HydrophobicContact CB-CG 4.01Å; L93-K112 HydrophobicContact CD1-CG 4.27Å
94	E	90.9	Very high	90.6	Very high	78 Å²	78	32.1 Å²	32.1	36%	0.364	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	135.7	-170.9	-173.7	165.1	-156.2	0	0	108.6	K77 K112 I113	K77-E94 CarbonylContact O-C 3.51Å; K77-E94 WeakPolarHBondContact O-CA 3.33Å; E94-K112 HydrophobicContact CB-CG 4.36Å; E94-K112 IonicContact OE2-NZ 3.98Å; E94-I113 PolarHBondContact O-N 3.04Å
95	V	93.4	Very high	90.4	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.5	174.5	178.7	0	0	0	0	106.6	K77 I78 G79 A92 N99 F101 I113	K77-V95 PolarHBondContact O-N 3.21Å; I78-V95 CarbonylContact C-O 3.55Å; I78-V95 WeakPolarHBondContact CA-O 3.23Å; I78-V95 HydrophobicContact CB-CB 4.44Å; I78-V95 HydrophobicContact CG1-CB 4.13Å; I78-V95 HydrophobicContact CG1-CG2 4.27Å; I78-V95 HydrophobicContact CG2-CB 4.47Å; I78-V95 HydrophobicContact CG2-CG1 4.45Å; G79-V95 PolarHBondContact N-O 2.89Å; A92-V95 HydrophobicContact CB-CG2 3.92Å; V95-N99 HydrophobicContact CG1-CB 4.43Å; V95-F101 HydrophobicContact CG1-CE2 3.82Å; V95-F101 HydrophobicContact CG1-CZ 3.77Å; V95-F101 HydrophobicContact CG2-CZ 4.23Å; V95-I113 CarbonylContact C-O 3.52Å; V95-I113 WeakPolarHBondContact CA-O 3.26Å; V95-I113 HydrophobicContact CG2-CB 4.45Å; V95-I113 HydrophobicContact CG2-CD1 4.48Å
96	G	91.8	Very high	90.4	Very high	9 Å²	9	33.1 Å²	33.1	9%	0.093	17%	0.171	C	C	.	.			trans	-76.3	-143.9	177.3	0	0	0	0	0	112.3	G79 N82 N99 I113 T114	G79-G96 VanDerWaalsContact CA-O 3.31Å; G79-G96 WeakPolarHBondContact CA-O 3.22Å; G79-G96 PolarHBondContact N-O 3.31Å; N82-G96 PolarHBondContact ND2-O 3.47Å; N82-G96 PolarHBondContact OD1-O 2.87Å; G96-N99 PolarHBondContact O-ND2 3.16Å; G96-I113 PolarHBondContact N-O 2.92Å; G96-T114 WeakPolarHBondContact CA-O 3.44Å; G96-T114 PolarHBondContact N-O 3.03Å; G96-T114 VanDerWaalsContact N-O 3.16Å
97	D	90.5	Very high	90.3	Very high	52 Å²	52	30.4 Å²	30.4	28%	0.278	15%	0.154	S	C	.	.	S	Bend	trans	-110.5	152.1	-171.4	-46.7	-53.3	0	0	0	112	G79 D80 N99 H115 G116	G79-D97 WeakPolarHBondContact CA-OD1 3.14Å; D80-D97 PolarHBondContact N-OD1 2.94Å; D80-D97 CarbonylContact O-C 3.56Å; D80-D97 WeakPolarHBondContact O-CA 3.47Å; D80-D97 WeakPolarHBondContact O-CB 3.42Å; D97-N99 VanDerWaalsContact C-N 3.29Å; D97-N99 PolarHBondContact O-N 3.15Å; D97-H115 PolarHBondContact N-ND1 3.42Å; D97-H115 CarbonylContact O-C 3.56Å; D97-H115 WeakPolarHBondContact O-CA 3.21Å; D97-H115 IonicContact OD2-CE1 3.13Å; D97-H115 PolarHBondContact OD2-CE1 3.1Å; D97-H115 IonicContact OD2-ND1 2.68Å; D97-H115 PolarHBondContact OD2-ND1 2.9Å; D97-G116 PolarHBondContact O-N 2.81Å
98	N	87.2	Confident	90.2	Very high	76 Å²	76	31 Å²	31	41%	0.406	16%	0.16	S	C	.	.	S	Bend	trans	57.9	35.3	177.5	-57.1	-74.4	0	0	0	114.1	D80 Y81 G116	D80-N98 PolarHBondContact O-N 2.86Å; Y81-N98 VanDerWaalsContact CB-OD1 3.25Å; Y81-N98 WeakPolarHBondContact CB-OD1 3.49Å; Y81-N98 WeakPolarHBondContact O-CA 3.47Å; N98-G116 WeakPolarHBondContact O-CA 3.26Å
99	N	89.6	Confident	89.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-91.5	149	174.7	-55.4	-69.5	0	0	0	111.9	N82 V83 V95 G96 D97 F101 I113 T114 G116 C117	N82-N99 CarbonylContact C-O 3.58Å; N82-N99 VanDerWaalsContact CA-O 3.25Å; N82-N99 WeakPolarHBondContact CA-O 3.38Å; N82-N99 WeakPolarHBondContact OD1-CA 3.14Å; N82-N99 WeakPolarHBondContact OD1-CB 3.46Å; N82-N99 PolarHBondContact OD1-N 3.48Å; N82-N99 PolarHBondContact OD1-ND2 2.79Å; V83-N99 PolarHBondContact N-O 2.81Å; V95-N99 HydrophobicContact CG1-CB 4.43Å; G96-N99 PolarHBondContact O-ND2 3.16Å; D97-N99 VanDerWaalsContact C-N 3.29Å; D97-N99 PolarHBondContact O-N 3.15Å; N99-F101 HydrophobicContact CB-CE2 3.9Å; N99-F101 HydrophobicContact CB-CZ 4.16Å; N99-I113 HydrophobicContact CB-CG2 4.35Å; N99-T114 PolarHBondContact ND2-O 3.11Å; N99-T114 PolarHBondContact OD1-O 3.49Å; N99-G116 PolarHBondContact OD1-N 3.05Å; N99-C117 CarbonylContact C-O 3.58Å; N99-C117 WeakPolarHBondContact CA-O 3.23Å; N99-C117 WeakPolarHBondContact OD1-CA 3.44Å; N99-C117 WeakPolarHBondContact OD1-CB 3.44Å; N99-C117 PolarHBondContact OD1-N 3.23Å
100	V	88.2	Confident	89.3	Confident	8 Å²	8	35 Å²	35	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.8	178.6	-173.6	0	0	0	0	109	C117 V118 I119 Q154	V100-C117 PolarHBondContact N-O 2.97Å; V100-V118 HydrophobicContact CB-CG1 4.24Å; V100-V118 HydrophobicContact CB-CG2 4.3Å; V100-V118 HydrophobicContact CG2-CG2 4.46Å; V100-V118 CarbonylContact O-C 3.51Å; V100-V118 WeakPolarHBondContact O-CA 3.27Å; V100-I119 PolarHBondContact O-N 3.33Å; V100-Q154 VanDerWaalsContact CG1-NE2 3.3Å; V100-Q154 VanDerWaalsContact CG2-CD 3.45Å; V100-Q154 HydrophobicContact CG2-CG 4.41Å; V100-Q154 VanDerWaalsContact CG2-NE2 3.28Å
101	F	91.5	Very high	89	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	102.7	176.4	-61.3	-77.8	0	0	0	108.2	V83 F84 E85 A88 V95 N99 I107 I113 I119	V83-F101 WeakPolarHBondContact O-CB 3.36Å; V83-F101 WeakPolarHBondContact O-CD2 3.33Å; V83-F101 PolarHBondContact O-N 2.8Å; F84-F101 HydrophobicContact CD1-CB 3.87Å; F84-F101 AromaticContact CD1-CD2 3.31Å; F84-F101 HydrophobicContact CD1-CD2 3.31Å; F84-F101 AromaticContact CD1-CE2 3.97Å; F84-F101 HydrophobicContact CD1-CE2 3.97Å; F84-F101 AromaticContact CD1-CG 3.67Å; F84-F101 HydrophobicContact CD1-CG 3.67Å; F84-F101 HydrophobicContact CD2-CD2 4.34Å; F84-F101 HydrophobicContact CE1-CB 4.46Å; F84-F101 HydrophobicContact CE1-CD1 4.42Å; F84-F101 AromaticContact CE1-CD2 3.16Å; F84-F101 HydrophobicContact CE1-CD2 3.16Å; F84-F101 HydrophobicContact CE1-CE1 4.5Å; F84-F101 AromaticContact CE1-CE2 3.29Å; F84-F101 HydrophobicContact CE1-CE2 3.29Å; F84-F101 AromaticContact CE1-CG 3.77Å; F84-F101 HydrophobicContact CE1-CG 3.77Å; F84-F101 AromaticContact CE1-CZ 3.98Å; F84-F101 HydrophobicContact CE1-CZ 3.98Å; F84-F101 HydrophobicContact CE2-CD2 4.23Å; F84-F101 HydrophobicContact CE2-CE2 4.27Å; F84-F101 HydrophobicContact CG-CB 4.45Å; F84-F101 AromaticContact CG-CD2 3.92Å; F84-F101 HydrophobicContact CG-CD2 3.92Å; F84-F101 HydrophobicContact CG-CG 4.48Å; F84-F101 