A0A077YZ22_TRITR Loading...

Protein quiver

AlphaFold DB , UniProt , Accession A0A077YZ22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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	59.2	Low	67.6	Low	209 Å²	209	112.3 Å²	112.3	100%	1.03	58%	0.582	S	S	*	*				0	-54.9	0	-68.9	-172.5	-72.4	0	0	113.5	A3 I4	M1-A3 PolarHBondContact O-N 3.34Å; M1-I4 PolarHBondContact O-N 3.24Å
2	K	70.1	Confident	67.1	Low	169 Å²	169	110.2 Å²	110.2	74%	0.735	58%	0.578	S	S	*	*	H	α-helix	trans	-57.1	-41.9	-178.5	-67.9	-179.7	177.2	176.9	0	114.7	I4 F5 Y6	K2-I4 VanDerWaalsContact C-N 3.34Å; K2-I4 PolarHBondContact O-N 3.46Å; K2-F5 PolarHBondContact O-N 3.34Å; K2-Y6 HydrophobicContact CB-CE2 4.14Å; K2-Y6 WeakPolarHBondContact O-CD2 3.03Å; K2-Y6 PolarHBondContact O-N 3.34Å
3	A	70.4	Confident	66.6	Low	74 Å²	74	106.4 Å²	106.4	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-61	-36.2	-178.7	0	0	0	0	0	114.2	M1 Y6 C7	M1-A3 PolarHBondContact O-N 3.34Å; A3-Y6 PolarHBondContact O-N 3.26Å; A3-C7 PolarHBondContact O-N 3.09Å
4	I	69.2	Low	66.2	Low	93 Å²	93	107.1 Å²	107.1	48%	0.477	58%	0.582	S	S	.	*	H	α-helix	trans	-71.3	-37.2	-179.9	-60.4	173.2	0	0	0	110.4	M1 K2 Y6 C7 L8	M1-I4 PolarHBondContact O-N 3.24Å; K2-I4 VanDerWaalsContact C-N 3.34Å; K2-I4 PolarHBondContact O-N 3.46Å; I4-Y6 VanDerWaalsContact C-N 3.33Å; I4-Y6 PolarHBondContact O-N 3.47Å; I4-C7 PolarHBondContact O-N 3.22Å; I4-L8 HydrophobicContact CG2-CD1 4.4Å; I4-L8 PolarHBondContact O-N 3.27Å; I4-L8 VanDerWaalsContact O-N 3.08Å
5	F	70.1	Confident	65.7	Low	148 Å²	148	106.2 Å²	106.2	65%	0.649	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-38.7	176.9	-138	-86.7	0	0	0	111.8	K2 L8 L9	K2-F5 PolarHBondContact O-N 3.34Å; F5-L8 PolarHBondContact O-N 3.46Å; F5-L9 HydrophobicContact CD1-CD1 4.19Å; F5-L9 PolarHBondContact O-N 3.12Å; F5-L9 VanDerWaalsContact O-N 3.12Å
6	Y	75.1	Confident	65.1	Low	162 Å²	162	108.4 Å²	108.4	64%	0.635	60%	0.595	S	S	*	*	H	α-helix	trans	-67.7	-37.7	175.2	-67.9	-61.9	0	0	0	112.8	K2 A3 I4 A10	K2-Y6 HydrophobicContact CB-CE2 4.14Å; K2-Y6 WeakPolarHBondContact O-CD2 3.03Å; K2-Y6 PolarHBondContact O-N 3.34Å; A3-Y6 PolarHBondContact O-N 3.26Å; I4-Y6 VanDerWaalsContact C-N 3.33Å; I4-Y6 PolarHBondContact O-N 3.47Å; Y6-A10 PolarHBondContact O-N 3.04Å; Y6-A10 VanDerWaalsContact O-N 3.09Å
7	C	68.5	Low	64.4	Low	82 Å²	82	106.6 Å²	106.6	55%	0.554	60%	0.598	S	S	*	*	H	α-helix	trans	-63	-42.9	173.7	-92.7	0	0	0	0	112.6	A3 I4 A10 I11	A3-C7 PolarHBondContact O-N 3.09Å; I4-C7 PolarHBondContact O-N 3.22Å; C7-A10 PolarHBondContact O-N 3.09Å; C7-I11 WeakPolarHBondContact O-CG1 3.5Å; C7-I11 PolarHBondContact O-N 3.15Å; C7-I11 VanDerWaalsContact O-N 3.09Å
8	L	64.8	Low	63.8	Low	54 Å²	54	109.6 Å²	109.6	28%	0.283	61%	0.612	S	S	.	*	H	α-helix	trans	-66.1	-41.1	179.4	-71.2	171.8	0	0	0	112	I4 F5 A10 I11 V12 I138 V142	I4-L8 HydrophobicContact CG2-CD1 4.4Å; I4-L8 PolarHBondContact O-N 3.27Å; I4-L8 VanDerWaalsContact O-N 3.08Å; F5-L8 PolarHBondContact O-N 3.46Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.32Å; L8-I11 PolarHBondContact O-N 3.32Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.32Å; L8-V12 VanDerWaalsContact O-N 3.13Å; L8-I138 HydrophobicContact CD2-CG2 4.35Å; L8-V142 HydrophobicContact CD1-CG2 3.84Å; L8-V142 HydrophobicContact CD2-CG2 4.4Å
9	L	66.3	Low	63.4	Low	104 Å²	104	113.8 Å²	113.8	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-60.6	-39.2	173.2	-81.1	167.1	0	0	0	112.1	F5 V12 A13	F5-L9 HydrophobicContact CD1-CD1 4.19Å; F5-L9 PolarHBondContact O-N 3.12Å; F5-L9 VanDerWaalsContact O-N 3.12Å; L9-V12 PolarHBondContact O-N 3.44Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.08Å
10	A	66.1	Low	63	Low	54 Å²	54	112.2 Å²	112.2	45%	0.446	62%	0.624	S	S	.	*	H	α-helix	trans	-65.4	-40.9	177.3	0	0	0	0	0	112.4	Y6 C7 L8 A13 V14	Y6-A10 PolarHBondContact O-N 3.04Å; Y6-A10 VanDerWaalsContact O-N 3.09Å; C7-A10 PolarHBondContact O-N 3.09Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.32Å; A10-A13 PolarHBondContact O-N 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 3.43Å; A10-V14 VanDerWaalsContact O-N 3.15Å
11	I	63.7	Low	62.2	Low	86 Å²	86	112.3 Å²	112.3	44%	0.441	63%	0.632	S	S	.	*	H	α-helix	trans	-66.5	-39.2	178.9	-64.8	164.3	0	0	0	111.2	C7 L8 V14 S15 I138	C7-I11 WeakPolarHBondContact O-CG1 3.5Å; C7-I11 PolarHBondContact O-N 3.15Å; C7-I11 VanDerWaalsContact O-N 3.09Å; L8-I11 PolarHBondContact O-N 3.32Å; I11-V14 PolarHBondContact O-N 3.41Å; I11-S15 PolarHBondContact O-OG 3.34Å; I11-S15 VanDerWaalsContact O-OG 3.13Å; I11-I138 HydrophobicContact CG2-CD1 4.17Å
12	V	61.7	Low	61.9	Low	87 Å²	87	106.5 Å²	106.5	53%	0.527	61%	0.608	S	S	.	*	H	α-helix	trans	-66	-40.3	175.4	176.1	0	0	0	0	111.2	L8 L9 V14 S15	L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.32Å; L8-V12 VanDerWaalsContact O-N 3.13Å; L9-V12 PolarHBondContact O-N 3.44Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.46Å; V12-S15 PolarHBondContact O-N 2.96Å
13	A	60.4	Low	61	Low	61 Å²	61	106.2 Å²	106.2	50%	0.504	61%	0.61	S	S	.	*	H	α-helix	trans	-63.5	-32.6	177.6	0	0	0	0	0	113.2	L9 A10 S15 I16	L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.08Å; A10-A13 PolarHBondContact O-N 3.27Å; A13-S15 VanDerWaalsContact C-N 3.31Å; A13-S15 PolarHBondContact O-N 3.01Å; A13-I16 WeakPolarHBondContact O-CG1 3.37Å
14	V	61.7	Low	60.1	Low	117 Å²	117	110.8 Å²	110.8	71%	0.709	62%	0.616	S	S	*	*	H	α-helix	trans	-71.6	-23.9	178.4	172.1	0	0	0	0	112.6	A10 I11 V12 I16	A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 3.43Å; A10-V14 VanDerWaalsContact O-N 3.15Å; I11-V14 PolarHBondContact O-N 3.41Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.46Å; V14-I16 PolarHBondContact O-N 3.37Å
15	S	58.3	Low	59.2	Low	93 Å²	93	111.1 Å²	111.1	65%	0.65	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-5.6	-172.3	-55.5	0	0	0	0	114.9	I11 V12 A13	I11-S15 PolarHBondContact O-OG 3.34Å; I11-S15 VanDerWaalsContact O-OG 3.13Å; V12-S15 PolarHBondContact O-N 2.96Å; A13-S15 VanDerWaalsContact C-N 3.31Å; A13-S15 PolarHBondContact O-N 3.01Å
16	I	56.6	Low	59.1	Low	142 Å²	142	107 Å²	107	73%	0.728	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	6.7	-175.5	51.5	170.9	0	0	0	114.3	A13 V14	A13-I16 WeakPolarHBondContact O-CG1 3.37Å; V14-I16 PolarHBondContact O-N 3.37Å
17	A	52	Low	59.7	Low	77 Å²	77	103.8 Å²	103.8	64%	0.636	62%	0.619	S	S	*	*			trans	-114.5	67.2	-176.3	0	0	0	0	0	112.3
18	D	54.2	Low	61	Low	161 Å²	161	101 Å²	101	86%	0.861	60%	0.599	S	S	*	*			trans	-137.3	53.3	158.1	-95.6	-30.7	0	0	0	109	S20	D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 PolarHBondContact O-N 2.99Å
19	E	56.6	Low	62.4	Low	189 Å²	189	102.9 Å²	102.9	88%	0.883	60%	0.604	S	S	*	*			trans	-89.6	84.2	152.1	-74.9	-171.4	157.7	0	0	106.6	S21	E19-S21 VanDerWaalsContact C-N 3.25Å; E19-S21 PolarHBondContact O-N 3.23Å
20	S	54.3	Low	63.8	Low	82 Å²	82	97.9 Å²	97.9	57%	0.573	58%	0.578	S	S	*	*			trans	-63.7	93.4	164.8	52.8	0	0	0	0	107.9	D18 V22	D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 PolarHBondContact O-N 2.99Å; S20-V22 PolarHBondContact O-N 3.13Å
21	S	47	Very low	65.3	Low	114 Å²	114	95.3 Å²	95.3	80%	0.797	56%	0.557	S	S	*	*			trans	-68.6	86.3	165	58.9	0	0	0	0	107.7	E19 E23	E19-S21 VanDerWaalsContact C-N 3.25Å; E19-S21 PolarHBondContact O-N 3.23Å; S21-E23 PolarHBondContact O-N 3.46Å
22	V	53.6	Low	66.8	Low	87 Å²	87	95.2 Å²	95.2	53%	0.527	55%	0.554	S	S	.	*			trans	-68.9	122.8	175.7	177.9	0	0	0	0	108.1	S20 K24	S20-V22 PolarHBondContact O-N 3.13Å; V22-K24 PolarHBondContact O-N 3.37Å
23	E	49.5	Very low	68.4	Low	164 Å²	164	91.8 Å²	91.8	77%	0.766	53%	0.533	S	S	*	.			trans	-54.6	123.5	176.4	-74.5	-170.2	154.4	0	0	111.2	S21 S25	S21-E23 PolarHBondContact O-N 3.46Å; E23-S25 PolarHBondContact O-N 3.4Å
24	K	53.3	Low	70.1	Confident	170 Å²	170	90.7 Å²	90.7	74%	0.739	52%	0.519	S	S	*	.			trans	-79.1	40.8	177.8	-145.8	174.4	-161.7	162.6	0	112.1	V22 D118	V22-K24 PolarHBondContact O-N 3.37Å; K24-D118 IonicContact NZ-OD2 2.89Å; K24-D118 PolarHBondContact NZ-OD2 3.3Å
25	S	49.3	Very low	71.6	Confident	100 Å²	100	85.9 Å²	85.9	70%	0.699	49%	0.491	S	S	*	.			trans	-107.1	5.2	-168.7	79.4	0	0	0	0	115.9	E23	E23-S25 PolarHBondContact O-N 3.4Å
26	G	68.7	Low	73.3	Confident	60 Å²	60	84.3 Å²	84.3	62%	0.619	48%	0.483	S	S	*	.	S	Bend	trans	-117	165	179.3	0	0	0	0	0	114.4	L28	G26-L28 PolarHBondContact O-N 3.13Å