AromaticContact CZ-CD2 3.67Å; F84-F101 HydrophobicContact CZ-CD2 3.67Å; F84-F101 AromaticContact CZ-CE2 3.48Å; F84-F101 HydrophobicContact CZ-CE2 3.48Å; F84-F101 VanDerWaalsContact CZ-CE2 3.48Å; F84-F101 HydrophobicContact CZ-CZ 4.34Å; E85-F101 VanDerWaalsContact CB-O 3.29Å; E85-F101 WeakPolarHBondContact CB-O 3.42Å; E85-F101 WeakPolarHBondContact CG-O 3.35Å; E85-F101 PolarHBondContact N-O 2.77Å; A88-F101 HydrophobicContact CB-CB 4.33Å; V95-F101 HydrophobicContact CG1-CE2 3.82Å; V95-F101 HydrophobicContact CG1-CZ 3.77Å; V95-F101 HydrophobicContact CG2-CZ 4.23Å; N99-F101 HydrophobicContact CB-CE2 3.9Å; N99-F101 HydrophobicContact CB-CZ 4.16Å; F101-I107 HydrophobicContact CD1-CD1 3.33Å; F101-I107 HydrophobicContact CD1-CG1 4.3Å; F101-I107 HydrophobicContact CE1-CD1 3.14Å; F101-I107 HydrophobicContact CE1-CG1 4.1Å; F101-I107 HydrophobicContact CG-CD1 4.32Å; F101-I107 HydrophobicContact CZ-CD1 4.06Å; F101-I113 HydrophobicContact CE1-CD1 3.31Å; F101-I113 HydrophobicContact CZ-CD1 3.52Å; F101-I113 HydrophobicContact CZ-CG2 4.4Å; F101-I119 HydrophobicContact CD1-CB 3.93Å; F101-I119 HydrophobicContact CD1-CG1 3.49Å; F101-I119 VanDerWaalsContact CD1-CG1 3.49Å; F101-I119 HydrophobicContact CE1-CB 4.48Å; F101-I119 HydrophobicContact CE1-CG1 3.56Å
102	E	88.1	Confident	89	Confident	68 Å²	68	37 Å²	37	32%	0.318	20%	0.196	S	C	.	.			trans	-71.6	165.9	179.9	-65.2	-174.6	175.2	0	0	111.9	E85 K104 C105 I119 G120 A121	E85-E102 WeakPolarHBondContact OE2-CA 3.19Å; E102-K104 PolarHBondContact O-N 2.95Å; E102-C105 WeakPolarHBondContact O-CB 3.2Å; E102-C105 PolarHBondContact O-N 3.45Å; E102-I119 VanDerWaalsContact CB-O 3.26Å; E102-I119 WeakPolarHBondContact CB-O 3.38Å; E102-I119 WeakPolarHBondContact CG-O 3.46Å; E102-I119 PolarHBondContact N-O 3.4Å; E102-G120 VanDerWaalsContact OE2-CA 3.26Å; E102-G120 WeakPolarHBondContact OE2-CA 3.36Å; E102-A121 HydrophobicContact CB-CB 3.97Å; E102-A121 VanDerWaalsContact CB-N 3.33Å; E102-A121 PolarHBondContact OE2-N 2.68Å
103	A	88.6	Confident	89.1	Confident	31 Å²	31	37.1 Å²	37.1	26%	0.256	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	132.5	-173.6	0	0	0	0	0	113.8	E85 V86 C105 A121 M122	E85-A103 HydrophobicContact CB-CB 4.45Å; E85-A103 PolarHBondContact OE2-N 2.91Å; V86-A103 VanDerWaalsContact O-CA 3.29Å; V86-A103 WeakPolarHBondContact O-CA 3.26Å; V86-A103 WeakPolarHBondContact O-CB 3.33Å; A103-C105 PolarHBondContact O-N 2.82Å; A103-A121 CarbonylContact O-C 3.58Å; A103-A121 WeakPolarHBondContact O-CA 3.5Å; A103-A121 WeakPolarHBondContact O-CB 3.44Å; A103-M122 PolarHBondContact O-N 2.71Å
104	K	88.9	Confident	89.2	Confident	109 Å²	109	36.8 Å²	36.8	47%	0.474	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	21.2	176.1	-55	175.6	177.7	179.2	0	115.6	V86 G87 E102 H106 M122	V86-K104 PolarHBondContact O-N 2.79Å; G87-K104 WeakPolarHBondContact O-CA 3.16Å; E102-K104 PolarHBondContact O-N 2.95Å; K104-H106 PolarHBondContact O-CE1 2.67Å; K104-H106 VanDerWaalsContact O-CE1 3.29Å; K104-H106 PolarHBondContact O-ND1 2.96Å; K104-M122 HydrophobicContact CB-CE 4.47Å; K104-M122 HydrophobicContact CB-CG 4.31Å; K104-M122 HydrophobicContact CB-SD 3.54Å; K104-M122 VanDerWaalsContact CB-SD 3.54Å; K104-M122 HydrophobicContact CD-CE 3.34Å; K104-M122 HydrophobicContact CD-SD 3.54Å; K104-M122 VanDerWaalsContact CD-SD 3.54Å; K104-M122 HydrophobicContact CG-SD 4.21Å
105	C	89.8	Confident	89.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.			trans	-64.7	152.7	169.7	72.9	0	0	0	0	111.3	A88 H89 E102 A103 I119 C123	A88-C105 VanDerWaalsContact CB-SG 3.56Å; H89-C105 PolarHBondContact N-O 3.37Å; E102-C105 WeakPolarHBondContact O-CB 3.2Å; E102-C105 PolarHBondContact O-N 3.45Å; A103-C105 PolarHBondContact O-N 2.82Å; C105-I119 HydrophobicContact CB-CB 4.39Å; C105-I119 HydrophobicContact CB-CG2 3.62Å; C105-C123 CarbonylContact C-O 3.54Å; C105-C123 WeakPolarHBondContact CA-O 3.31Å
106	H	91	Very high	88.6	Confident	81 Å²	81	37 Å²	37	38%	0.375	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.3	176.8	-66	77.1	0	0	0	109.9	H89 K104 C123 S124 M125	H89-H106 AromaticContact CE1-NE2 3.53Å; H89-H106 AromaticContact CG-CD2 3.85Å; H89-H106 AromaticContact CG-NE2 3.99Å; H89-H106 AromaticContact ND1-CD2 3.4Å; H89-H106 PolarHBondContact ND1-CD2 3.07Å; H89-H106 AromaticContact ND1-CE1 3.7Å; H89-H106 AromaticContact ND1-NE2 3.13Å; H89-H106 PolarHBondContact ND1-NE2 3.02Å; H89-H106 VanDerWaalsContact ND1-NE2 3.13Å; K104-H106 PolarHBondContact O-CE1 2.67Å; K104-H106 VanDerWaalsContact O-CE1 3.29Å; K104-H106 PolarHBondContact O-ND1 2.96Å; H106-C123 PolarHBondContact N-O 3.45Å; H106-S124 CarbonylContact O-C 3.46Å; H106-S124 WeakPolarHBondContact O-CA 3.32Å; H106-M125 PolarHBondContact O-N 3.45Å
107	I	90.5	Very high	88.2	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.3	-179.8	-52	143.5	0	0	0	108.8	H89 C90 Y91 A92 F101 V111 I113 M125	H89-I107 PolarHBondContact O-N 2.86Å; C90-I107 HydrophobicContact CB-CD1 3.93Å; Y91-I107 WeakPolarHBondContact CA-O 3.44Å; Y91-I107 WeakPolarHBondContact CB-O 3.15Å; Y91-I107 WeakPolarHBondContact CD2-O 3.25Å; Y91-I107 PolarHBondContact N-O 3.27Å; A92-I107 HydrophobicContact CB-CG2 3.77Å; F101-I107 HydrophobicContact CD1-CD1 3.33Å; F101-I107 HydrophobicContact CD1-CG1 4.3Å; F101-I107 HydrophobicContact CE1-CD1 3.14Å; F101-I107 HydrophobicContact CE1-CG1 4.1Å; F101-I107 HydrophobicContact CG-CD1 4.32Å; F101-I107 HydrophobicContact CZ-CD1 4.06Å; I107-V111 HydrophobicContact CG2-CB 3.71Å; I107-V111 HydrophobicContact CG2-CG1 3.97Å; I107-V111 HydrophobicContact CG2-CG2 3.98Å; I107-I113 HydrophobicContact CD1-CD1 4.16Å; I107-I113 HydrophobicContact CG1-CD1 4.33Å; I107-I113 HydrophobicContact CG2-CD1 3.99Å; I107-M125 CarbonylContact C-O 3.5Å
108	G	88.7	Confident	88	Confident	17 Å²	17	34.9 Å²	34.9	18%	0.175	19%	0.186	C	C	.	.			trans	-73.7	166.3	-176.6	0	0	0	0	0	113.3	N110 V111 M125	G108-N110 PolarHBondContact O-N 2.77Å; G108-N110 VanDerWaalsContact O-N 3.13Å; G108-V111 PolarHBondContact O-N 2.81Å; G108-M125 WeakPolarHBondContact CA-O 3.37Å; G108-M125 PolarHBondContact N-O 2.94Å
109	S	84.6	Confident	88	Confident	42 Å²	42	31.3 Å²	31.3	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.8	-169.3	63.1	0	0	0	0	114.5	I71 Y91 L93	I71-S109 WeakPolarHBondContact CD1-O 3.12Å; Y91-S109 VanDerWaalsContact O-CA 3.24Å; Y91-S109 WeakPolarHBondContact O-CA 3.23Å; L93-S109 WeakPolarHBondContact CG-O 3.42Å
110	N	84.3	Confident	87.6	Confident	85 Å²	85	31.7 Å²	31.7	46%	0.455	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	4.8	-171.9	-61.1	-21.5	0	0	0	113.2	G108 G128	G108-N110 PolarHBondContact O-N 2.77Å; G108-N110 VanDerWaalsContact O-N 3.13Å; N110-G128 CarbonylContact O-C 3.49Å; N110-G128 WeakPolarHBondContact O-CA 3.3Å
111	V	87.1	Confident	87.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.			trans	-79.2	137.3	179.4	-176.8	0	0	0	0	109.1	L93 I107 G108 I113 M125 S127	L93-V111 PolarHBondContact N-O 2.82Å; I107-V111 HydrophobicContact CG2-CB 3.71Å; I107-V111 HydrophobicContact CG2-CG1 3.97Å; I107-V111 HydrophobicContact CG2-CG2 3.98Å; G108-V111 PolarHBondContact O-N 2.81Å; V111-I113 HydrophobicContact CG1-CD1 4.4Å; V111-I113 HydrophobicContact CG1-CG1 3.84Å; V111-M125 HydrophobicContact CG1-CE 4.17Å; V111-M125 HydrophobicContact CG2-CB 4.29Å; V111-M125 WeakPolarHBondContact CG2-O 3.33Å; V111-S127 WeakPolarHBondContact CG2-O 3.22Å
112	K	90	Very high	87.1	Confident	80 Å²	80	38.7 Å²	38.7	35%	0.348	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.6	165.2	-67.2	-172.5	178.2	-161.8	0	109.3	L93 E94 E129 T130 L131	L93-K112 HydrophobicContact CB-CG 4.01Å; L93-K112 HydrophobicContact CD1-CG 4.27Å; E94-K112 HydrophobicContact CB-CG 4.36Å; E94-K112 IonicContact OE2-NZ 3.98Å; K112-E129 PolarHBondContact N-O 2.9Å; K112-T130 HydrophobicContact CB-CG2 3.9Å; K112-T130 CarbonylContact O-C 3.55Å; K112-T130 WeakPolarHBondContact O-CA 3.38Å; K112-L131 PolarHBondContact O-N 2.78Å
113	I	89.8	Confident	86.9	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.2	-179.1	-53.8	-172.6	0	0	0	107.1	E94 V95 G96 N99 F101 I107 V111 C117 L131	E94-I113 PolarHBondContact O-N 3.04Å; V95-I113 CarbonylContact C-O 3.52Å; V95-I113 WeakPolarHBondContact CA-O 3.26Å; V95-I113 HydrophobicContact CG2-CB 4.45Å; V95-I113 HydrophobicContact CG2-CD1 4.48Å; G96-I113 PolarHBondContact N-O 2.92Å; N99-I113 HydrophobicContact CB-CG2 4.35Å; F101-I113 HydrophobicContact CE1-CD1 3.31Å; F101-I113 HydrophobicContact CZ-CD1 3.52Å; F101-I113 HydrophobicContact CZ-CG2 4.4Å; I107-I113 HydrophobicContact CD1-CD1 4.16Å; I107-I113 HydrophobicContact CG1-CD1 4.33Å; I107-I113 HydrophobicContact CG2-CD1 3.99Å; V111-I113 HydrophobicContact CG1-CD1 4.4Å; V111-I113 HydrophobicContact CG1-CG1 3.84Å; I113-C117 HydrophobicContact CG2-CB 3.8Å; I113-L131 HydrophobicContact CD1-CD1 4.47Å; I113-L131 HydrophobicContact CG1-CD1 4.12Å; I113-L131 HydrophobicContact CG2-CD1 4.35Å
114	T	89.5	Confident	86.7	Confident	30 Å²	30	36.4 Å²	36.4	18%	0.184	20%	0.202	C	C	.	.			trans	-79.7	-136.2	178.8	53.7	0	0	0	0	110.8	G96 N99 C117 T130 L131 P132 E133	G96-T114 WeakPolarHBondContact CA-O 3.44Å; G96-T114 PolarHBondContact N-O 3.03Å; G96-T114 VanDerWaalsContact N-O 3.16Å; N99-T114 PolarHBondContact ND2-O 3.11Å; N99-T114 PolarHBondContact OD1-O 3.49Å; T114-C117 PolarHBondContact OG1-SG 3.4Å; T114-T130 HydrophobicContact CG2-CG2 3.99Å; T114-L131 WeakPolarHBondContact CB-O 3.24Å; T114-L131 WeakPolarHBondContact CG2-O 3.48Å; T114-L131 PolarHBondContact OG1-O 3.4Å; T114-P132 PolarHBondContact OG1-O 3.13Å; T114-E133 HydrophobicContact CG2-CG 4.4Å; T114-E133 WeakPolarHBondContact OG1-CA 3.29Å; T114-E133 PolarHBondContact OG1-N 3.3Å
115	H	88.4	Confident	86.4	Confident	75 Å²	75	31.6 Å²	31.6	35%	0.347	18%	0.181	S	C	.	.	S	Bend	trans	-110.6	142.6	-176.2	-48.3	-89.6	0	0	0	111	D97 C117 E133 C134	D97-H115 PolarHBondContact N-ND1 3.42Å; D97-H115 CarbonylContact O-C 3.56Å; D97-H115 WeakPolarHBondContact O-CA 3.21Å; D97-H115 IonicContact OD2-CE1 3.13Å; D97-H115 PolarHBondContact OD2-CE1 3.1Å; D97-H115 IonicContact OD2-ND1 2.68Å; D97-H115 PolarHBondContact OD2-ND1 2.9Å; H115-C117 VanDerWaalsContact C-N 3.31Å; H115-C117 PolarHBondContact O-N 3.26Å; H115-E133 HydrophobicContact CB-CG 4.37Å; H115-E133 IonicContact CD2-OE1 2.71Å; H115-E133 WeakPolarHBondContact O-CA 3.28Å; H115-C134 PolarHBondContact O-N 2.78Å
116	G	81.7	Confident	85.9	Confident	9 Å²	9	38.1 Å²	38.1	9%	0.093	22%	0.217	C	C	.	.	S	Bend	trans	68.6	24.9	174.9	0	0	0	0	0	114.7	D97 N98 N99 C134 P151	D97-G116 PolarHBondContact O-N 2.81Å; N98-G116 WeakPolarHBondContact O-CA 3.26Å; N99-G116 PolarHBondContact OD1-N 3.05Å; G116-C134 WeakPolarHBondContact O-CA 3.42Å; G116-P151 WeakPolarHBondContact O-CD 3.21Å; G116-P151 WeakPolarHBondContact O-CG 3.22Å
117	C	84.9	Confident	84.9	Confident	1 Å²	1	36 Å²	36	1%	0.007	21%	0.21	C	C	.	.			trans	-84	147.9	176.5	-57.1	0	0	0	0	111	N99 V100 I113 T114 H115 L131 P132 T135	N99-C117 CarbonylContact C-O 3.58Å; N99-C117 WeakPolarHBondContact CA-O 3.23Å; N99-C117 WeakPolarHBondContact OD1-CA 3.44Å; N99-C117 WeakPolarHBondContact OD1-CB 3.44Å; N99-C117 PolarHBondContact OD1-N 3.23Å; V100-C117 PolarHBondContact N-O 2.97Å; I113-C117 HydrophobicContact CG2-CB 3.8Å; T114-C117 PolarHBondContact OG1-SG 3.4Å; H115-C117 VanDerWaalsContact C-N 3.31Å; H115-C117 PolarHBondContact O-N 3.26Å; C117-L131 HydrophobicContact CB-CD1 4.48Å; C117-P132 PolarHBondContact SG-O 3.16Å; C117-P132 VanDerWaalsContact SG-O 3.34Å; C117-T135 CarbonylContact C-O 3.54Å; C117-T135 WeakPolarHBondContact CA-O 3.43Å
118	V	85.3	Confident	84.2	Confident	17 Å²	17	38.5 Å²	38.5	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.3	171.8	-177	0	0	0	0	108.4	V100 T135 V136 V137 P151	V100-V118 HydrophobicContact CB-CG1 4.24Å; V100-V118 HydrophobicContact CB-CG2 4.3Å; V100-V118 HydrophobicContact CG2-CG2 4.46Å; V100-V118 CarbonylContact O-C 3.51Å; V100-V118 WeakPolarHBondContact O-CA 3.27Å; V118-T135 PolarHBondContact N-O 2.9Å; V118-V136 HydrophobicContact CB-CB 4.44Å; V118-V136 HydrophobicContact CB-CG1 4.32Å; V118-V136 HydrophobicContact CB-CG2 3.91Å; V118-V136 HydrophobicContact CG2-CG2 4.07Å; V118-V136 CarbonylContact O-C 3.57Å; V118-V136 WeakPolarHBondContact O-CA 3.27Å; V118-V137 PolarHBondContact O-N 3.24Å; V118-P151 HydrophobicContact CG2-CB 3.5Å; V118-P151 HydrophobicContact CG2-CG 3.73Å