27	N	88	Confident	75	Confident	96 Å²	96	85.5 Å²	85.5	51%	0.513	48%	0.483	S	S	.	.			trans	-54	126.4	164	-68.4	-2.7	0	0	0	108.7	K29 D56 T58	N27-K29 PolarHBondContact O-N 3.41Å; N27-D56 VanDerWaalsContact CB-OD2 3.31Å; N27-D56 WeakPolarHBondContact CB-OD2 3.3Å; N27-D56 PolarHBondContact ND2-OD2 2.87Å; N27-T58 HydrophobicContact CB-CG2 4.47Å
28	L	94.3	Very high	76.8	Confident	24 Å²	24	83.7 Å²	83.7	13%	0.126	46%	0.464	C	S	.	.			trans	-62.7	119.8	180	-177.3	79.2	0	0	0	109.6	G26 C57 P72 G74	G26-L28 PolarHBondContact O-N 3.13Å; L28-C57 HydrophobicContact CB-CB 4.45Å; L28-C57 HydrophobicContact CD2-CB 4.21Å; L28-C57 VanDerWaalsContact O-CB 3.3Å; L28-C57 WeakPolarHBondContact O-CB 3.3Å; L28-C57 PolarHBondContact O-N 3.34Å; L28-P72 HydrophobicContact CB-CG 4.17Å; L28-P72 HydrophobicContact CD2-CB 3.67Å; L28-P72 HydrophobicContact CD2-CG 3.95Å; L28-G74 WeakPolarHBondContact CD2-O 3.43Å
29	K	95.5	Very high	78.3	Confident	92 Å²	92	81.2 Å²	81.2	40%	0.4	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.6	176.1	-63.3	-175.8	-178.6	-179.6	0	110.6	N27 L54 V55 S120 E121	N27-K29 PolarHBondContact O-N 3.41Å; K29-L54 HydrophobicContact CB-CD1 3.77Å; K29-L54 HydrophobicContact CB-CG 4.17Å; K29-L54 HydrophobicContact CD-CD2 4.19Å; K29-L54 HydrophobicContact CD-CG 4.35Å; K29-V55 VanDerWaalsContact CA-O 3.25Å; K29-V55 WeakPolarHBondContact CA-O 3.39Å; K29-S120 PolarHBondContact N-OG 3.17Å; K29-S120 CarbonylContact O-C 3.52Å; K29-S120 WeakPolarHBondContact O-CA 3.28Å; K29-E121 PolarHBondContact O-N 3.37Å
30	C	96.1	Very high	79.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153	177.8	-58.6	0	0	0	0	110	V55 C57 C75	C30-V55 PolarHBondContact N-O 3Å; C30-V55 VanDerWaalsContact N-O 3.11Å; C30-V55 WeakPolarHBondContact O-CG2 3.4Å; C30-V55 PolarHBondContact O-N 2.92Å; C30-C57 VanDerWaalsContact CB-SG 3.55Å; C30-C57 PolarHBondContact SG-SG 3.29Å; C30-C75 VanDerWaalsContact CA-SG 3.57Å; C30-C75 HydrophobicContact CB-CB 3.7Å; C30-C75 WeakPolarHBondContact CB-SG 3.32Å; C30-C75 WeakPolarHBondContact SG-CA 3.43Å; C30-C75 WeakPolarHBondContact SG-CB 2.99Å; C30-C75 CovalentContact SG-SG 2.02Å; C30-C75 PolarHBondContact SG-SG 3.3Å
31	Y	95.8	Very high	81.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.6	168.1	-64	-82.3	0	0	0	109.3	L45 A50 Y53 L54 R90 E91 E121 N123 T124	Y31-L45 HydrophobicContact CD1-CD2 3.88Å; Y31-L45 HydrophobicContact CD2-CD2 3.74Å; Y31-L45 HydrophobicContact CE1-CD2 4.23Å; Y31-L45 HydrophobicContact CE2-CD2 4.13Å; Y31-L45 HydrophobicContact CG-CD2 3.6Å; Y31-A50 HydrophobicContact CD1-CB 3.86Å; Y31-A50 VanDerWaalsContact CD1-O 3.27Å; Y31-A50 WeakPolarHBondContact CD1-O 3.27Å; Y31-A50 HydrophobicContact CE1-CB 3.69Å; Y31-A50 VanDerWaalsContact CE1-O 3.23Å; Y31-A50 WeakPolarHBondContact CE1-O 3.24Å; Y31-Y53 CarbonylContact C-O 3.58Å; Y31-Y53 WeakPolarHBondContact CA-O 3.02Å; Y31-L54 HydrophobicContact CD1-CB 4.37Å; Y31-L54 HydrophobicContact CD1-CD1 4.41Å; Y31-L54 HydrophobicContact CE1-CB 4.23Å; Y31-L54 HydrophobicContact CE1-CD1 4.29Å; Y31-L54 HydrophobicContact CE2-CD1 4.39Å; Y31-R90 CarbonylContact O-C 3.58Å; Y31-R90 VanDerWaalsContact O-CB 3.23Å; Y31-R90 WeakPolarHBondContact O-CB 3.5Å; Y31-E91 PolarHBondContact O-N 3.36Å; Y31-E121 HydrophobicContact CE2-CB 3.94Å; Y31-E121 HydrophobicContact CE2-CG 4.05Å; Y31-N123 WeakPolarHBondContact CD2-OD1 3.29Å; Y31-N123 PolarHBondContact N-OD1 3.34Å; Y31-N123 PolarHBondContact O-ND2 3.08Å; Y31-T124 HydrophobicContact CD2-CG2 3.71Å; Y31-T124 HydrophobicContact CE2-CG2 3.18Å
32	K	95.9	Very high	83.5	Confident	84 Å²	84	69.1 Å²	69.1	37%	0.365	38%	0.383	S	S	.	.			trans	-122.4	101.8	177.1	-176.2	179.3	177.3	-178.1	0	110.2	Y53 V55 F62 R90	K32-Y53 PolarHBondContact N-O 3.28Å; K32-V55 HydrophobicContact CB-CG1 4.08Å; K32-V55 HydrophobicContact CB-CG2 3.65Å; K32-V55 HydrophobicContact CD-CG2 4.23Å; K32-F62 HydrophobicContact CD-CB 4.47Å; K32-F62 HydrophobicContact CD-CD1 4.48Å; K32-F62 PolarHBondContact NZ-O 3.45Å; K32-R90 VanDerWaalsContact CA-O 3.28Å; K32-R90 WeakPolarHBondContact CA-O 3.34Å
33	C	95.8	Very high	85	Confident	15 Å²	15	68 Å²	68	10%	0.101	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	168.7	-177.1	63	0	0	0	0	111.8	V38 C41 Y53 R90	C33-V38 HydrophobicContact CB-CG2 4.19Å; C33-C41 HydrophobicContact CB-CB 3.6Å; C33-C41 WeakPolarHBondContact CB-SG 3.32Å; C33-C41 WeakPolarHBondContact SG-CB 3.4Å; C33-C41 CovalentContact SG-SG 2.02Å; C33-C41 PolarHBondContact SG-SG 2.78Å; C33-Y53 HydrophobicContact CB-CD1 3.74Å; C33-Y53 HydrophobicContact CB-CD2 3.97Å; C33-Y53 HydrophobicContact CB-CE1 4.12Å; C33-Y53 HydrophobicContact CB-CE2 4.33Å; C33-Y53 HydrophobicContact CB-CG 3.64Å; C33-R90 PolarHBondContact N-O 3.26Å; C33-R90 VanDerWaalsContact N-O 3.08Å; C33-R90 PolarHBondContact O-N 2.93Å
34	N	95.2	Very high	86.6	Confident	37 Å²	37	65.7 Å²	65.7	20%	0.198	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	117	178.8	-179	-14.6	0	0	0	110.2	A36 F37 V38 C41 I88 V89	N34-A36 PolarHBondContact O-N 2.74Å; N34-A36 VanDerWaalsContact O-N 3.09Å; N34-A36 VanDerWaalsContact OD1-CB 3.24Å; N34-A36 WeakPolarHBondContact OD1-CB 3.06Å; N34-A36 PolarHBondContact OD1-N 3.35Å; N34-F37 HydrophobicContact CB-CD2 4.1Å; N34-F37 PolarHBondContact O-N 3.36Å; N34-V38 WeakPolarHBondContact O-CG2 3.32Å; N34-V38 PolarHBondContact O-N 3.46Å; N34-V38 VanDerWaalsContact O-N 3.12Å; N34-C41 PolarHBondContact N-SG 2.93Å; N34-C41 VanDerWaalsContact N-SG 3.39Å; N34-I88 WeakPolarHBondContact CA-O 3.41Å; N34-V89 HydrophobicContact CB-CG2 4.41Å
35	S	94.5	Very high	88.1	Confident	17 Å²	17	58.2 Å²	58.2	12%	0.119	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.5	-176.2	72.8	0	0	0	0	114.1	F37 V38 R87 I88	S35-F37 PolarHBondContact O-N 3.31Å; S35-V38 WeakPolarHBondContact CA-O 3.02Å; S35-R87 WeakPolarHBondContact OG-CA 3.38Å; S35-I88 PolarHBondContact N-O 3.41Å; S35-I88 PolarHBondContact OG-N 2.97Å
36	A	92.3	Very high	89.9	Confident	59 Å²	59	58 Å²	58	49%	0.488	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25	173.7	0	0	0	0	0	113.5	N34 R87	N34-A36 PolarHBondContact O-N 2.74Å; N34-A36 VanDerWaalsContact O-N 3.09Å; N34-A36 VanDerWaalsContact OD1-CB 3.24Å; N34-A36 WeakPolarHBondContact OD1-CB 3.06Å; N34-A36 PolarHBondContact OD1-N 3.35Å; A36-R87 HydrophobicContact CB-CB 4.49Å
37	F	92.6	Very high	90.6	Very high	167 Å²	167	60.2 Å²	60.2	73%	0.732	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-23.6	-178.8	-53.5	-59.4	0	0	0	113	N34 S35	N34-F37 HydrophobicContact CB-CD2 4.1Å; N34-F37 PolarHBondContact O-N 3.36Å; S35-F37 PolarHBondContact O-N 3.31Å
38	V	91.1	Very high	90.5	Very high	39 Å²	39	61.4 Å²	61.4	24%	0.236	34%	0.34	C	S	.	.			trans	-133.7	100.8	-178.1	-76.5	0	0	0	0	110.4	C33 N34 S35 D40 C41 Y53	C33-V38 HydrophobicContact CB-CG2 4.19Å; N34-V38 WeakPolarHBondContact O-CG2 3.32Å; N34-V38 PolarHBondContact O-N 3.46Å; N34-V38 VanDerWaalsContact O-N 3.12Å; S35-V38 WeakPolarHBondContact CA-O 3.02Å; V38-D40 PolarHBondContact O-N 3.31Å; V38-D40 VanDerWaalsContact O-N 3.14Å; V38-C41 HydrophobicContact CG2-CB 3.72Å; V38-C41 VanDerWaalsContact O-CB 3.28Å; V38-C41 WeakPolarHBondContact O-CB 3.46Å; V38-C41 PolarHBondContact O-N 3.26Å; V38-Y53 VanDerWaalsContact CB-OH 3.26Å; V38-Y53 WeakPolarHBondContact CB-OH 3.33Å; V38-Y53 WeakPolarHBondContact CG1-OH 3.36Å; V38-Y53 HydrophobicContact CG2-CE1 4.28Å
39	P	85.8	Confident	89.9	Confident	110 Å²	110	62.4 Å²	62.4	71%	0.714	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27.4	-172.5	-27.8	35.4	0	0	0	115.3	C41 D42	P39-C41 PolarHBondContact O-N 3.38Å; P39-D42 WeakPolarHBondContact O-CB 3.37Å; P39-D42 PolarHBondContact O-N 3.49Å; P39-D42 VanDerWaalsContact O-N 3.14Å
40	D	88.3	Confident	89.5	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.273	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-74.8	-3.9	176.5	61.4	-45	0	0	0	113.8	V38 D42 R52 Y53	V38-D40 PolarHBondContact O-N 3.31Å; V38-D40 VanDerWaalsContact O-N 3.14Å; D40-D42 VanDerWaalsContact C-N 3.27Å; D40-R52 IonicContact OD1-CZ 3.96Å; D40-R52 IonicContact OD1-NH2 2.87Å; D40-R52 PolarHBondContact OD1-NH2 3.39Å; D40-R52 IonicContact OD2-CZ 2.74Å; D40-R52 IonicContact OD2-NE 3.85Å; D40-R52 PolarHBondContact OD2-NE 2.84Å; D40-R52 IonicContact OD2-NH2 2.99Å; D40-R52 PolarHBondContact OD2-NH2 3.28Å; D40-Y53 VanDerWaalsContact CG-OH 3.3Å; D40-Y53 PolarHBondContact OD1-OH 3.23Å; D40-Y53 WeakPolarHBondContact OD2-CE2 3.26Å; D40-Y53 PolarHBondContact OD2-OH 2.9Å; D40-Y53 VanDerWaalsContact OD2-OH 3.13Å