119	I	87.1	Confident	83.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.2	173.8	-49.1	-52.4	0	0	0	107.4	V100 F101 E102 C105 C123 M125 L131 V137	V100-I119 PolarHBondContact O-N 3.33Å; F101-I119 HydrophobicContact CD1-CB 3.93Å; F101-I119 HydrophobicContact CD1-CG1 3.49Å; F101-I119 VanDerWaalsContact CD1-CG1 3.49Å; F101-I119 HydrophobicContact CE1-CB 4.48Å; F101-I119 HydrophobicContact CE1-CG1 3.56Å; E102-I119 VanDerWaalsContact CB-O 3.26Å; E102-I119 WeakPolarHBondContact CB-O 3.38Å; E102-I119 WeakPolarHBondContact CG-O 3.46Å; E102-I119 PolarHBondContact N-O 3.4Å; C105-I119 HydrophobicContact CB-CB 4.39Å; C105-I119 HydrophobicContact CB-CG2 3.62Å; I119-C123 HydrophobicContact CG2-CB 4.04Å; I119-M125 HydrophobicContact CD1-SD 3.73Å; I119-L131 HydrophobicContact CD1-CD1 3.61Å; I119-V137 HydrophobicContact CD1-CB 4.13Å; I119-V137 HydrophobicContact CD1-CG2 3.87Å
120	G	82.4	Confident	83.9	Confident	8 Å²	8	44.4 Å²	44.4	8%	0.082	26%	0.261	C	S	.	.			trans	-65.1	159.7	-178.5	0	0	0	0	0	113.3	E102 C123 V137	E102-G120 VanDerWaalsContact OE2-CA 3.26Å; E102-G120 WeakPolarHBondContact OE2-CA 3.36Å; G120-C123 VanDerWaalsContact C-SG 3.52Å; G120-C123 VanDerWaalsContact O-CB 3.22Å; G120-C123 WeakPolarHBondContact O-CB 3.29Å; G120-C123 PolarHBondContact O-N 2.69Å; G120-C123 VanDerWaalsContact O-N 3.13Å; G120-C123 PolarHBondContact O-SG 3.47Å; G120-V137 WeakPolarHBondContact CA-O 3.39Å; G120-V137 PolarHBondContact N-O 3.26Å
121	A	84.6	Confident	83.9	Confident	50 Å²	50	40.3 Å²	40.3	41%	0.413	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	140.6	-179.6	0	0	0	0	0	110.4	E102 A103 C123	E102-A121 HydrophobicContact CB-CB 3.97Å; E102-A121 VanDerWaalsContact CB-N 3.33Å; E102-A121 PolarHBondContact OE2-N 2.68Å; A103-A121 CarbonylContact O-C 3.58Å; A103-A121 WeakPolarHBondContact O-CA 3.5Å; A103-A121 WeakPolarHBondContact O-CB 3.44Å; A121-C123 PolarHBondContact O-N 2.84Å
122	M	83.9	Confident	83.6	Confident	105 Å²	105	43.7 Å²	43.7	52%	0.517	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	13.1	-176.3	-60.5	-76.8	-152.1	0	0	115.2	A103 K104	A103-M122 PolarHBondContact O-N 2.71Å; K104-M122 HydrophobicContact CB-CE 4.47Å; K104-M122 HydrophobicContact CB-CG 4.31Å; K104-M122 HydrophobicContact CB-SD 3.54Å; K104-M122 VanDerWaalsContact CB-SD 3.54Å; K104-M122 HydrophobicContact CD-CE 3.34Å; K104-M122 HydrophobicContact CD-SD 3.54Å; K104-M122 VanDerWaalsContact CD-SD 3.54Å; K104-M122 HydrophobicContact CG-SD 4.21Å
123	C	84.2	Confident	83.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	27%	0.269	C	S	.	.			trans	-74.7	136.1	175.8	-65.7	0	0	0	0	110.2	C105 H106 I119 G120 A121 V137 S139	C105-C123 CarbonylContact C-O 3.54Å; C105-C123 WeakPolarHBondContact CA-O 3.31Å; H106-C123 PolarHBondContact N-O 3.45Å; I119-C123 HydrophobicContact CG2-CB 4.04Å; G120-C123 VanDerWaalsContact C-SG 3.52Å; G120-C123 VanDerWaalsContact O-CB 3.22Å; G120-C123 WeakPolarHBondContact O-CB 3.29Å; G120-C123 PolarHBondContact O-N 2.69Å; G120-C123 VanDerWaalsContact O-N 3.13Å; G120-C123 PolarHBondContact O-SG 3.47Å; A121-C123 PolarHBondContact O-N 2.84Å; C123-V137 HydrophobicContact CB-CG1 4.39Å; C123-S139 PolarHBondContact SG-O 3.18Å
124	S	84.6	Confident	82.5	Confident	50 Å²	50	46.1 Å²	46.1	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.8	172	66.9	0	0	0	0	110.5	H106 D140	H106-S124 CarbonylContact O-C 3.46Å; H106-S124 WeakPolarHBondContact O-CA 3.32Å; S124-D140 PolarHBondContact OG-O 2.66Å
125	M	82.3	Confident	82	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.034	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	96.2	-177.2	-76.4	-158.6	75.1	0	0	109.2	H106 I107 G108 V111 I119 L131 V137	H106-M125 PolarHBondContact O-N 3.45Å; I107-M125 CarbonylContact C-O 3.5Å; G108-M125 WeakPolarHBondContact CA-O 3.37Å; G108-M125 PolarHBondContact N-O 2.94Å; V111-M125 HydrophobicContact CG1-CE 4.17Å; V111-M125 HydrophobicContact CG2-CB 4.29Å; V111-M125 WeakPolarHBondContact CG2-O 3.33Å; I119-M125 HydrophobicContact CD1-SD 3.73Å; M125-L131 HydrophobicContact CE-CD1 3.75Å; M125-L131 HydrophobicContact CE-CD2 3.46Å; M125-L131 VanDerWaalsContact CE-CD2 3.46Å; M125-L131 HydrophobicContact CE-CG 3.64Å; M125-L131 HydrophobicContact SD-CD1 3.78Å; M125-L131 HydrophobicContact SD-CD2 4.39Å; M125-L131 HydrophobicContact SD-CG 4.36Å; M125-V137 HydrophobicContact CE-CG2 4.28Å; M125-V137 HydrophobicContact CG-CG1 4.23Å; M125-V137 HydrophobicContact SD-CB 4.36Å; M125-V137 HydrophobicContact SD-CG1 4.21Å; M125-V137 HydrophobicContact SD-CG2 3.84Å
126	D	78.1	Confident	81.5	Confident	138 Å²	138	43.1 Å²	43.1	74%	0.738	26%	0.263	S	S	*	.			trans	-107.8	-13.5	176.9	63.7	-7.3	0	0	0	113	G128	D126-G128 PolarHBondContact O-N 3.39Å; D126-G128 VanDerWaalsContact O-N 3.12Å
127	S	70	Confident	81.5	Confident	35 Å²	35	42.7 Å²	42.7	25%	0.245	26%	0.258	C	S	.	.			trans	-57.3	117.1	177.5	63.5	0	0	0	0	109	V111 E129 R144	V111-S127 WeakPolarHBondContact CG2-O 3.22Å; S127-E129 PolarHBondContact O-N 3.34Å; S127-R144 PolarHBondContact OG-NH2 3.49Å
128	G	77.7	Confident	80.8	Confident	54 Å²	54	46.6 Å²	46.6	56%	0.557	27%	0.273	S	S	*	.			trans	-68.2	43.6	177.5	0	0	0	0	0	114	N110 D126	N110-G128 CarbonylContact O-C 3.49Å; N110-G128 WeakPolarHBondContact O-CA 3.3Å; D126-G128 PolarHBondContact O-N 3.39Å; D126-G128 VanDerWaalsContact O-N 3.12Å
129	E	80.8	Confident	79.8	Confident	101 Å²	101	47.9 Å²	47.9	47%	0.472	28%	0.283	S	S	.	.			trans	-106.8	156	-175.3	-64.1	-173.6	170.9	0	0	110.1	K112 S127 R144	K112-E129 PolarHBondContact N-O 2.9Å; S127-E129 PolarHBondContact O-N 3.34Å; E129-R144 IonicContact OE2-CZ 2.73Å; E129-R144 IonicContact OE2-NH1 3.73Å; E129-R144 PolarHBondContact OE2-NH1 2.79Å; E129-R144 IonicContact OE2-NH2 3.57Å; E129-R144 PolarHBondContact OE2-NH2 2.9Å
130	T	84.9	Confident	78.8	Confident	82 Å²	82	53.4 Å²	53.4	50%	0.503	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.6	170.6	-56.2	0	0	0	0	108.2	K112 T114	K112-T130 HydrophobicContact CB-CG2 3.9Å; K112-T130 CarbonylContact O-C 3.55Å; K112-T130 WeakPolarHBondContact O-CA 3.38Å; T114-T130 HydrophobicContact CG2-CG2 3.99Å
131	L	83.9	Confident	77.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.7	170.4	-77.7	180	0	0	0	109.2	K112 I113 T114 C117 I119 M125 T135 V137	K112-L131 PolarHBondContact O-N 2.78Å; I113-L131 HydrophobicContact CD1-CD1 4.47Å; I113-L131 HydrophobicContact CG1-CD1 4.12Å; I113-L131 HydrophobicContact CG2-CD1 4.35Å; T114-L131 WeakPolarHBondContact CB-O 3.24Å; T114-L131 WeakPolarHBondContact CG2-O 3.48Å; T114-L131 PolarHBondContact OG1-O 3.4Å; C117-L131 HydrophobicContact CB-CD1 4.48Å; I119-L131 HydrophobicContact CD1-CD1 3.61Å; M125-L131 HydrophobicContact CE-CD1 3.75Å; M125-L131 HydrophobicContact CE-CD2 3.46Å; M125-L131 VanDerWaalsContact CE-CD2 3.46Å; M125-L131 HydrophobicContact CE-CG 3.64Å; M125-L131 HydrophobicContact SD-CD1 3.78Å; M125-L131 HydrophobicContact SD-CD2 4.39Å; M125-L131 HydrophobicContact SD-CG 4.36Å; L131-T135 HydrophobicContact CD2-CG2 4.14Å; L131-V137 HydrophobicContact CD1-CG2 4.15Å; L131-V137 HydrophobicContact CD2-CG2 3.86Å
132	P	81.3	Confident	76.5	Confident	70 Å²	70	59.2 Å²	59.2	46%	0.455	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-70.5	157.2	171	16.5	-12.7	0	0	0	111.2	T114 C117 T135	T114-P132 PolarHBondContact OG1-O 3.13Å; C117-P132 PolarHBondContact SG-O 3.16Å; C117-P132 VanDerWaalsContact SG-O 3.34Å; P132-T135 WeakPolarHBondContact CD-OG1 3.49Å; P132-T135 VanDerWaalsContact CG-OG1 3.24Å; P132-T135 WeakPolarHBondContact CG-OG1 3.34Å; P132-T135 VanDerWaalsContact O-CB 3.26Å; P132-T135 WeakPolarHBondContact O-CB 3.35Å; P132-T135 PolarHBondContact O-N 2.85Å; P132-T135 PolarHBondContact O-OG1 2.8Å
133	E	82	Confident	75.3	Confident	110 Å²	110	58.6 Å²	58.6	51%	0.514	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	147.7	177.4	-68.3	179.2	-171.9	0	0	111.1	T114 H115 T135	T114-E133 HydrophobicContact CG2-CG 4.4Å; T114-E133 WeakPolarHBondContact OG1-CA 3.29Å; T114-E133 PolarHBondContact OG1-N 3.3Å; H115-E133 HydrophobicContact CB-CG 4.37Å; H115-E133 IonicContact CD2-OE1 2.71Å; H115-E133 WeakPolarHBondContact O-CA 3.28Å; E133-T135 PolarHBondContact O-N 2.79Å
134	C	76	Confident	74.5	Confident	24 Å²	24	62.9 Å²	62.9	16%	0.162	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	27.8	178.6	-48.8	0	0	0	0	113.9	H115 G116 A147 R150	H115-C134 PolarHBondContact O-N 2.78Å; G116-C134 WeakPolarHBondContact O-CA 3.42Å; C134-A147 VanDerWaalsContact O-CB 3.26Å; C134-A147 WeakPolarHBondContact O-CB 3.37Å; C134-A147 PolarHBondContact O-N 2.96Å; C134-A147 VanDerWaalsContact O-N 3.1Å; C134-R150 VanDerWaalsContact SG-CG 3.58Å
135	T	77.9	Confident	73.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130.4	175.6	-58.5	0	0	0	0	110.8	C117 V118 L131 P132 E133 V137 R144	C117-T135 CarbonylContact C-O 3.54Å; C117-T135 WeakPolarHBondContact CA-O 3.43Å; V118-T135 PolarHBondContact N-O 2.9Å; L131-T135 HydrophobicContact CD2-CG2 4.14Å; P132-T135 WeakPolarHBondContact CD-OG1 3.49Å; P132-T135 VanDerWaalsContact CG-OG1 3.24Å; P132-T135 WeakPolarHBondContact CG-OG1 3.34Å; P132-T135 VanDerWaalsContact O-CB 3.26Å; P132-T135 WeakPolarHBondContact O-CB 3.35Å; P132-T135 PolarHBondContact O-N 2.85Å; P132-T135 PolarHBondContact O-OG1 2.8Å; E133-T135 PolarHBondContact O-N 2.79Å; T135-V137 HydrophobicContact CG2-CG2 4.24Å; T135-R144 HydrophobicContact CG2-CB 4.21Å
136	V	78.2	Confident	72	Confident	41 Å²	41	74.7 Å²	74.7	25%	0.248	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.6	168.5	174.6	0	0	0	0	107.7	V118 R145 A147	V118-V136 HydrophobicContact CB-CB 4.44Å; V118-V136 HydrophobicContact CB-CG1 4.32Å; V118-V136 HydrophobicContact CB-CG2 3.91Å; V118-V136 HydrophobicContact CG2-CG2 4.07Å; V118-V136 CarbonylContact O-C 3.57Å; V118-V136 WeakPolarHBondContact O-CA 3.27Å; V136-R145 PolarHBondContact N-O 3.21Å; V136-R145 PolarHBondContact O-N 3.28Å; V136-A147 HydrophobicContact CB-CB 4.33Å; V136-A147 HydrophobicContact CG2-CB 3.5Å; V136-A147 VanDerWaalsContact CG2-CB 3.5Å
137	V	81.1	Confident	70.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.4	171.8	-175.7	0	0	0	0	107	V118 I119 G120 C123 M125 L131 T135 R144	V118-V137 PolarHBondContact O-N 3.24Å; I119-V137 HydrophobicContact CD1-CB 4.13Å; I119-V137 HydrophobicContact CD1-CG2 3.87Å; G120-V137 WeakPolarHBondContact CA-O 3.39Å; G120-V137 PolarHBondContact N-O 3.26Å; C123-V137 HydrophobicContact CB-CG1 4.39Å; M125-V137 HydrophobicContact CE-CG2 4.28Å; M125-V137 HydrophobicContact CG-CG1 4.23Å; M125-V137 HydrophobicContact SD-CB 4.36Å; M125-V137 HydrophobicContact SD-CG1 4.21Å; M125-V137 HydrophobicContact SD-CG2 3.84Å; L131-V137 HydrophobicContact CD1-CG2 4.15Å; L131-V137 HydrophobicContact CD2-CG2 3.86Å; T135-V137 HydrophobicContact CG2-CG2 4.24Å; V137-R144 HydrophobicContact CG2-CG 4.41Å
138	Y	71.2	Confident	69.7	Low	82 Å²	82	74.6 Å²	74.6	32%	0.322	40%	0.398	S	S	.	.			trans	-133.8	153.4	178.5	65.6	-76.8	0	0	0	107.9	H143 R145	Y138-H143 HydrophobicContact CE1-CB 4.48Å; Y138-H143 HydrophobicContact CE2-CB 4.36Å; Y138-H143 PolarHBondContact N-O 3.37Å; Y138-H143 PolarHBondContact O-N 3.48Å; Y138-R145 HydrophobicContact CD1-CB 4.02Å; Y138-R145 HydrophobicContact CD1-CG 4.27Å; Y138-R145 HydrophobicContact CE1-CB 3.39Å; Y138-R145 HydrophobicContact CE1-CG 3.24Å; Y138-R145 VanDerWaalsContact CZ-CD 3.41Å; Y138-R145 VanDerWaalsContact CZ-NE 3.34Å; Y138-R145 WeakPolarHBondContact OH-CD 3.33Å; Y138-R145 WeakPolarHBondContact OH-CG 3.44Å; Y138-R145 PolarHBondContact OH-NE 2.98Å
139	S	64.2	Low	68.3	Low	45 Å²	45	79.7 Å²	79.7	32%	0.315	41%	0.407	S	S	.	.	S	Bend	trans	77.3	148.1	-173.5	88.4	0	0	0	0	115.2	C123 E141 G142 H143	C123-S139 PolarHBondContact SG-O 3.18Å; S139-E141 PolarHBondContact O-N 3.49Å; S139-E141 PolarHBondContact OG-N 3.24Å; S139-G142 PolarHBondContact O-N 3.14Å; S139-H143 WeakPolarHBondContact OG-CB 3.22Å; S139-H143 PolarHBondContact OG-CD2 2.73Å; S139-H143 VanDerWaalsContact OG-CD2 3.23Å; S139-H143 PolarHBondContact OG-N 3.29Å