41	C	91	Very high	89.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-86.5	12.7	165.6	-174.1	0	0	0	0	112.4	C33 N34 V38 P39 Y53 R90	C33-C41 HydrophobicContact CB-CB 3.6Å; C33-C41 WeakPolarHBondContact CB-SG 3.32Å; C33-C41 WeakPolarHBondContact SG-CB 3.4Å; C33-C41 CovalentContact SG-SG 2.02Å; C33-C41 PolarHBondContact SG-SG 2.78Å; N34-C41 PolarHBondContact N-SG 2.93Å; N34-C41 VanDerWaalsContact N-SG 3.39Å; V38-C41 HydrophobicContact CG2-CB 3.72Å; V38-C41 VanDerWaalsContact O-CB 3.28Å; V38-C41 WeakPolarHBondContact O-CB 3.46Å; V38-C41 PolarHBondContact O-N 3.26Å; P39-C41 PolarHBondContact O-N 3.38Å; C41-Y53 HydrophobicContact CB-CE2 4.49Å; C41-R90 PolarHBondContact O-NH1 2.74Å; C41-R90 PolarHBondContact SG-NH1 3.46Å; C41-R90 VanDerWaalsContact SG-NH1 3.41Å
42	D	88	Confident	89.1	Confident	80 Å²	80	70.5 Å²	70.5	43%	0.428	39%	0.385	S	S	.	.	S	Bend	trans	-75.1	-173.7	174.8	-149.1	-13.5	0	0	0	112.2	P39 D40 I88 R90	P39-D42 WeakPolarHBondContact O-CB 3.37Å; P39-D42 PolarHBondContact O-N 3.49Å; P39-D42 VanDerWaalsContact O-N 3.14Å; D40-D42 VanDerWaalsContact C-N 3.27Å; D42-I88 WeakPolarHBondContact OD1-CD1 3.25Å; D42-R90 PolarHBondContact O-NH2 2.89Å
43	S	83.8	Confident	89	Confident	63 Å²	63	67.7 Å²	67.7	44%	0.441	37%	0.372	S	S	.	.	S	Bend	trans	-109.3	137.9	172.7	-175.3	0	0	0	0	110.8	A125	S43-A125 VanDerWaalsContact OG-CB 3.3Å; S43-A125 WeakPolarHBondContact OG-CB 3.36Å
44	P	83.9	Confident	89	Confident	115 Å²	115	68.8 Å²	68.8	75%	0.747	38%	0.377	S	S	*	.	S	Bend	cis	-72.1	143.9	-3.3	30	-34.7	0	0	0	112.5	N46 A125	P44-N46 PolarHBondContact O-N 2.91Å; P44-A125 HydrophobicContact CB-CB 4.32Å
45	L	85.4	Confident	89	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.073	37%	0.372	C	S	.	.			trans	-75.2	119.1	179.3	-169.2	71.7	0	0	0	110.3	Y31 K47 A50 T124	Y31-L45 HydrophobicContact CD1-CD2 3.88Å; Y31-L45 HydrophobicContact CD2-CD2 3.74Å; Y31-L45 HydrophobicContact CE1-CD2 4.23Å; Y31-L45 HydrophobicContact CE2-CD2 4.13Å; Y31-L45 HydrophobicContact CG-CD2 3.6Å; L45-K47 PolarHBondContact O-N 3.33Å; L45-A50 HydrophobicContact CD1-CB 3.66Å; L45-A50 HydrophobicContact CD2-CB 3.76Å; L45-A50 HydrophobicContact CG-CB 3.57Å; L45-T124 HydrophobicContact CD2-CG2 3.95Å
46	N	86.4	Confident	89.1	Confident	95 Å²	95	68.9 Å²	68.9	51%	0.508	38%	0.376	S	S	.	.			trans	-73	105.3	171	-179.4	-35.2	0	0	0	109.6	P44 T48 A49 A50	P44-N46 PolarHBondContact O-N 2.91Å; N46-T48 VanDerWaalsContact C-N 3.25Å; N46-T48 PolarHBondContact O-N 2.77Å; N46-T48 WeakPolarHBondContact OD1-CB 3.29Å; N46-T48 PolarHBondContact OD1-N 2.97Å; N46-A49 HydrophobicContact CB-CB 4.16Å; N46-A49 PolarHBondContact O-N 3.1Å; N46-A49 PolarHBondContact OD1-N 3.27Å; N46-A49 VanDerWaalsContact OD1-N 3.16Å; N46-A50 WeakPolarHBondContact O-CB 3.39Å; N46-A50 PolarHBondContact O-N 3.48Å
47	K	82.8	Confident	89.3	Confident	107 Å²	107	66 Å²	66	47%	0.465	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.4	-176.5	-72.6	-170.8	177.6	-166.8	0	114.1	L45 Q51 T124	L45-K47 PolarHBondContact O-N 3.33Å; K47-Q51 WeakPolarHBondContact O-CG 3.32Å; K47-Q51 PolarHBondContact O-N 3.43Å; K47-Q51 PolarHBondContact O-NE2 3.17Å; K47-T124 HydrophobicContact CD-CG2 4.26Å; K47-T124 HydrophobicContact CG-CG2 3.9Å
48	T	85.5	Confident	89.3	Confident	120 Å²	120	60.6 Å²	60.6	74%	0.736	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-48.4	-179.5	-54.1	0	0	0	0	110.8	N46 A50	N46-T48 VanDerWaalsContact C-N 3.25Å; N46-T48 PolarHBondContact O-N 2.77Å; N46-T48 WeakPolarHBondContact OD1-CB 3.29Å; N46-T48 PolarHBondContact OD1-N 2.97Å; T48-A50 VanDerWaalsContact C-N 3.33Å
49	A	83.3	Confident	89.5	Confident	46 Å²	46	61.8 Å²	61.8	38%	0.38	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-68.3	-35.5	177	0	0	0	0	0	111.9	N46 Q51	N46-A49 HydrophobicContact CB-CB 4.16Å; N46-A49 PolarHBondContact O-N 3.1Å; N46-A49 PolarHBondContact OD1-N 3.27Å; N46-A49 VanDerWaalsContact OD1-N 3.16Å; A49-Q51 VanDerWaalsContact C-N 3.28Å; A49-Q51 PolarHBondContact O-N 3.02Å
50	A	86.7	Confident	89.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-78	-5	-175.7	0	0	0	0	0	114.4	Y31 L45 N46 T48 R52 Y53	Y31-A50 HydrophobicContact CD1-CB 3.86Å; Y31-A50 VanDerWaalsContact CD1-O 3.27Å; Y31-A50 WeakPolarHBondContact CD1-O 3.27Å; Y31-A50 HydrophobicContact CE1-CB 3.69Å; Y31-A50 VanDerWaalsContact CE1-O 3.23Å; Y31-A50 WeakPolarHBondContact CE1-O 3.24Å; L45-A50 HydrophobicContact CD1-CB 3.66Å; L45-A50 HydrophobicContact CD2-CB 3.76Å; L45-A50 HydrophobicContact CG-CB 3.57Å; N46-A50 WeakPolarHBondContact O-CB 3.39Å; N46-A50 PolarHBondContact O-N 3.48Å; T48-A50 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 2.78Å; A50-R52 VanDerWaalsContact O-N 3.08Å; A50-Y53 HydrophobicContact CB-CD2 4.11Å; A50-Y53 WeakPolarHBondContact O-CA 3.31Å; A50-Y53 WeakPolarHBondContact O-CB 3.15Å; A50-Y53 PolarHBondContact O-N 2.86Å
51	Q	90.3	Very high	90.1	Very high	95 Å²	95	61.1 Å²	61.1	44%	0.444	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-52.5	-32.8	176.3	-76	-55.9	-42	0	0	112.4	K47 A49 Y53 L54	K47-Q51 WeakPolarHBondContact O-CG 3.32Å; K47-Q51 PolarHBondContact O-N 3.43Å; K47-Q51 PolarHBondContact O-NE2 3.17Å; A49-Q51 VanDerWaalsContact C-N 3.28Å; A49-Q51 PolarHBondContact O-N 3.02Å; Q51-Y53 PolarHBondContact O-N 3.15Å; Q51-Y53 VanDerWaalsContact O-N 3.13Å; Q51-L54 WeakPolarHBondContact O-CB 3.49Å; Q51-L54 PolarHBondContact O-N 3.01Å
52	R	92.6	Very high	90.1	Very high	165 Å²	165	64.6 Å²	64.6	62%	0.623	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-62.8	-16	175.4	71.8	-170.4	-170.4	148.8	-3	114.9	D40 A50	D40-R52 IonicContact OD1-CZ 3.96Å; D40-R52 IonicContact OD1-NH2 2.87Å; D40-R52 PolarHBondContact OD1-NH2 3.39Å; D40-R52 IonicContact OD2-CZ 2.74Å; D40-R52 IonicContact OD2-NE 3.85Å; D40-R52 PolarHBondContact OD2-NE 2.84Å; D40-R52 IonicContact OD2-NH2 2.99Å; D40-R52 PolarHBondContact OD2-NH2 3.28Å; A50-R52 PolarHBondContact O-N 2.78Å; A50-R52 VanDerWaalsContact O-N 3.08Å
53	Y	94.4	Very high	90.4	Very high	26 Å²	26	61.4 Å²	61.4	10%	0.102	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-101.8	-3.3	177.2	-54.7	-51.8	0	0	0	113.1	Y31 K32 C33 V38 D40 C41 A50 Q51 V55	Y31-Y53 CarbonylContact C-O 3.58Å; Y31-Y53 WeakPolarHBondContact CA-O 3.02Å; K32-Y53 PolarHBondContact N-O 3.28Å; C33-Y53 HydrophobicContact CB-CD1 3.74Å; C33-Y53 HydrophobicContact CB-CD2 3.97Å; C33-Y53 HydrophobicContact CB-CE1 4.12Å; C33-Y53 HydrophobicContact CB-CE2 4.33Å; C33-Y53 HydrophobicContact CB-CG 3.64Å; V38-Y53 VanDerWaalsContact CB-OH 3.26Å; V38-Y53 WeakPolarHBondContact CB-OH 3.33Å; V38-Y53 WeakPolarHBondContact CG1-OH 3.36Å; V38-Y53 HydrophobicContact CG2-CE1 4.28Å; D40-Y53 VanDerWaalsContact CG-OH 3.3Å; D40-Y53 PolarHBondContact OD1-OH 3.23Å; D40-Y53 WeakPolarHBondContact OD2-CE2 3.26Å; D40-Y53 PolarHBondContact OD2-OH 2.9Å; D40-Y53 VanDerWaalsContact OD2-OH 3.13Å; C41-Y53 HydrophobicContact CB-CE2 4.49Å; A50-Y53 HydrophobicContact CB-CD2 4.11Å; A50-Y53 WeakPolarHBondContact O-CA 3.31Å; A50-Y53 WeakPolarHBondContact O-CB 3.15Å; A50-Y53 PolarHBondContact O-N 2.86Å; Q51-Y53 PolarHBondContact O-N 3.15Å; Q51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-V55 PolarHBondContact O-N 3.49Å
54	L	94.9	Very high	90.8	Very high	37 Å²	37	61.4 Å²	61.4	19%	0.194	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.9	179.2	-170.4	62.7	0	0	0	109.2	K29 Y31 Q51 E121	K29-L54 HydrophobicContact CB-CD1 3.77Å; K29-L54 HydrophobicContact CB-CG 4.17Å; K29-L54 HydrophobicContact CD-CD2 4.19Å; K29-L54 HydrophobicContact CD-CG 4.35Å; Y31-L54 HydrophobicContact CD1-CB 4.37Å; Y31-L54 HydrophobicContact CD1-CD1 4.41Å; Y31-L54 HydrophobicContact CE1-CB 4.23Å; Y31-L54 HydrophobicContact CE1-CD1 4.29Å; Y31-L54 HydrophobicContact CE2-CD1 4.39Å; Q51-L54 WeakPolarHBondContact O-CB 3.49Å; Q51-L54 PolarHBondContact O-N 3.01Å; L54-E121 HydrophobicContact CD1-CG 3.6Å; L54-E121 HydrophobicContact CD2-CG 4.46Å