140	D	65.3	Low	67	Low	116 Å²	116	84.1 Å²	84.1	62%	0.62	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.9	173.3	-168.1	21.5	0	0	0	112.9	S124 G142	S124-D140 PolarHBondContact OG-O 2.66Å; D140-G142 PolarHBondContact O-N 3.11Å; D140-G142 VanDerWaalsContact O-N 3.13Å
141	E	61.5	Low	65.6	Low	159 Å²	159	81.9 Å²	81.9	74%	0.743	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	5.7	179.1	-61.7	-173.8	176.3	0	0	113.3	S139 H143	S139-E141 PolarHBondContact O-N 3.49Å; S139-E141 PolarHBondContact OG-N 3.24Å; E141-H143 PolarHBondContact O-N 2.98Å; E141-H143 IonicContact OE2-CD2 3.45Å; E141-H143 IonicContact OE2-CE1 2.94Å; E141-H143 IonicContact OE2-NE2 3.48Å; E141-H143 PolarHBondContact OE2-NE2 3.09Å
142	G	57.3	Low	64.2	Low	22 Å²	22	86 Å²	86	23%	0.227	44%	0.441	C	S	.	.			trans	67.9	21.6	179.9	0	0	0	0	0	113.6	S139 D140 R144	S139-G142 PolarHBondContact O-N 3.14Å; D140-G142 PolarHBondContact O-N 3.11Å; D140-G142 VanDerWaalsContact O-N 3.13Å; G142-R144 WeakPolarHBondContact O-CG 3.44Å; G142-R144 PolarHBondContact O-N 2.85Å
143	H	59.9	Low	62.8	Low	91 Å²	91	86 Å²	86	42%	0.421	45%	0.446	S	S	.	.			trans	-56.8	128.2	174.9	-73.2	-65	0	0	0	110.7	Y138 S139 E141	Y138-H143 HydrophobicContact CE1-CB 4.48Å; Y138-H143 HydrophobicContact CE2-CB 4.36Å; Y138-H143 PolarHBondContact N-O 3.37Å; Y138-H143 PolarHBondContact O-N 3.48Å; S139-H143 WeakPolarHBondContact OG-CB 3.22Å; S139-H143 PolarHBondContact OG-CD2 2.73Å; S139-H143 VanDerWaalsContact OG-CD2 3.23Å; S139-H143 PolarHBondContact OG-N 3.29Å; E141-H143 PolarHBondContact O-N 2.98Å; E141-H143 IonicContact OE2-CD2 3.45Å; E141-H143 IonicContact OE2-CE1 2.94Å; E141-H143 IonicContact OE2-NE2 3.48Å; E141-H143 PolarHBondContact OE2-NE2 3.09Å
144	R	65.6	Low	61.5	Low	92 Å²	92	82.5 Å²	82.5	35%	0.347	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.8	-178	-55	-174.4	-173.6	160.2	3.6	109.2	S127 E129 T135 V137 G142	S127-R144 PolarHBondContact OG-NH2 3.49Å; E129-R144 IonicContact OE2-CZ 2.73Å; E129-R144 IonicContact OE2-NH1 3.73Å; E129-R144 PolarHBondContact OE2-NH1 2.79Å; E129-R144 IonicContact OE2-NH2 3.57Å; E129-R144 PolarHBondContact OE2-NH2 2.9Å; T135-R144 HydrophobicContact CG2-CB 4.21Å; V137-R144 HydrophobicContact CG2-CG 4.41Å; G142-R144 WeakPolarHBondContact O-CG 3.44Å; G142-R144 PolarHBondContact O-N 2.85Å
145	R	57.5	Low	60.6	Low	163 Å²	163	84.4 Å²	84.4	62%	0.615	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.8	161.5	-93	169.1	-170.1	-169.6	0.5	107.2	V136 Y138 A147	V136-R145 PolarHBondContact N-O 3.21Å; V136-R145 PolarHBondContact O-N 3.28Å; Y138-R145 HydrophobicContact CD1-CB 4.02Å; Y138-R145 HydrophobicContact CD1-CG 4.27Å; Y138-R145 HydrophobicContact CE1-CB 3.39Å; Y138-R145 HydrophobicContact CE1-CG 3.24Å; Y138-R145 VanDerWaalsContact CZ-CD 3.41Å; Y138-R145 VanDerWaalsContact CZ-NE 3.34Å; Y138-R145 WeakPolarHBondContact OH-CD 3.33Å; Y138-R145 WeakPolarHBondContact OH-CG 3.44Å; Y138-R145 PolarHBondContact OH-NE 2.98Å; R145-A147 PolarHBondContact O-N 2.87Å; R145-A147 VanDerWaalsContact O-N 3.16Å
146	I	58.2	Low	59.5	Low	141 Å²	141	91.2 Å²	91.2	72%	0.723	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	115.7	160.4	-59.4	173.4	0	0	0	104.8	T148	I146-T148 PolarHBondContact O-N 2.84Å
147	A	51.7	Low	58.4	Low	22 Å²	22	94.3 Å²	94.3	18%	0.182	49%	0.488	C	S	.	.			trans	-68.4	125.2	177.3	0	0	0	0	0	107.6	C134 V136 R145 E149	C134-A147 VanDerWaalsContact O-CB 3.26Å; C134-A147 WeakPolarHBondContact O-CB 3.37Å; C134-A147 PolarHBondContact O-N 2.96Å; C134-A147 VanDerWaalsContact O-N 3.1Å; V136-A147 HydrophobicContact CB-CB 4.33Å; V136-A147 HydrophobicContact CG2-CB 3.5Å; V136-A147 VanDerWaalsContact CG2-CB 3.5Å; R145-A147 PolarHBondContact O-N 2.87Å; R145-A147 VanDerWaalsContact O-N 3.16Å; A147-E149 WeakPolarHBondContact CB-O 3.21Å; A147-E149 PolarHBondContact O-N 2.86Å
148	T	46.9	Very low	57.4	Low	150 Å²	150	94.9 Å²	94.9	92%	0.92	49%	0.491	S	S	*	.	S	Bend	trans	-65.3	-17.7	170.7	30.5	0	0	0	0	112	I146	I146-T148 PolarHBondContact O-N 2.84Å
149	E	49.6	Very low	56.8	Low	161 Å²	161	94.9 Å²	94.9	75%	0.752	50%	0.497	S	S	*	.	S	Bend	trans	-128	138	177.3	-64.8	-170.5	157.6	0	0	110.1	A147	A147-E149 WeakPolarHBondContact CB-O 3.21Å; A147-E149 PolarHBondContact O-N 2.86Å
150	R	53.8	Low	56.5	Low	194 Å²	194	98.9 Å²	98.9	73%	0.732	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-58.8	141.5	170.2	-77.7	179	178.5	163.9	-0.8	108.9	C134 A152	C134-R150 VanDerWaalsContact SG-CG 3.58Å; R150-A152 PolarHBondContact O-N 3.26Å
151	P	54.3	Low	56	Low	34 Å²	34	95.2 Å²	95.2	22%	0.221	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-51	133.5	169.1	18.2	-27.4	0	0	0	109.2	G116 V118 A153	G116-P151 WeakPolarHBondContact O-CD 3.21Å; G116-P151 WeakPolarHBondContact O-CG 3.22Å; V118-P151 HydrophobicContact CG2-CB 3.5Å; V118-P151 HydrophobicContact CG2-CG 3.73Å; P151-A153 PolarHBondContact O-N 3.05Å
152	A	53.8	Low	55.8	Low	88 Å²	88	90.5 Å²	90.5	73%	0.727	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-53.9	128.8	177.4	0	0	0	0	0	108.2	R150 Q154	R150-A152 PolarHBondContact O-N 3.26Å; A152-Q154 PolarHBondContact O-N 2.98Å
153	A	52.9	Low	55.9	Low	68 Å²	68	96.4 Å²	96.4	56%	0.562	49%	0.49	S	S	*	.			trans	-54.8	115.9	178.5	0	0	0	0	0	108.8	P151 T155	P151-A153 PolarHBondContact O-N 3.05Å; A153-T155 PolarHBondContact O-N 3.14Å
154	Q	54.7	Low	55.7	Low	38 Å²	38	94.7 Å²	94.7	18%	0.178	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	16.2	-178.5	-67.7	178.1	-27.2	0	0	112.3	V100 A152 L156 Q157 L158	V100-Q154 VanDerWaalsContact CG1-NE2 3.3Å; V100-Q154 VanDerWaalsContact CG2-CD 3.45Å; V100-Q154 HydrophobicContact CG2-CG 4.41Å; V100-Q154 VanDerWaalsContact CG2-NE2 3.28Å; A152-Q154 PolarHBondContact O-N 2.98Å; Q154-L156 PolarHBondContact O-N 3.16Å; Q154-L156 VanDerWaalsContact O-N 3.09Å; Q154-Q157 HydrophobicContact CB-CB 4.36Å; Q154-Q157 VanDerWaalsContact CG-OE1 3.27Å; Q154-Q157 WeakPolarHBondContact O-CA 3.42Å; Q154-Q157 WeakPolarHBondContact O-CB 3.46Å; Q154-Q157 PolarHBondContact O-N 3.24Å; Q154-L158 PolarHBondContact O-N 3.24Å
155	T	56.7	Low	55.1	Low	64 Å²	64	91.2 Å²	91.2	39%	0.393	47%	0.472	S	S	.	.	H	α-helix	trans	-50	-37.8	176.6	-43.1	0	0	0	0	111.7	A153 L158 D159	A153-T155 PolarHBondContact O-N 3.14Å; T155-L158 PolarHBondContact O-N 3.19Å; T155-D159 VanDerWaalsContact O-CB 3.27Å; T155-D159 WeakPolarHBondContact O-CB 3.26Å; T155-D159 PolarHBondContact O-N 3.19Å
156	L	56.1	Low	54.9	Low	144 Å²	144	86.7 Å²	86.7	75%	0.754	46%	0.464	S	S	*	.	H	α-helix	trans	-68	-37.6	176	-70.7	174.1	0	0	0	113.2	Q154 F160	Q154-L156 PolarHBondContact O-N 3.16Å; Q154-L156 VanDerWaalsContact O-N 3.09Å; L156-F160 WeakPolarHBondContact O-CB 3.35Å; L156-F160 PolarHBondContact O-N 3.1Å
157	Q	54.6	Low	54.7	Low	106 Å²	106	86.1 Å²	86.1	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-70.5	-42.6	175.3	-71.9	176	-24.8	0	0	110.8	Q154 F160 L161	Q154-Q157 HydrophobicContact CB-CB 4.36Å; Q154-Q157 VanDerWaalsContact CG-OE1 3.27Å; Q154-Q157 WeakPolarHBondContact O-CA 3.42Å; Q154-Q157 WeakPolarHBondContact O-CB 3.46Å; Q154-Q157 PolarHBondContact O-N 3.24Å; Q157-F160 PolarHBondContact O-N 2.92Å; Q157-L161 WeakPolarHBondContact O-CB 3.37Å; Q157-L161 WeakPolarHBondContact O-CG 3.39Å; Q157-L161 PolarHBondContact O-N 2.87Å
158	L	58.9	Low	54.4	Low	12 Å²	12	94.1 Å²	94.1	6%	0.063	49%	0.489	C	S	.	.	H	α-helix	trans	-61.9	-44.4	174.9	-71.3	171.2	0	0	0	111.6	L60 Y81 V83 Q154 T155 F160 L161 T162	L60-L158 HydrophobicContact CB-CD2 3.85Å; Y81-L158 HydrophobicContact CD1-CD1 3.76Å; V83-L158 HydrophobicContact CG2-CD2 4.3Å; Q154-L158 PolarHBondContact O-N 3.24Å; T155-L158 PolarHBondContact O-N 3.19Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-F160 PolarHBondContact O-N 3.36Å; L158-L161 PolarHBondContact O-N 2.89Å; L158-T162 VanDerWaalsContact O-CB 3.23Å; L158-T162 WeakPolarHBondContact O-CB 3.39Å; L158-T162 PolarHBondContact O-N 2.81Å; L158-T162 PolarHBondContact O-OG1 2.91Å
159	D	58.7	Low	54.3	Low	82 Å²	82	91.4 Å²	91.4	44%	0.439	47%	0.466	S	S	.	.	H	α-helix	trans	-63.6	-39.1	175.5	-84.8	-8.5	0	0	0	111.9	T155 K163	T155-D159 VanDerWaalsContact O-CB 3.27Å; T155-D159 WeakPolarHBondContact O-CB 3.26Å; T155-D159 PolarHBondContact O-N 3.19Å; D159-K163 WeakPolarHBondContact O-CB 3.49Å; D159-K163 WeakPolarHBondContact O-CD 3.26Å; D159-K163 WeakPolarHBondContact O-CG 3.26Å; D159-K163 PolarHBondContact O-N 2.92Å
160	F	58.2	Low	54.3	Low	129 Å²	129	92.6 Å²	92.6	57%	0.566	47%	0.471	S	S	*	.	H	α-helix	trans	-66.6	-47.7	177.4	-175.8	-105.1	0	0	0	111.5	L156 Q157 L158 K163 I164	L156-F160 WeakPolarHBondContact O-CB 3.35Å; L156-F160 PolarHBondContact O-N 3.1Å; Q157-F160 PolarHBondContact O-N 2.92Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-F160 PolarHBondContact O-N 3.36Å; F160-K163 PolarHBondContact O-N 3.29Å; F160-I164 HydrophobicContact CD1-CD1 3.71Å; F160-I164 HydrophobicContact CD2-CD1 3.75Å; F160-I164 HydrophobicContact CE1-CD1 3.28Å; F160-I164 HydrophobicContact CE2-CD1 3.32Å; F160-I164 HydrophobicContact CG-CD1 3.95Å; F160-I164 HydrophobicContact CZ-CD1 3.07Å; F160-I164 WeakPolarHBondContact O-CG1 3.46Å; F160-I164 PolarHBondContact O-N 3.06Å
161	L	54.2	Low	54.1	Low	40 Å²	40	86 Å²	86	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-67.9	-41.6	179.7	-72.6	169.2	0	0	0	111.9	L60 Q157 L158 K163 I164 L165	L60-L161 HydrophobicContact CD1-CD1 4.28Å; L60-L161 HydrophobicContact CD2-CD1 3.24Å; L60-L161 HydrophobicContact CG-CD1 4.4Å; Q157-L161 WeakPolarHBondContact O-CB 3.37Å; Q157-L161 WeakPolarHBondContact O-CG 3.39Å; Q157-L161 PolarHBondContact O-N 2.87Å; L158-L161 PolarHBondContact O-N 2.89Å; L161-K163 PolarHBondContact O-N 2.75Å; L161-I164 PolarHBondContact O-N 3.13Å; L161-I164 VanDerWaalsContact O-N 3.14Å; L161-L165 HydrophobicContact CB-CD1 4.02Å; L161-L165 VanDerWaalsContact O-CB 3.27Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 WeakPolarHBondContact O-CD1 3.41Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 2.83Å
162	T	58.6	Low	53.6	Low	59 Å²	59	89.5 Å²	89.5	36%	0.362	47%	0.465	S	S	.	.	H	α-helix	trans	-57.9	-32.8	174.3	-57.5	0	0	0	0	111.7	L158 P166	L158-T162 VanDerWaalsContact O-CB 3.23Å; L158-T162 WeakPolarHBondContact O-CB 3.39Å; L158-T162 PolarHBondContact O-N 2.81Å; L158-T162 PolarHBondContact O-OG1 2.91Å; T162-P166 WeakPolarHBondContact O-CD 3.15Å; T162-P166 VanDerWaalsContact O-CG 3.3Å; T162-P166 WeakPolarHBondContact O-CG 3.2Å
163	K	58.6	Low	53.1	Low	146 Å²	146	95 Å²	95	64%	0.635	47%	0.472	S	S	*	.	H	α-helix	trans	-80.7	-30.8	177.8	-74.4	171.3	-175	168.3	0	113.9	D159 F160 L161 N167	D159-K163 WeakPolarHBondContact O-CB 3.49Å; D159-K163 WeakPolarHBondContact O-CD 3.26Å; D159-K163 WeakPolarHBondContact O-CG 3.26Å; D159-K163 PolarHBondContact O-N 2.92Å; F160-K163 PolarHBondContact O-N 3.29Å; L161-K163 PolarHBondContact O-N 2.75Å; K163-N167 PolarHBondContact O-ND2 3.01Å
164	I	56.1	Low	52.7	Low	56 Å²	56	95.7 Å²	95.7	29%	0.287	47%	0.469	S	S	.	.	H	α-helix	trans	-95.9	-35.7	-172.7	-69.2	173.6	0	0	0	112.6	F160 L161 P166 N167 Y168	F160-I164 HydrophobicContact CD1-CD1 3.71Å; F160-I164 HydrophobicContact CD2-CD1 3.75Å; F160-I164 HydrophobicContact CE1-CD1 3.28Å; F160-I164 HydrophobicContact CE2-CD1 3.32Å; F160-I164 HydrophobicContact CG-CD1 3.95Å; F160-I164 HydrophobicContact CZ-CD1 3.07Å; F160-I164 WeakPolarHBondContact O-CG1 3.46Å; F160-I164 PolarHBondContact O-N 3.06Å; L161-I164 PolarHBondContact O-N 3.13Å; L161-I164 VanDerWaalsContact O-N 3.14Å; I164-P166 VanDerWaalsContact C-CD 3.43Å; I164-P166 VanDerWaalsContact C-N 3.34Å; I164-N167 WeakPolarHBondContact O-CA 3.36Å; I164-N167 WeakPolarHBondContact O-CB 3.14Å; I164-N167 PolarHBondContact O-N 3.23Å; I164-Y168 HydrophobicContact CG2-CD2 3.96Å; I164-Y168 PolarHBondContact O-N 3.34Å
165	L	53.5	Low	51.8	Low	18 Å²	18	98.9 Å²	98.9	9%	0.094	50%	0.495	C	S	.	.	H	α-helix	trans	-58.2	-36.9	-178.5	-72.9	167.2	0	0	0	114.1	I39 L161 N167 Y168 H169	I39-L165 HydrophobicContact CD1-CD1 3.66Å; I39-L165 HydrophobicContact CG2-CD1 3.44Å; I39-L165 VanDerWaalsContact CG2-CD1 3.44Å; L161-L165 HydrophobicContact CB-CD1 4.02Å; L161-L165 VanDerWaalsContact O-CB 3.27Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 WeakPolarHBondContact O-CD1 3.41Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.22Å; L161-L165 PolarHBondContact O-N 2.83Å; L165-N167 PolarHBondContact O-N 3.45Å; L165-N167 VanDerWaalsContact O-N 3.16Å; L165-Y168 PolarHBondContact O-N 3.3Å; L165-H169 PolarHBondContact O-N 3.43Å