55	V	95.8	Very high	91.3	Very high	16 Å²	16	60 Å²	60	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.5	179.4	-59.8	0	0	0	0	111	K29 C30 K32 Y53 F62	K29-V55 VanDerWaalsContact CA-O 3.25Å; K29-V55 WeakPolarHBondContact CA-O 3.39Å; C30-V55 PolarHBondContact N-O 3Å; C30-V55 VanDerWaalsContact N-O 3.11Å; C30-V55 WeakPolarHBondContact O-CG2 3.4Å; C30-V55 PolarHBondContact O-N 2.92Å; K32-V55 HydrophobicContact CB-CG1 4.08Å; K32-V55 HydrophobicContact CB-CG2 3.65Å; K32-V55 HydrophobicContact CD-CG2 4.23Å; Y53-V55 PolarHBondContact O-N 3.49Å; V55-F62 HydrophobicContact CB-CD1 4.41Å; V55-F62 HydrophobicContact CB-CD2 3.9Å; V55-F62 HydrophobicContact CB-CE2 4.09Å; V55-F62 HydrophobicContact CB-CG 4.09Å; V55-F62 HydrophobicContact CB-CZ 4.41Å; V55-F62 HydrophobicContact CG1-CD1 3.97Å; V55-F62 HydrophobicContact CG1-CD2 4.24Å; V55-F62 HydrophobicContact CG1-CE1 3.86Å; V55-F62 HydrophobicContact CG1-CE2 4.15Å; V55-F62 HydrophobicContact CG1-CG 4.16Å; V55-F62 HydrophobicContact CG1-CZ 3.96Å
56	D	95.7	Very high	91.8	Very high	40 Å²	40	66.5 Å²	66.5	21%	0.214	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.4	165.7	-170.4	-30	0	0	0	109	N27 T58 D59	N27-D56 VanDerWaalsContact CB-OD2 3.31Å; N27-D56 WeakPolarHBondContact CB-OD2 3.3Å; N27-D56 PolarHBondContact ND2-OD2 2.87Å; D56-T58 VanDerWaalsContact CG-OG1 3.3Å; D56-T58 PolarHBondContact O-N 3.05Å; D56-T58 WeakPolarHBondContact OD1-CA 3.34Å; D56-T58 WeakPolarHBondContact OD1-CB 3.49Å; D56-T58 PolarHBondContact OD1-N 3.2Å; D56-T58 PolarHBondContact OD1-OG1 2.85Å; D56-T58 PolarHBondContact OD2-OG1 3.02Å; D56-D59 HydrophobicContact CB-CB 4.33Å; D56-D59 PolarHBondContact O-N 3.11Å
57	C	96.2	Very high	92.2	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.4	-178.5	-63.3	0	0	0	0	113.4	L28 C30 K63 P72 C92 Y94	L28-C57 HydrophobicContact CB-CB 4.45Å; L28-C57 HydrophobicContact CD2-CB 4.21Å; L28-C57 VanDerWaalsContact O-CB 3.3Å; L28-C57 WeakPolarHBondContact O-CB 3.3Å; L28-C57 PolarHBondContact O-N 3.34Å; C30-C57 VanDerWaalsContact CB-SG 3.55Å; C30-C57 PolarHBondContact SG-SG 3.29Å; C57-K63 WeakPolarHBondContact O-CE 3.47Å; C57-P72 HydrophobicContact CB-CB 3.63Å; C57-P72 HydrophobicContact CB-CG 3.72Å; C57-C92 WeakPolarHBondContact CA-SG 3.3Å; C57-C92 HydrophobicContact CB-CB 3.64Å; C57-C92 WeakPolarHBondContact CB-SG 3.24Å; C57-C92 WeakPolarHBondContact SG-CB 3.28Å; C57-C92 CovalentContact SG-SG 2.03Å; C57-C92 PolarHBondContact SG-SG 3.19Å; C57-Y94 PolarHBondContact O-OH 2.84Å
58	T	94.5	Very high	92.7	Very high	53 Å²	53	65 Å²	65	33%	0.325	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-22.7	173.8	69.8	0	0	0	0	111.9	N27 D56 E60 K63 P72	N27-T58 HydrophobicContact CB-CG2 4.47Å; D56-T58 VanDerWaalsContact CG-OG1 3.3Å; D56-T58 PolarHBondContact O-N 3.05Å; D56-T58 WeakPolarHBondContact OD1-CA 3.34Å; D56-T58 WeakPolarHBondContact OD1-CB 3.49Å; D56-T58 PolarHBondContact OD1-N 3.2Å; D56-T58 PolarHBondContact OD1-OG1 2.85Å; D56-T58 PolarHBondContact OD2-OG1 3.02Å; T58-E60 PolarHBondContact O-N 2.9Å; T58-K63 VanDerWaalsContact O-CE 3.24Å; T58-K63 WeakPolarHBondContact O-CE 3.33Å; T58-K63 PolarHBondContact O-NZ 3.44Å; T58-P72 HydrophobicContact CG2-CG 4.18Å
59	D	94.8	Very high	93.1	Very high	64 Å²	64	62.3 Å²	62.3	34%	0.342	35%	0.346	S	S	.	.			trans	-66.3	115.4	176.6	176.9	3.2	0	0	0	110.5	D56 S61 F62	D56-D59 HydrophobicContact CB-CB 4.33Å; D56-D59 PolarHBondContact O-N 3.11Å; D59-S61 PolarHBondContact O-N 3.09Å; D59-S61 VanDerWaalsContact O-N 3.14Å; D59-S61 VanDerWaalsContact OD1-CB 3.28Å; D59-S61 WeakPolarHBondContact OD1-CB 3.04Å; D59-S61 PolarHBondContact OD1-N 3.18Å; D59-S61 PolarHBondContact OD1-OG 3.19Å; D59-S61 VanDerWaalsContact OD1-OG 3.08Å; D59-S61 PolarHBondContact OD2-OG 2.78Å; D59-F62 HydrophobicContact CB-CD2 3.91Å; D59-F62 HydrophobicContact CB-CE2 4.33Å; D59-F62 PolarHBondContact O-N 2.96Å; D59-F62 VanDerWaalsContact O-N 3.11Å; D59-F62 WeakPolarHBondContact OD2-CD2 2.99Å; D59-F62 VanDerWaalsContact OD2-CE2 3.27Å; D59-F62 WeakPolarHBondContact OD2-CE2 3.32Å
60	E	93.3	Very high	93.6	Very high	67 Å²	67	65.2 Å²	65.2	31%	0.313	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-54.2	-32.5	179.1	-70.1	-64	145.9	0	0	111.9	T58 F62 K63 K68 G69	T58-E60 PolarHBondContact O-N 2.9Å; E60-F62 PolarHBondContact O-N 2.79Å; E60-F62 VanDerWaalsContact O-N 3.13Å; E60-K63 PolarHBondContact O-N 2.77Å; E60-K63 WeakPolarHBondContact OE1-CE 3.03Å; E60-K63 IonicContact OE1-NZ 2.74Å; E60-K63 PolarHBondContact OE1-NZ 3Å; E60-K68 HydrophobicContact CB-CD 4.49Å; E60-K68 PolarHBondContact O-NZ 2.87Å; E60-K68 WeakPolarHBondContact OE2-CA 3.43Å; E60-K68 WeakPolarHBondContact OE2-CD 3.32Å; E60-G69 PolarHBondContact OE1-N 2.66Å; E60-G69 VanDerWaalsContact OE1-N 3.1Å; E60-G69 PolarHBondContact OE2-N 2.97Å
61	S	93.9	Very high	94	Very high	79 Å²	79	71.5 Å²	71.5	55%	0.552	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-57.3	-29.7	-179.6	81.3	0	0	0	0	113.1	D59	D59-S61 PolarHBondContact O-N 3.09Å; D59-S61 VanDerWaalsContact O-N 3.14Å; D59-S61 VanDerWaalsContact OD1-CB 3.28Å; D59-S61 WeakPolarHBondContact OD1-CB 3.04Å; D59-S61 PolarHBondContact OD1-N 3.18Å; D59-S61 PolarHBondContact OD1-OG 3.19Å; D59-S61 VanDerWaalsContact OD1-OG 3.08Å; D59-S61 PolarHBondContact OD2-OG 2.78Å
62	F	90.7	Very high	94.2	Very high	74 Å²	74	68.1 Å²	68.1	33%	0.325	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-93.8	-8	179.4	-60.7	-63.9	0	0	0	114.1	K32 V55 D59 E60	K32-F62 HydrophobicContact CD-CB 4.47Å; K32-F62 HydrophobicContact CD-CD1 4.48Å; K32-F62 PolarHBondContact NZ-O 3.45Å; V55-F62 HydrophobicContact CB-CD1 4.41Å; V55-F62 HydrophobicContact CB-CD2 3.9Å; V55-F62 HydrophobicContact CB-CE2 4.09Å; V55-F62 HydrophobicContact CB-CG 4.09Å; V55-F62 HydrophobicContact CB-CZ 4.41Å; V55-F62 HydrophobicContact CG1-CD1 3.97Å; V55-F62 HydrophobicContact CG1-CD2 4.24Å; V55-F62 HydrophobicContact CG1-CE1 3.86Å; V55-F62 HydrophobicContact CG1-CE2 4.15Å; V55-F62 HydrophobicContact CG1-CG 4.16Å; V55-F62 HydrophobicContact CG1-CZ 3.96Å; D59-F62 HydrophobicContact CB-CD2 3.91Å; D59-F62 HydrophobicContact CB-CE2 4.33Å; D59-F62 PolarHBondContact O-N 2.96Å; D59-F62 VanDerWaalsContact O-N 3.11Å; D59-F62 WeakPolarHBondContact OD2-CD2 2.99Å; D59-F62 VanDerWaalsContact OD2-CE2 3.27Å; D59-F62 WeakPolarHBondContact OD2-CE2 3.32Å; E60-F62 PolarHBondContact O-N 2.79Å; E60-F62 VanDerWaalsContact O-N 3.13Å
63	K	93.5	Very high	94.4	Very high	13 Å²	13	63.1 Å²	63.1	6%	0.057	36%	0.357	C	S	.	.	S	Bend	trans	-80.6	133.6	-178.6	-56.9	-166.5	-171.5	169.2	0	111.8	C57 T58 E60 K68 K70 Y94	C57-K63 WeakPolarHBondContact O-CE 3.47Å; T58-K63 VanDerWaalsContact O-CE 3.24Å; T58-K63 WeakPolarHBondContact O-CE 3.33Å; T58-K63 PolarHBondContact O-NZ 3.44Å; E60-K63 PolarHBondContact O-N 2.77Å; E60-K63 WeakPolarHBondContact OE1-CE 3.03Å; E60-K63 IonicContact OE1-NZ 2.74Å; E60-K63 PolarHBondContact OE1-NZ 3Å; K63-K68 HydrophobicContact CB-CD 4.3Å; K63-K70 PolarHBondContact NZ-O 2.8Å; K63-Y94 HydrophobicContact CD-CD1 4.48Å; K63-Y94 HydrophobicContact CD-CE1 3.78Å; K63-Y94 HydrophobicContact CG-CE1 3.84Å; K63-Y94 WeakPolarHBondContact CG-OH 3.25Å
64	P	92.3	Very high	94.5	Very high	63 Å²	63	61.9 Å²	61.9	41%	0.409	35%	0.352	S	S	.	.			trans	-59.4	149.9	167.3	-16.9	28.9	0	0	0	110.7	L66 Y67 K68	P64-L66 PolarHBondContact O-N 2.89Å; P64-L66 VanDerWaalsContact O-N 3.08Å; P64-Y67 HydrophobicContact CB-CD2 4.01Å; P64-Y67 HydrophobicContact CG-CD2 3.99Å; P64-Y67 PolarHBondContact O-N 2.61Å; P64-K68 PolarHBondContact O-N 3.28Å
65	A	94.7	Very high	94.6	Very high	86 Å²	86	60.1 Å²	60.1	71%	0.711	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-51.6	-38.2	-175.2	0	0	0	0	0	113.8	Y67 K68	A65-Y67 PolarHBondContact O-N 3.18Å; A65-K68 WeakPolarHBondContact O-CG 3.02Å; A65-K68 PolarHBondContact O-N 3.3Å
66	L	95.1	Very high	94.6	Very high	149 Å²	149	60.8 Å²	60.8	78%	0.78	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-69.1	-11.9	179.6	-62.3	175.2	0	0	0	114.5	P64	P64-L66 PolarHBondContact O-N 2.89Å; P64-L66 VanDerWaalsContact O-N 3.08Å
67	Y	94.8	Very high	94.6	Very high	65 Å²	65	59.8 Å²	59.8	26%	0.255	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-119.4	10.8	-178.1	-58.7	-75.6	0	0	0	113.2	P64 A65 G69 K70 Y94	P64-Y67 HydrophobicContact CB-CD2 4.01Å; P64-Y67 HydrophobicContact CG-CD2 3.99Å; P64-Y67 PolarHBondContact O-N 2.61Å; A65-Y67 PolarHBondContact O-N 3.18Å; Y67-G69 PolarHBondContact O-N 2.82Å; Y67-K70 HydrophobicContact CD1-CD 3.84Å; Y67-K70 WeakPolarHBondContact O-CB 3.46Å; Y67-K70 PolarHBondContact O-N 2.02Å; Y67-Y94 HydrophobicContact CD1-CD2 4.48Å; Y67-Y94 HydrophobicContact CD1-CG 4.16Å; Y67-Y94 HydrophobicContact CD2-CD2 4.13Å; Y67-Y94 AromaticContact CG-CD2 3.95Å; Y67-Y94 HydrophobicContact CG-CD2 3.95Å; Y67-Y94 AromaticContact CG-CG 3.94Å; Y67-Y94 HydrophobicContact CG-CG 3.94Å