166	P	53.5	Low	50.9	Low	69 Å²	69	106.8 Å²	106.8	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-20.2	172	-22	33	0	0	0	114.8	T162 I164 L171	T162-P166 WeakPolarHBondContact O-CD 3.15Å; T162-P166 VanDerWaalsContact O-CG 3.3Å; T162-P166 WeakPolarHBondContact O-CG 3.2Å; I164-P166 VanDerWaalsContact C-CD 3.43Å; I164-P166 VanDerWaalsContact C-N 3.34Å; P166-L171 HydrophobicContact CB-CD1 3.93Å; P166-L171 HydrophobicContact CG-CD1 4.05Å
167	N	54.2	Low	49.7	Very low	128 Å²	128	106.7 Å²	106.7	68%	0.684	52%	0.524	S	S	*	.	H	α-helix	trans	-94.9	-22	-176.6	-66.1	-41.6	0	0	0	113.6	K163 I164 L165	K163-N167 PolarHBondContact O-ND2 3.01Å; I164-N167 WeakPolarHBondContact O-CA 3.36Å; I164-N167 WeakPolarHBondContact O-CB 3.14Å; I164-N167 PolarHBondContact O-N 3.23Å; L165-N167 PolarHBondContact O-N 3.45Å; L165-N167 VanDerWaalsContact O-N 3.16Å
168	Y	44.5	Very low	48.8	Very low	190 Å²	190	106.5 Å²	106.5	75%	0.745	53%	0.534	S	S	*	.	H	α-helix	trans	-114	-11.6	-173	-87	-91.9	0	0	0	115.1	I164 L165	I164-Y168 HydrophobicContact CG2-CD2 3.96Å; I164-Y168 PolarHBondContact O-N 3.34Å; L165-Y168 PolarHBondContact O-N 3.3Å
169	H	45.4	Very low	47.9	Very low	93 Å²	93	111.4 Å²	111.4	43%	0.431	57%	0.565	S	S	.	*	S	Bend	trans	-133.8	148.2	-179.2	-81.3	81.3	0	0	0	113.2	L165 L171	L165-H169 PolarHBondContact O-N 3.43Å; H169-L171 HydrophobicContact CB-CD2 4.42Å; H169-L171 PolarHBondContact O-N 3.2Å
170	H	49.8	Very low	46.9	Very low	187 Å²	187	113.7 Å²	113.7	87%	0.866	58%	0.584	S	S	*	*			trans	-69.6	91.2	172.2	-65.5	-58.8	0	0	0	110.2
171	L	48.6	Very low	46.3	Very low	55 Å²	55	116.4 Å²	116.4	29%	0.288	60%	0.596	S	S	.	*			trans	-69.6	138.8	177.3	-55.5	-170.9	0	0	0	111.1	V21 P166 H169 K173	V21-L171 HydrophobicContact CG1-CB 4.4Å; V21-L171 HydrophobicContact CG1-CD1 3.9Å; V21-L171 HydrophobicContact CG1-CD2 3.33Å; V21-L171 HydrophobicContact CG1-CG 4.05Å; V21-L171 HydrophobicContact CG2-CD1 4.39Å; P166-L171 HydrophobicContact CB-CD1 3.93Å; P166-L171 HydrophobicContact CG-CD1 4.05Å; H169-L171 HydrophobicContact CB-CD2 4.42Å; H169-L171 PolarHBondContact O-N 3.2Å; L171-K173 PolarHBondContact O-N 3.3Å
172	M	44.9	Very low	45.7	Very low	108 Å²	108	120.5 Å²	120.5	53%	0.532	63%	0.625	S	S	.	*			trans	-60.3	111.9	163.7	-77.5	-169.7	133.1	0	0	108.6	V22 V174	V22-M172 VanDerWaalsContact O-CB 3.3Å; V22-M172 WeakPolarHBondContact O-CB 3.35Å; V22-M172 VanDerWaalsContact O-CG 3.32Å; V22-M172 WeakPolarHBondContact O-CG 3.43Å; M172-V174 PolarHBondContact O-N 3.32Å; M172-V174 VanDerWaalsContact O-N 3.11Å
173	K	43.1	Very low	45.3	Very low	202 Å²	202	124.3 Å²	124.3	88%	0.878	65%	0.648	S	S	*	*			trans	-65.6	110.9	172	-85	179.8	177.5	172	0	109	L171 S175	L171-K173 PolarHBondContact O-N 3.3Å; K173-S175 PolarHBondContact O-N 3.22Å
174	V	44.9	Very low	44.7	Very low	84 Å²	84	126.3 Å²	126.3	51%	0.509	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-58.1	120.3	156.2	-179.5	0	0	0	0	106.7	M172 R176	M172-V174 PolarHBondContact O-N 3.32Å; M172-V174 VanDerWaalsContact O-N 3.11Å; V174-R176 PolarHBondContact O-N 3.06Å; V174-R176 VanDerWaalsContact O-N 3.14Å
175	S	35.8	Very low	44.5	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-59	123	177.3	66.1	0	0	0	0	108.4	K173 T177	K173-S175 PolarHBondContact O-N 3.22Å; S175-T177 PolarHBondContact O-N 3.13Å; S175-T177 VanDerWaalsContact O-N 3.14Å
176	R	37.2	Very low	44	Very low	231 Å²	231	144.7 Å²	144.7	87%	0.872	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.5	120.7	172.6	-68.7	177.5	179.9	179.9	-1.6	107.1	V174 S178	V174-R176 PolarHBondContact O-N 3.06Å; V174-R176 VanDerWaalsContact O-N 3.14Å; R176-S178 PolarHBondContact O-N 3.01Å
177	T	30.4	Very low	43.5	Very low	142 Å²	142	148.5 Å²	148.5	87%	0.871	76%	0.756	S	S	*	*			trans	-57.7	89.6	153.6	46.6	0	0	0	0	107.6	S175 T179	S175-T177 PolarHBondContact O-N 3.13Å; S175-T177 VanDerWaalsContact O-N 3.14Å; T177-T179 PolarHBondContact O-N 2.72Å
178	S	36.5	Very low	43	Very low	102 Å²	102	149.6 Å²	149.6	71%	0.713	76%	0.759	S	S	*	*			trans	-82.2	94.9	164.7	57	0	0	0	0	107.7	R176	R176-S178 PolarHBondContact O-N 3.01Å
179	T	38.9	Very low	42.9	Very low	115 Å²	115	147.3 Å²	147.3	71%	0.706	76%	0.76	S	S	*	*			trans	17.5	122.1	141.7	39	0	0	0	0	117.2	T177 K181	T177-T179 PolarHBondContact O-N 2.72Å; T179-K181 PolarHBondContact O-N 3.13Å
180	P	37.9	Very low	42.7	Very low	130 Å²	130	150.5 Å²	150.5	84%	0.844	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.1	120	165.6	28.3	-28.9	0	0	0	108.6
181	K	45.4	Very low	42.3	Very low	185 Å²	185	148.3 Å²	148.3	80%	0.804	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-59.5	138.6	168.1	-73.1	179.9	176.1	-179.6	0	109.2	T179 T183	T179-K181 PolarHBondContact O-N 3.13Å; K181-T183 PolarHBondContact O-N 3.31Å
182	P	41.9	Very low	41.9	Very low	127 Å²	127	154.5 Å²	154.5	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.4	118.2	168.7	27.8	-29.4	0	0	0	107.9	E184	P182-E184 PolarHBondContact O-N 2.86Å
183	T	50.4	Low	41.7	Very low	138 Å²	138	157.8 Å²	157.8	85%	0.847	83%	0.826	S	S	*	*			trans	-82.1	104.4	171	-1.1	0	0	0	0	107.4	K181 K185	K181-T183 PolarHBondContact O-N 3.31Å; T183-K185 PolarHBondContact O-N 3.24Å
184	E	45.7	Very low	41.6	Very low	189 Å²	189	154.4 Å²	154.4	88%	0.883	82%	0.822	S	S	*	*			trans	-55.2	116.5	164.5	-166.2	171.3	173.5	0	0	108.6	P182	P182-E184 PolarHBondContact O-N 2.86Å
185	K	51.4	Low	41.3	Very low	198 Å²	198	160.3 Å²	160.3	86%	0.861	85%	0.848	S	S	*	*			trans	-81.1	121.2	168.1	-80.4	-174	174.7	-174.5	0	107.9	T183	T183-K185 PolarHBondContact O-N 3.24Å
186	Q	43.8	Very low	41.8	Very low	262 Å²	262	165.4 Å²	165.4	100%	1.224	86%	0.859	S	S	*	*			trans	-62.8	0	153.5	-69.9	176.6	4	0	0	110.5

Retrieved 186 of 186 residues in 139.3 ms (Link to these results)

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