68	K	94	Very high	94.6	Very high	105 Å²	105	61.2 Å²	61.2	46%	0.457	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	135.6	171.5	-68.1	-70	-171.8	168.8	0	110.5	E60 K63 P64 A65 K70	E60-K68 HydrophobicContact CB-CD 4.49Å; E60-K68 PolarHBondContact O-NZ 2.87Å; E60-K68 WeakPolarHBondContact OE2-CA 3.43Å; E60-K68 WeakPolarHBondContact OE2-CD 3.32Å; K63-K68 HydrophobicContact CB-CD 4.3Å; P64-K68 PolarHBondContact O-N 3.28Å; A65-K68 WeakPolarHBondContact O-CG 3.02Å; A65-K68 PolarHBondContact O-N 3.3Å; K68-K70 PolarHBondContact O-N 3.46Å
69	G	92.9	Very high	94.6	Very high	65 Å²	65	60.2 Å²	60.2	67%	0.67	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	1	-176.8	0	0	0	0	0	115.3	E60 Y67	E60-G69 PolarHBondContact OE1-N 2.66Å; E60-G69 VanDerWaalsContact OE1-N 3.1Å; E60-G69 PolarHBondContact OE2-N 2.97Å; Y67-G69 PolarHBondContact O-N 2.82Å
70	K	94.6	Very high	94.5	Very high	106 Å²	106	57.4 Å²	57.4	46%	0.461	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-90.6	141.5	171.8	-65.1	-175.9	178.8	175.6	0	110.5	K63 Y67 K68	K63-K70 PolarHBondContact NZ-O 2.8Å; Y67-K70 HydrophobicContact CD1-CD 3.84Å; Y67-K70 WeakPolarHBondContact O-CB 3.46Å; Y67-K70 PolarHBondContact O-N 2.02Å; K68-K70 PolarHBondContact O-N 3.46Å
71	N	95	Very high	94.5	Very high	133 Å²	133	56.3 Å²	56.3	71%	0.711	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-74.9	140	172.3	-68.8	-27.8	0	0	0	109.7
72	P	95.7	Very high	94.2	Very high	24 Å²	24	54.3 Å²	54.3	16%	0.156	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67	146.9	172.8	32.6	-36.8	0	0	0	110.2	L28 C57 T58 A93 Y94	L28-P72 HydrophobicContact CB-CG 4.17Å; L28-P72 HydrophobicContact CD2-CB 3.67Å; L28-P72 HydrophobicContact CD2-CG 3.95Å; C57-P72 HydrophobicContact CB-CB 3.63Å; C57-P72 HydrophobicContact CB-CG 3.72Å; T58-P72 HydrophobicContact CG2-CG 4.18Å; P72-A93 CarbonylContact C-O 3.5Å; P72-A93 VanDerWaalsContact CA-O 3.29Å; P72-A93 WeakPolarHBondContact CA-O 3.3Å; P72-Y94 HydrophobicContact CB-CD1 4Å; P72-Y94 HydrophobicContact CB-CE1 3.83Å
73	V	96	Very high	93.9	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.37	33%	0.327	S	S	.	.			trans	-107.9	-8	178.8	-58.3	0	0	0	0	112.7	A93 D118	V73-A93 HydrophobicContact CG2-CB 3.86Å; V73-A93 PolarHBondContact N-O 2.75Å; V73-D118 WeakPolarHBondContact O-CB 2.95Å
74	G	96.3	Very high	93.3	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	-170.5	-179	0	0	0	0	0	113.9	L28 A93 C117	L28-G74 WeakPolarHBondContact CD2-O 3.43Å; G74-A93 PolarHBondContact N-O 2.02Å; G74-A93 WeakPolarHBondContact O-CB 3.2Å; G74-A93 PolarHBondContact O-N 2.75Å; G74-C117 CarbonylContact C-O 3.37Å; G74-C117 WeakPolarHBondContact CA-O 3.04Å
75	C	96.5	Very high	93.2	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149.4	169.1	-50.7	0	0	0	0	110.3	C30 Q116 C117 E119 N123	C30-C75 VanDerWaalsContact CA-SG 3.57Å; C30-C75 HydrophobicContact CB-CB 3.7Å; C30-C75 WeakPolarHBondContact CB-SG 3.32Å; C30-C75 WeakPolarHBondContact SG-CA 3.43Å; C30-C75 WeakPolarHBondContact SG-CB 2.99Å; C30-C75 CovalentContact SG-SG 2.02Å; C30-C75 PolarHBondContact SG-SG 3.3Å; C75-Q116 WeakPolarHBondContact O-CA 3.33Å; C75-C117 PolarHBondContact N-O 2.83Å; C75-C117 PolarHBondContact O-N 2.81Å; C75-C117 VanDerWaalsContact O-N 3.1Å; C75-E119 PolarHBondContact SG-O 3.29Å; C75-N123 HydrophobicContact CB-CB 3.53Å
76	R	96.5	Very high	93	Very high	30 Å²	30	72.7 Å²	72.7	11%	0.113	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144	179.6	-168.8	178.3	-66.8	149.3	-6	111.5	I78 R90 E91 A93 S95 I114 T115 N123	R76-I78 HydrophobicContact CG-CG1 4.03Å; R76-R90 WeakPolarHBondContact O-CA 3.46Å; R76-E91 HydrophobicContact CB-CG 3.96Å; R76-E91 WeakPolarHBondContact CD-OE1 3.5Å; R76-E91 IonicContact CZ-OE1 2.84Å; R76-E91 PolarHBondContact N-O 3.34Å; R76-E91 IonicContact NH1-OE1 3.78Å; R76-E91 PolarHBondContact NH1-OE1 3.22Å; R76-E91 PolarHBondContact O-N 2.03Å; R76-E91 VanDerWaalsContact O-N 3.07Å; R76-A93 HydrophobicContact CB-CB 4.31Å; R76-S95 PolarHBondContact NH2-O 2.81Å; R76-I114 HydrophobicContact CG-CG2 3.84Å; R76-T115 CarbonylContact C-O 3.58Å; R76-T115 WeakPolarHBondContact CA-O 3.33Å; R76-N123 PolarHBondContact O-ND2 3.04Å
77	I	96.1	Very high	92.9	Very high	18 Å²	18	70 Å²	70	9%	0.092	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.3	164.5	-51.8	175.2	0	0	0	107.2	I88 V89 R90 I114 T115 N123	I77-I88 HydrophobicContact CG2-CG2 3.7Å; I77-V89 CarbonylContact C-O 3.56Å; I77-V89 WeakPolarHBondContact CA-O 3.27Å; I77-R90 HydrophobicContact CG1-CG 4.45Å; I77-I114 WeakPolarHBondContact O-CA 3.47Å; I77-T115 PolarHBondContact N-O 2.84Å; I77-T115 PolarHBondContact O-N 3.04Å; I77-N123 HydrophobicContact CD1-CB 4.2Å; I77-N123 WeakPolarHBondContact CD1-O 3.42Å; I77-N123 HydrophobicContact CG1-CB 3.63Å
78	I	95.4	Very high	92.9	Very high	30 Å²	30	67.6 Å²	67.6	15%	0.154	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	101.7	172.1	-49.2	174.6	0	0	0	106.8	R76 T80 I88 V89 Y113 I114	R76-I78 HydrophobicContact CG-CG1 4.03Å; I78-T80 WeakPolarHBondContact CG2-OG1 3.4Å; I78-I88 WeakPolarHBondContact O-CA 3.39Å; I78-V89 HydrophobicContact CB-CB 4.26Å; I78-V89 PolarHBondContact N-O 2.84Å; I78-V89 PolarHBondContact O-N 3.41Å; I78-Y113 WeakPolarHBondContact CA-O 3.39Å; I78-I114 HydrophobicContact CG1-CG1 4.45Å; I78-I114 HydrophobicContact CG2-CG1 4.43Å
79	D	94.5	Very high	93	Very high	32 Å²	32	64 Å²	64	17%	0.171	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113	169.6	-54.2	-48.8	0	0	0	106.9	R101 S112 Y113	D79-R101 IonicContact OD2-CZ 3.22Å; D79-R101 IonicContact OD2-NH1 2.73Å; D79-R101 PolarHBondContact OD2-NH1 3.11Å; D79-S112 CarbonylContact O-C 3.56Å; D79-S112 WeakPolarHBondContact O-CA 3.47Å; D79-Y113 PolarHBondContact N-O 3.14Å; D79-Y113 PolarHBondContact O-N 3.13Å
80	T	93.6	Very high	93.1	Very high	6 Å²	6	61 Å²	61	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.9	178.5	-56.9	0	0	0	0	110.5	I78 V82 D86 R87 V110 I111 S112	I78-T80 WeakPolarHBondContact CG2-OG1 3.4Å; T80-V82 HydrophobicContact CG2-CG2 3.64Å; T80-D86 CarbonylContact O-C 3.58Å; T80-R87 PolarHBondContact N-O 2.73Å; T80-R87 WeakPolarHBondContact O-CG 3.37Å; T80-R87 PolarHBondContact O-N 3.08Å; T80-V110 HydrophobicContact CG2-CG1 3.69Å; T80-I111 CarbonylContact C-O 3.34Å; T80-I111 VanDerWaalsContact CA-O 3.31Å; T80-I111 WeakPolarHBondContact CA-O 3.31Å; T80-S112 VanDerWaalsContact CG2-OG 3.31Å; T80-S112 WeakPolarHBondContact CG2-OG 3.4Å; T80-S112 PolarHBondContact OG1-OG 3.11Å
81	T	92.1	Very high	93.2	Very high	44 Å²	44	58.4 Å²	58.4	27%	0.27	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.9	165.1	-49.1	0	0	0	0	108.5	Q85 D86 V110 I111	T81-Q85 CarbonylContact C-O 3.38Å; T81-Q85 WeakPolarHBondContact CA-O 3.45Å; T81-D86 WeakPolarHBondContact CB-OD1 3.45Å; T81-D86 WeakPolarHBondContact CG2-OD1 3.31Å; T81-D86 PolarHBondContact OG1-OD1 2.87Å; T81-V110 WeakPolarHBondContact O-CA 3.33Å; T81-I111 PolarHBondContact N-O 2.97Å; T81-I111 PolarHBondContact O-N 3.23Å; T81-I111 VanDerWaalsContact O-N 3.15Å
82	V	87.4	Confident	93.3	Very high	37 Å²	37	52.4 Å²	52.4	22%	0.224	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.7	174.3	-176.9	0	0	0	0	108.3	T80 E84 Q85 R87 V110	T80-V82 HydrophobicContact CG2-CG2 3.64Å; V82-E84 VanDerWaalsContact C-N 3.27Å; V82-E84 PolarHBondContact O-N 3.1Å; V82-Q85 PolarHBondContact N-O 3.44Å; V82-Q85 WeakPolarHBondContact O-CB 3.41Å; V82-Q85 PolarHBondContact O-N 2.86Å; V82-R87 VanDerWaalsContact CG2-CZ 3.5Å; V82-V110 HydrophobicContact CG1-CG2 4.16Å; V82-V110 HydrophobicContact CG2-CG1 4.33Å; V82-V110 HydrophobicContact CG2-CG2 4.17Å
83	M	84.4	Confident	93.4	Very high	157 Å²	157	51.2 Å²	51.2	77%	0.773	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	50.1	179.1	-61.8	-179.8	61.4	0	0	112.4	Q85	M83-Q85 PolarHBondContact O-N 2.91Å; M83-Q85 VanDerWaalsContact O-N 3.14Å
84	E	82.1	Confident	93.4	Very high	193 Å²	193	49.1 Å²	49.1	90%	0.902	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	5.4	-179.2	-52.3	173.6	176.4	0	0	115.5	V82	V82-E84 VanDerWaalsContact C-N 3.27Å; V82-E84 PolarHBondContact O-N 3.1Å
85	Q	89.1	Confident	93.3	Very high	148 Å²	148	51.3 Å²	51.3	69%	0.692	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.7	172.6	-61.6	-176.6	-34.2	0	0	110.6	T81 V82 M83	T81-Q85 CarbonylContact C-O 3.38Å; T81-Q85 WeakPolarHBondContact CA-O 3.45Å; V82-Q85 PolarHBondContact N-O 3.44Å; V82-Q85 WeakPolarHBondContact O-CB 3.41Å; V82-Q85 PolarHBondContact O-N 2.86Å; M83-Q85 PolarHBondContact O-N 2.91Å; M83-Q85 VanDerWaalsContact O-N 3.14Å
86	D	91.5	Very high	93.3	Very high	123 Å²	123	53.6 Å²	53.6	66%	0.658	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.5	174.2	-69.5	-29.2	0	0	0	110.9	T80 T81	T80-D86 CarbonylContact O-C 3.58Å; T81-D86 WeakPolarHBondContact CB-OD1 3.45Å; T81-D86 WeakPolarHBondContact CG2-OD1 3.31Å; T81-D86 PolarHBondContact OG1-OD1 2.87Å
87	R	92.8	Very high	93.3	Very high	94 Å²	94	59.7 Å²	59.7	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.1	173	65.1	-179	-175.3	-167.2	0.5	110.3	S35 A36 T80 V82	S35-R87 WeakPolarHBondContact OG-CA 3.38Å; A36-R87 HydrophobicContact CB-CB 4.49Å; T80-R87 PolarHBondContact N-O 2.73Å; T80-R87 WeakPolarHBondContact O-CG 3.37Å; T80-R87 PolarHBondContact O-N 3.08Å; V82-R87 VanDerWaalsContact CG2-CZ 3.5Å
88	I	94.5	Very high	93.2	Very high	13 Å²	13	62.9 Å²	62.9	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.5	178.8	-57.9	-176.8	0	0	0	108.2	N34 S35 D42 I77 I78 R90	N34-I88 WeakPolarHBondContact CA-O 3.41Å; S35-I88 PolarHBondContact N-O 3.41Å; S35-I88 PolarHBondContact OG-N 2.97Å; D42-I88 WeakPolarHBondContact OD1-CD1 3.25Å; I77-I88 HydrophobicContact CG2-CG2 3.7Å; I78-I88 WeakPolarHBondContact O-CA 3.39Å; I88-R90 HydrophobicContact CG2-CG 4.24Å
89	V	95.5	Very high	93.2	Very high	29 Å²	29	63.9 Å²	63.9	18%	0.176	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.3	170	-176.2	0	0	0	0	108.4	N34 I77 I78	N34-V89 HydrophobicContact CB-CG2 4.41Å; I77-V89 CarbonylContact C-O 3.56Å; I77-V89 WeakPolarHBondContact CA-O 3.27Å; I78-V89 HydrophobicContact CB-CB 4.26Å; I78-V89 PolarHBondContact N-O 2.84Å; I78-V89 PolarHBondContact O-N 3.41Å
90	R	96.1	Very high	93.2	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.8	171.7	-67.2	-173.5	-177.7	75.9	-3.4	109	Y31 K32 C33 C41 D42 R76 I77 I88 N123	Y31-R90 CarbonylContact O-C 3.58Å; Y31-R90 VanDerWaalsContact O-CB 3.23Å; Y31-R90 WeakPolarHBondContact O-CB 3.5Å; K32-R90 VanDerWaalsContact CA-O 3.28Å; K32-R90 WeakPolarHBondContact CA-O 3.34Å; C33-R90 PolarHBondContact N-O 3.26Å; C33-R90 VanDerWaalsContact N-O 3.08Å; C33-R90 PolarHBondContact O-N 2.93Å; C41-R90 PolarHBondContact O-NH1 2.74Å; C41-R90 PolarHBondContact SG-NH1 3.46Å; C41-R90 VanDerWaalsContact SG-NH1 3.41Å; D42-R90 PolarHBondContact O-NH2 2.89Å; R76-R90 WeakPolarHBondContact O-CA 3.46Å; I77-R90 HydrophobicContact CG1-CG 4.45Å; I88-R90 HydrophobicContact CG2-CG 4.24Å; R90-N123 VanDerWaalsContact CD-O 3.25Å; R90-N123 WeakPolarHBondContact CD-O 3.47Å; R90-N123 PolarHBondContact NE-O 2.83Å
91	E	96.7	Very high	93.1	Very high	53 Å²	53	73.5 Å²	73.5	25%	0.248	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	165.5	-178.9	63	177.6	-161	0	0	112	Y31 R76	Y31-E91 PolarHBondContact O-N 3.36Å; R76-E91 HydrophobicContact CB-CG 3.96Å; R76-E91 WeakPolarHBondContact CD-OE1 3.5Å; R76-E91 IonicContact CZ-OE1 2.84Å; R76-E91 PolarHBondContact N-O 3.34Å; R76-E91 IonicContact NH1-OE1 3.78Å; R76-E91 PolarHBondContact NH1-OE1 3.22Å; R76-E91 PolarHBondContact O-N 2.03Å; R76-E91 VanDerWaalsContact O-N 3.07Å
92	C	97.1	Very high	93.3	Very high	6 Å²	6	74.3 Å²	74.3	4%	0.041	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137	164.2	-56.9	0	0	0	0	109.8	C57 Y94	C57-C92 WeakPolarHBondContact CA-SG 3.3Å; C57-C92 HydrophobicContact CB-CB 3.64Å; C57-C92 WeakPolarHBondContact CB-SG 3.24Å; C57-C92 WeakPolarHBondContact SG-CB 3.28Å; C57-C92 CovalentContact SG-SG 2.03Å; C57-C92 PolarHBondContact SG-SG 3.19Å; C92-Y94 HydrophobicContact CB-CE1 4.45Å; C92-Y94 HydrophobicContact CB-CE2 3.74Å; C92-Y94 VanDerWaalsContact CB-OH 3.32Å; C92-Y94 WeakPolarHBondContact CB-OH 3.23Å; C92-Y94 WeakPolarHBondContact O-CE2 3.46Å
93	A	96.9	Very high	93.6	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136	170.9	0	0	0	0	0	110.4	P72 V73 G74 R76 Q116	P72-A93 CarbonylContact C-O 3.5Å; P72-A93 VanDerWaalsContact CA-O 3.29Å; P72-A93 WeakPolarHBondContact CA-O 3.3Å; V73-A93 HydrophobicContact CG2-CB 3.86Å; V73-A93 PolarHBondContact N-O 2.75Å; G74-A93 PolarHBondContact N-O 2.02Å; G74-A93 WeakPolarHBondContact O-CB 3.2Å; G74-A93 PolarHBondContact O-N 2.75Å; R76-A93 HydrophobicContact CB-CB 4.31Å; A93-Q116 VanDerWaalsContact CB-CD 3.47Å; A93-Q116 HydrophobicContact CB-CG 4.03Å
94	Y	96.1	Very high	94	Very high	17 Å²	17	75.4 Å²	75.4	7%	0.067	37%	0.374	C	S	.	.			trans	-121.7	9.5	175.4	-56.4	-82.5	0	0	0	112.2	C57 K63 Y67 P72 C92	C57-Y94 PolarHBondContact O-OH 2.84Å; K63-Y94 HydrophobicContact CD-CD1 4.48Å; K63-Y94 HydrophobicContact CD-CE1 3.78Å; K63-Y94 HydrophobicContact CG-CE1 3.84Å; K63-Y94 WeakPolarHBondContact CG-OH 3.25Å; Y67-Y94 HydrophobicContact CD1-CD2 4.48Å; Y67-Y94 HydrophobicContact CD1-CG 4.16Å; Y67-Y94 HydrophobicContact CD2-CD2 4.13Å; Y67-Y94 AromaticContact CG-CD2 3.95Å; Y67-Y94 HydrophobicContact CG-CD2 3.95Å; Y67-Y94 AromaticContact CG-CG 3.94Å; Y67-Y94 HydrophobicContact CG-CG 3.94Å; P72-Y94 HydrophobicContact CB-CD1 4Å; P72-Y94 HydrophobicContact CB-CE1 3.83Å; C92-Y94 HydrophobicContact CB-CE1 4.45Å; C92-Y94 HydrophobicContact CB-CE2 3.74Å; C92-Y94 VanDerWaalsContact CB-OH 3.32Å; C92-Y94 WeakPolarHBondContact CB-OH 3.23Å; C92-Y94 WeakPolarHBondContact O-CE2 3.46Å
95	S	95.5	Very high	94.4	Very high	46 Å²	46	70.1 Å²	70.1	32%	0.322	36%	0.364	S	S	.	.	S	Bend	trans	-161	163.8	-177.5	60	0	0	0	0	110.6	R76 Q116	R76-S95 PolarHBondContact NH2-O 2.81Å; S95-Q116 PolarHBondContact O-NE2 3.07Å; S95-Q116 PolarHBondContact O-OE1 2.77Å
96	G	95.4	Very high	94.2	Very high	48 Å²	48	65.1 Å²	65.1	50%	0.495	35%	0.352	S	S	.	.	S	Bend	trans	82.2	-178.3	179.1	0	0	0	0	0	113.6	Q116	G96-Q116 PolarHBondContact O-NE2 3.48Å
97	H	95.7	Very high	94	Very high	158 Å²	158	66 Å²	66	73%	0.731	36%	0.357	S	S	*	.			trans	-115.1	169.4	179.9	-58.1	-64.6	0	0	0	110.5	V99 Q116	H97-V99 PolarHBondContact O-N 3.2Å; H97-Q116 PolarHBondContact O-NE2 2.98Å
98	N	95.6	Very high	93.6	Very high	85 Å²	85	71.3 Å²	71.3	46%	0.455	38%	0.383	S	S	.	.			trans	-59.3	126.4	171.2	-70.6	-4.6	0	0	0	109.7	Q116 C117 D118	N98-Q116 CarbonylContact C-O 3.59Å; N98-Q116 VanDerWaalsContact CA-O 3.26Å; N98-Q116 WeakPolarHBondContact CA-O 3.37Å; N98-C117 WeakPolarHBondContact OD1-CA 3.48Å; N98-D118 PolarHBondContact ND2-OD1 3.13Å; N98-D118 PolarHBondContact OD1-N 3.39Å
99	V	95.4	Very high	93.1	Very high	51 Å²	51	73.4 Å²	73.4	31%	0.309	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.9	-178.6	-68.9	0	0	0	0	109.5	H97 V102 I114 T115 Q116	H97-V99 PolarHBondContact O-N 3.2Å; V99-V102 HydrophobicContact CB-CG2 3.72Å; V99-V102 HydrophobicContact CG1-CG2 4.05Å; V99-V102 HydrophobicContact CG2-CG2 4.28Å; V99-I114 HydrophobicContact CG2-CG2 4.28Å; V99-T115 CarbonylContact O-C 3.54Å; V99-T115 VanDerWaalsContact O-CA 3.32Å; V99-T115 WeakPolarHBondContact O-CA 3.46Å; V99-Q116 HydrophobicContact CG2-CB 3.95Å; V99-Q116 PolarHBondContact N-O 2.81Å; V99-Q116 PolarHBondContact O-N 3.3Å
100	Q	93.7	Very high	92.9	Very high	111 Å²	111	73.8 Å²	73.8	52%	0.519	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.9	177.2	-169.4	65.7	44.9	0	0	109.4	V102	Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 2.77Å
101	R	92.6	Very high	92.7	Very high	129 Å²	129	76.5 Å²	76.5	49%	0.487	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.1	46.6	175.5	-59.3	-170.5	67	74.7	4.5	114.6	D79 K103 Y113 I114 T115	D79-R101 IonicContact OD2-CZ 3.22Å; D79-R101 IonicContact OD2-NH1 2.73Å; D79-R101 PolarHBondContact OD2-NH1 3.11Å; R101-K103 PolarHBondContact O-N 2.96Å; R101-Y113 HydrophobicContact CB-CD1 4.46Å; R101-I114 CarbonylContact C-O 3.53Å; R101-I114 WeakPolarHBondContact CA-O 3.11Å; R101-I114 PolarHBondContact N-O 3.24Å; R101-T115 PolarHBondContact N-OG1 3.07Å; R101-T115 VanDerWaalsContact N-OG1 3.15Å
102	V	94.9	Very high	92.6	Very high	61 Å²	61	74.9 Å²	74.9	37%	0.37	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.3	173.3	171.6	0	0	0	0	109.3	V99 Q100 H104 Y113 I114	V99-V102 HydrophobicContact CB-CG2 3.72Å; V99-V102 HydrophobicContact CG1-CG2 4.05Å; V99-V102 HydrophobicContact CG2-CG2 4.28Å; Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 2.77Å; V102-H104 PolarHBondContact O-CD2 2.82Å; V102-Y113 CarbonylContact O-C 3.59Å; V102-Y113 WeakPolarHBondContact O-CA 3.37Å; V102-I114 PolarHBondContact N-O 3.26Å; V102-I114 PolarHBondContact O-N 2.64Å
103	K	94.9	Very high	92.5	Very high	122 Å²	122	77.9 Å²	77.9	53%	0.53	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.8	-178.7	-173.1	179.6	178.9	180	0	111.3	R101 I111 S112 Y113	R101-K103 PolarHBondContact O-N 2.96Å; K103-I111 HydrophobicContact CD-CG2 4.49Å; K103-I111 HydrophobicContact CG-CG2 4.14Å; K103-S112 CarbonylContact C-O 3.54Å; K103-S112 WeakPolarHBondContact CA-O 3.31Å; K103-Y113 HydrophobicContact CB-CD1 4.07Å; K103-Y113 HydrophobicContact CB-CE1 3.81Å; K103-Y113 HydrophobicContact CD-CE1 4.31Å; K103-Y113 HydrophobicContact CG-CD1 4.47Å; K103-Y113 HydrophobicContact CG-CE1 3.95Å
104	H	92.5	Very high	92.5	Very high	94 Å²	94	79.3 Å²	79.3	44%	0.435	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.8	167.8	-70.2	-98.8	0	0	0	108.6	V102 S112 I114	V102-H104 PolarHBondContact O-CD2 2.82Å; H104-S112 PolarHBondContact N-O 3.47Å; H104-S112 PolarHBondContact O-N 3.08Å; H104-I114 VanDerWaalsContact CD2-CD1 3.41Å; H104-I114 WeakPolarHBondContact CD2-CD1 3.23Å; H104-I114 WeakPolarHBondContact NE2-CD1 3.27Å
105	A	89.1	Confident	92.5	Very high	83 Å²	83	79 Å²	79	69%	0.686	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.3	173.5	0	0	0	0	0	109.6
106	G	85.7	Confident	92.5	Very high	43 Å²	43	77.2 Å²	77.2	44%	0.443	42%	0.423	S	S	.	.			trans	-97.6	-167.7	170.4	0	0	0	0	0	111.8	V110	G106-V110 WeakPolarHBondContact CA-O 3.14Å; G106-V110 PolarHBondContact N-O 3.14Å
107	N	87.5	Confident	92.5	Very high	142 Å²	142	75.9 Å²	75.9	76%	0.759	41%	0.406	S	S	*	.	S	Bend	trans	-83.5	159.5	175.4	-69.4	-16.5	0	0	0	111.5	G109 V110	N107-G109 PolarHBondContact O-N 3.01Å; N107-V110 WeakPolarHBondContact O-CB 3.41Å; N107-V110 VanDerWaalsContact O-CG2 3.3Å; N107-V110 WeakPolarHBondContact O-CG2 3.48Å; N107-V110 PolarHBondContact O-N 3.43Å; N107-V110 VanDerWaalsContact O-N 3.13Å
108	K	84.8	Confident	92.4	Very high	204 Å²	204	70.8 Å²	70.8	89%	0.887	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	47	166.9	-59	-175.3	178.5	-176.5	0	114.7	V110	K108-V110 VanDerWaalsContact C-N 3.28Å; K108-V110 PolarHBondContact O-N 2.86Å
109	G	83.3	Confident	92.3	Very high	57 Å²	57	71.1 Å²	71.1	59%	0.588	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	13.4	176.4	0	0	0	0	0	114.5	N107	N107-G109 PolarHBondContact O-N 3.01Å
110	V	90.7	Very high	92.1	Very high	37 Å²	37	71.2 Å²	71.2	22%	0.224	39%	0.386	C	S	.	.			trans	-82.6	119.4	170.6	-179.7	0	0	0	0	109.5	T80 T81 V82 G106 N107 K108	T80-V110 HydrophobicContact CG2-CG1 3.69Å; T81-V110 WeakPolarHBondContact O-CA 3.33Å; V82-V110 HydrophobicContact CG1-CG2 4.16Å; V82-V110 HydrophobicContact CG2-CG1 4.33Å; V82-V110 HydrophobicContact CG2-CG2 4.17Å; G106-V110 WeakPolarHBondContact CA-O 3.14Å; G106-V110 PolarHBondContact N-O 3.14Å; N107-V110 WeakPolarHBondContact O-CB 3.41Å; N107-V110 VanDerWaalsContact O-CG2 3.3Å; N107-V110 WeakPolarHBondContact O-CG2 3.48Å; N107-V110 PolarHBondContact O-N 3.43Å; N107-V110 VanDerWaalsContact O-N 3.13Å; K108-V110 VanDerWaalsContact C-N 3.28Å; K108-V110 PolarHBondContact O-N 2.86Å
111	I	92.7	Very high	92.1	Very high	59 Å²	59	68.8 Å²	68.8	30%	0.303	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.5	171.1	-59.1	175.2	0	0	0	107.4	T80 T81 K103 Y113	T80-I111 CarbonylContact C-O 3.34Å; T80-I111 VanDerWaalsContact CA-O 3.31Å; T80-I111 WeakPolarHBondContact CA-O 3.31Å; T81-I111 PolarHBondContact N-O 2.97Å; T81-I111 PolarHBondContact O-N 3.23Å; T81-I111 VanDerWaalsContact O-N 3.15Å; K103-I111 HydrophobicContact CD-CG2 4.49Å; K103-I111 HydrophobicContact CG-CG2 4.14Å; I111-Y113 HydrophobicContact CG2-CD2 4.39Å; I111-Y113 HydrophobicContact CG2-CE2 3.74Å
112	S	94.8	Very high	92.1	Very high	19 Å²	19	63.5 Å²	63.5	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.2	172.5	-57.4	0	0	0	0	111.6	D79 T80 K103 H104	D79-S112 CarbonylContact O-C 3.56Å; D79-S112 WeakPolarHBondContact O-CA 3.47Å; T80-S112 VanDerWaalsContact CG2-OG 3.31Å; T80-S112 WeakPolarHBondContact CG2-OG 3.4Å; T80-S112 PolarHBondContact OG1-OG 3.11Å; K103-S112 CarbonylContact C-O 3.54Å; K103-S112 WeakPolarHBondContact CA-O 3.31Å; H104-S112 PolarHBondContact N-O 3.47Å; H104-S112 PolarHBondContact O-N 3.08Å
113	Y	95.2	Very high	92.1	Very high	69 Å²	69	60.6 Å²	60.6	27%	0.271	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	167.8	-63.9	-89	0	0	0	108.5	I78 D79 R101 V102 K103 I111	I78-Y113 WeakPolarHBondContact CA-O 3.39Å; D79-Y113 PolarHBondContact N-O 3.14Å; D79-Y113 PolarHBondContact O-N 3.13Å; R101-Y113 HydrophobicContact CB-CD1 4.46Å; V102-Y113 CarbonylContact O-C 3.59Å; V102-Y113 WeakPolarHBondContact O-CA 3.37Å; K103-Y113 HydrophobicContact CB-CD1 4.07Å; K103-Y113 HydrophobicContact CB-CE1 3.81Å; K103-Y113 HydrophobicContact CD-CE1 4.31Å; K103-Y113 HydrophobicContact CG-CD1 4.47Å; K103-Y113 HydrophobicContact CG-CE1 3.95Å; I111-Y113 HydrophobicContact CG2-CD2 4.39Å; I111-Y113 HydrophobicContact CG2-CE2 3.74Å
114	I	95.5	Very high	91.8	Very high	31 Å²	31	55.7 Å²	55.7	16%	0.159	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.6	178.9	-60.3	-173.4	0	0	0	109	R76 I77 I78 V99 R101 V102 H104	R76-I114 HydrophobicContact CG-CG2 3.84Å; I77-I114 WeakPolarHBondContact O-CA 3.47Å; I78-I114 HydrophobicContact CG1-CG1 4.45Å; I78-I114 HydrophobicContact CG2-CG1 4.43Å; V99-I114 HydrophobicContact CG2-CG2 4.28Å; R101-I114 CarbonylContact C-O 3.53Å; R101-I114 WeakPolarHBondContact CA-O 3.11Å; R101-I114 PolarHBondContact N-O 3.24Å; V102-I114 PolarHBondContact N-O 3.26Å; V102-I114 PolarHBondContact O-N 2.64Å; H104-I114 VanDerWaalsContact CD2-CD1 3.41Å; H104-I114 WeakPolarHBondContact CD2-CD1 3.23Å; H104-I114 WeakPolarHBondContact NE2-CD1 3.27Å
115	T	95.9	Very high	90.7	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.2	166.9	-59.4	0	0	0	0	108.3	R76 I77 V99 R101	R76-T115 CarbonylContact C-O 3.58Å; R76-T115 WeakPolarHBondContact CA-O 3.33Å; I77-T115 PolarHBondContact N-O 2.84Å; I77-T115 PolarHBondContact O-N 3.04Å; V99-T115 CarbonylContact O-C 3.54Å; V99-T115 VanDerWaalsContact O-CA 3.32Å; V99-T115 WeakPolarHBondContact O-CA 3.46Å; R101-T115 PolarHBondContact N-OG1 3.07Å; R101-T115 VanDerWaalsContact N-OG1 3.15Å
116	Q	96.5	Very high	89.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.7	179.2	-176.2	167.1	-48.6	0	0	110.2	C75 A93 S95 G96 H97 N98 V99	C75-Q116 WeakPolarHBondContact O-CA 3.33Å; A93-Q116 VanDerWaalsContact CB-CD 3.47Å; A93-Q116 HydrophobicContact CB-CG 4.03Å; S95-Q116 PolarHBondContact O-NE2 3.07Å; S95-Q116 PolarHBondContact O-OE1 2.77Å; G96-Q116 PolarHBondContact O-NE2 3.48Å; H97-Q116 PolarHBondContact O-NE2 2.98Å; N98-Q116 CarbonylContact C-O 3.59Å; N98-Q116 VanDerWaalsContact CA-O 3.26Å; N98-Q116 WeakPolarHBondContact CA-O 3.37Å; V99-Q116 HydrophobicContact CG2-CB 3.95Å; V99-Q116 PolarHBondContact N-O 2.81Å; V99-Q116 PolarHBondContact O-N 3.3Å
117	C	95.3	Very high	87.9	Confident	19 Å²	19	58.6 Å²	58.6	13%	0.128	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.3	-179.9	46.9	0	0	0	0	109.2	G74 C75 N98 C122	G74-C117 CarbonylContact C-O 3.37Å; G74-C117 WeakPolarHBondContact CA-O 3.04Å; C75-C117 PolarHBondContact N-O 2.83Å; C75-C117 PolarHBondContact O-N 2.81Å; C75-C117 VanDerWaalsContact O-N 3.1Å; N98-C117 WeakPolarHBondContact OD1-CA 3.48Å; C117-C122 VanDerWaalsContact C-SG 3.51Å; C117-C122 HydrophobicContact CB-CB 3.88Å; C117-C122 WeakPolarHBondContact CB-SG 3.4Å; C117-C122 PolarHBondContact O-SG 2.85Å; C117-C122 WeakPolarHBondContact SG-CB 3.43Å; C117-C122 PolarHBondContact SG-O 3.31Å; C117-C122 CovalentContact SG-SG 2.02Å; C117-C122 PolarHBondContact SG-SG 3.13Å
118	D	94	Very high	86.4	Confident	52 Å²	52	57.8 Å²	57.8	28%	0.278	32%	0.32	S	S	.	.	S	Bend	trans	-109.6	11.7	-169.8	67	-37.8	0	0	0	114.6	K24 V73 N98	K24-D118 IonicContact NZ-OD2 2.89Å; K24-D118 PolarHBondContact NZ-OD2 3.3Å; V73-D118 WeakPolarHBondContact O-CB 2.95Å; N98-D118 PolarHBondContact ND2-OD1 3.13Å; N98-D118 PolarHBondContact OD1-N 3.39Å
119	E	92.5	Very high	85.1	Confident	92 Å²	92	53.3 Å²	53.3	43%	0.43	31%	0.314	S	S	.	.	S	Bend	trans	-94.8	151.7	173.2	-70.1	170.8	-164.3	0	0	111.2	C75 C122	C75-E119 PolarHBondContact SG-O 3.29Å; E119-C122 HydrophobicContact CB-CB 3.86Å; E119-C122 WeakPolarHBondContact O-CB 3.43Å; E119-C122 PolarHBondContact O-SG 3.31Å
120	S	92.8	Very high	83.7	Confident	52 Å²	52	56.5 Å²	56.5	36%	0.364	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	142	171.2	-73.7	0	0	0	0	110.7	K29 C122	K29-S120 PolarHBondContact N-OG 3.17Å; K29-S120 CarbonylContact O-C 3.52Å; K29-S120 WeakPolarHBondContact O-CA 3.28Å; S120-C122 PolarHBondContact O-N 2.79Å
121	E	92.7	Very high	82.2	Confident	61 Å²	61	60.4 Å²	60.4	29%	0.285	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	11.1	175.5	-62	176.2	-145.8	0	0	114.7	K29 Y31 L54 N123 T124	K29-E121 PolarHBondContact O-N 3.37Å; Y31-E121 HydrophobicContact CE2-CB 3.94Å; Y31-E121 HydrophobicContact CE2-CG 4.05Å; L54-E121 HydrophobicContact CD1-CG 3.6Å; L54-E121 HydrophobicContact CD2-CG 4.46Å; E121-N123 PolarHBondContact O-N 3.05Å; E121-T124 WeakPolarHBondContact O-CG2 3.36Å; E121-T124 PolarHBondContact O-N 3.41Å; E121-T124 PolarHBondContact O-OG1 2.02Å
122	C	92.6	Very high	80.6	Confident	18 Å²	18	60.9 Å²	60.9	12%	0.122	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.6	-176.9	75.2	0	0	0	0	113.2	C117 E119 S120 T124	C117-C122 VanDerWaalsContact C-SG 3.51Å; C117-C122 HydrophobicContact CB-CB 3.88Å; C117-C122 WeakPolarHBondContact CB-SG 3.4Å; C117-C122 PolarHBondContact O-SG 2.85Å; C117-C122 WeakPolarHBondContact SG-CB 3.43Å; C117-C122 PolarHBondContact SG-O 3.31Å; C117-C122 CovalentContact SG-SG 2.02Å; C117-C122 PolarHBondContact SG-SG 3.13Å; E119-C122 HydrophobicContact CB-CB 3.86Å; E119-C122 WeakPolarHBondContact O-CB 3.43Å; E119-C122 PolarHBondContact O-SG 3.31Å; S120-C122 PolarHBondContact O-N 2.79Å; C122-T124 PolarHBondContact O-N 2.61Å
123	N	94.3	Very high	78.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	16.3	172.9	70.3	-18.8	0	0	0	113.7	Y31 C75 R76 I77 R90 E121	Y31-N123 WeakPolarHBondContact CD2-OD1 3.29Å; Y31-N123 PolarHBondContact N-OD1 3.34Å; Y31-N123 PolarHBondContact O-ND2 3.08Å; C75-N123 HydrophobicContact CB-CB 3.53Å; R76-N123 PolarHBondContact O-ND2 3.04Å; I77-N123 HydrophobicContact CD1-CB 4.2Å; I77-N123 WeakPolarHBondContact CD1-O 3.42Å; I77-N123 HydrophobicContact CG1-CB 3.63Å; R90-N123 VanDerWaalsContact CD-O 3.25Å; R90-N123 WeakPolarHBondContact CD-O 3.47Å; R90-N123 PolarHBondContact NE-O 2.83Å; E121-N123 PolarHBondContact O-N 3.05Å
124	T	88.3	Confident	77.1	Confident	18 Å²	18	63 Å²	63	11%	0.11	38%	0.384	C	S	.	.	S	Bend	trans	-67.4	144.2	155.7	51.5	0	0	0	0	108.8	Y31 L45 K47 E121 C122 K126	Y31-T124 HydrophobicContact CD2-CG2 3.71Å; Y31-T124 HydrophobicContact CE2-CG2 3.18Å; L45-T124 HydrophobicContact CD2-CG2 3.95Å; K47-T124 HydrophobicContact CD-CG2 4.26Å; K47-T124 HydrophobicContact CG-CG2 3.9Å; E121-T124 WeakPolarHBondContact O-CG2 3.36Å; E121-T124 PolarHBondContact O-N 3.41Å; E121-T124 PolarHBondContact O-OG1 2.02Å; C122-T124 PolarHBondContact O-N 2.61Å; T124-K126 PolarHBondContact O-N 3.08Å
125	A	70.1	Confident	75.4	Confident	26 Å²	26	64.5 Å²	64.5	22%	0.215	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-54.2	120.3	176.2	0	0	0	0	0	108.1	S43 P44	S43-A125 VanDerWaalsContact OG-CB 3.3Å; S43-A125 WeakPolarHBondContact OG-CB 3.36Å; P44-A125 HydrophobicContact CB-CB 4.32Å
126	K	62.9	Low	73.7	Confident	139 Å²	139	68.6 Å²	68.6	60%	0.604	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-59.4	128.3	170.7	-68.9	-169.8	178.5	-173.9	0	105.9	T124 V128	T124-K126 PolarHBondContact O-N 3.08Å; K126-V128 PolarHBondContact O-N 2.94Å; K126-V128 VanDerWaalsContact O-N 3.14Å
127	P	54.1	Low	72.1	Confident	116 Å²	116	73.5 Å²	73.5	75%	0.753	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-52	130.7	171.5	22.5	-30.6	0	0	0	106.4	S129	P127-S129 PolarHBondContact O-N 2.88Å
128	V	56.5	Low	70.7	Confident	126 Å²	126	75.4 Å²	75.4	76%	0.764	46%	0.46	S	S	*	.			trans	-43.2	121	169.4	176.5	0	0	0	0	104.9	K126 V130	K126-V128 PolarHBondContact O-N 2.94Å; K126-V128 VanDerWaalsContact O-N 3.14Å; V128-V130 VanDerWaalsContact O-CG2 3.31Å; V128-V130 WeakPolarHBondContact O-CG2 3.33Å; V128-V130 PolarHBondContact O-N 2.91Å
129	S	55.9	Low	69.3	Low	109 Å²	109	76.5 Å²	76.5	76%	0.762	47%	0.47	S	S	*	.			trans	-57.8	95.9	-177.2	-156.5	0	0	0	0	105.9	P127 V131	P127-S129 PolarHBondContact O-N 2.88Å; S129-V131 PolarHBondContact O-N 3.39Å
130	V	55.5	Low	68.4	Low	125 Å²	125	75.7 Å²	75.7	76%	0.758	47%	0.471	S	S	*	.			trans	-71.3	97.9	177.1	-171.8	0	0	0	0	101.4	V128 S132	V128-V130 VanDerWaalsContact O-CG2 3.31Å; V128-V130 WeakPolarHBondContact O-CG2 3.33Å; V128-V130 PolarHBondContact O-N 2.91Å; V130-S132 PolarHBondContact O-N 2.81Å
131	V	57.7	Low	67.7	Low	118 Å²	118	76.8 Å²	76.8	72%	0.715	48%	0.475	S	S	*	.			trans	-52.9	104.4	167	178	0	0	0	0	104	S129 A133	S129-V131 PolarHBondContact O-N 3.39Å; V131-A133 PolarHBondContact O-N 2.85Å; V131-A133 VanDerWaalsContact O-N 3.09Å
132	S	59.4	Low	66.9	Low	70 Å²	70	76.1 Å²	76.1	49%	0.49	48%	0.475	S	S	.	.			trans	-59.7	122.5	-172.7	56	0	0	0	0	106.3	V130 S134 A135	V130-S132 PolarHBondContact O-N 2.81Å; S132-S134 WeakPolarHBondContact CB-OG 3.4Å; S132-S134 PolarHBondContact O-N 3.16Å; S132-S134 PolarHBondContact OG-OG 2.62Å; S132-A135 PolarHBondContact O-N 3.24Å
133	A	56.7	Low	66.3	Low	73 Å²	73	77.6 Å²	77.6	60%	0.603	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.7	-178.2	0	0	0	0	0	112.7	V131 A135 V136 L137	V131-A133 PolarHBondContact O-N 2.85Å; V131-A133 VanDerWaalsContact O-N 3.09Å; A133-A135 PolarHBondContact O-N 3.19Å; A133-V136 PolarHBondContact O-N 3.15Å; A133-V136 VanDerWaalsContact O-N 3.11Å; A133-L137 PolarHBondContact O-N 2.82Å
134	S	60.4	Low	65.7	Low	59 Å²	59	82.3 Å²	82.3	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-53.9	-29.9	168	37.5	0	0	0	0	114.6	S132 V136 L137 I138	S132-S134 WeakPolarHBondContact CB-OG 3.4Å; S132-S134 PolarHBondContact O-N 3.16Å; S132-S134 PolarHBondContact OG-OG 2.62Å; S134-V136 PolarHBondContact O-N 3.03Å; S134-L137 PolarHBondContact O-N 3.33Å; S134-I138 WeakPolarHBondContact O-CG1 3.3Å; S134-I138 PolarHBondContact O-N 3.14Å
135	A	59.5	Low	65.3	Low	62 Å²	62	85.4 Å²	85.4	51%	0.512	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-26.2	176.4	0	0	0	0	0	112.7	S132 A133 P139	S132-A135 PolarHBondContact O-N 3.24Å; A133-A135 PolarHBondContact O-N 3.19Å; A135-P139 VanDerWaalsContact O-CD 3.24Å; A135-P139 WeakPolarHBondContact O-CD 3.42Å
136	V	61.4	Low	65.7	Low	98 Å²	98	91 Å²	91	59%	0.594	55%	0.553	S	S	*	*	H	α-helix	trans	-92.7	-32.2	179	-173.9	0	0	0	0	111.8	A133 S134 P139 V140	A133-V136 PolarHBondContact O-N 3.15Å; A133-V136 VanDerWaalsContact O-N 3.11Å; S134-V136 PolarHBondContact O-N 3.03Å; V136-P139 VanDerWaalsContact O-CD 3.29Å; V136-P139 WeakPolarHBondContact O-CD 3.28Å; V136-P139 WeakPolarHBondContact O-CG 3.45Å; V136-V140 WeakPolarHBondContact O-CG2 3.34Å
137	L	61.3	Low	66.2	Low	110 Å²	110	95.1 Å²	95.1	58%	0.576	57%	0.565	S	S	*	*	H	α-helix	trans	-69.5	-35	-177.8	-70.9	171.3	0	0	0	113	A133 S134 V140 V141	A133-L137 PolarHBondContact O-N 2.82Å; S134-L137 PolarHBondContact O-N 3.33Å; L137-V140 PolarHBondContact O-N 2.74Å; L137-V141 WeakPolarHBondContact O-CG2 3.33Å; L137-V141 PolarHBondContact O-N 3.13Å
138	I	66.4	Low	66.7	Low	59 Å²	59	102 Å²	102	30%	0.303	58%	0.578	S	S	.	*	H	α-helix	trans	-60.4	-52.5	-179.5	-63.2	167.6	0	0	0	112.3	L8 I11 S134 V140 V141 V142	L8-I138 HydrophobicContact CD2-CG2 4.35Å; I11-I138 HydrophobicContact CG2-CD1 4.17Å; S134-I138 WeakPolarHBondContact O-CG1 3.3Å; S134-I138 PolarHBondContact O-N 3.14Å; I138-V140 VanDerWaalsContact C-N 3.3Å; I138-V140 PolarHBondContact O-N 3.27Å; I138-V141 PolarHBondContact O-N 2.95Å; I138-V142 HydrophobicContact CG2-CG2 4.42Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.49Å; I138-V142 PolarHBondContact O-N 3.36Å
139	P	64.7	Low	67.2	Low	76 Å²	76	100.8 Å²	100.8	49%	0.494	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-31.4	179	21.2	-30.8	0	0	0	113.1	A135 V136 A143	A135-P139 VanDerWaalsContact O-CD 3.24Å; A135-P139 WeakPolarHBondContact O-CD 3.42Å; V136-P139 VanDerWaalsContact O-CD 3.29Å; V136-P139 WeakPolarHBondContact O-CD 3.28Å; V136-P139 WeakPolarHBondContact O-CG 3.45Å; P139-A143 VanDerWaalsContact O-CB 3.27Å; P139-A143 WeakPolarHBondContact O-CB 3.26Å; P139-A143 PolarHBondContact O-N 3.12Å
140	V	74.5	Confident	67.8	Low	74 Å²	74	100.4 Å²	100.4	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-46.5	175.9	175.7	0	0	0	0	111.1	V136 L137 I138 A143 I144	V136-V140 WeakPolarHBondContact O-CG2 3.34Å; L137-V140 PolarHBondContact O-N 2.74Å; I138-V140 VanDerWaalsContact C-N 3.3Å; I138-V140 PolarHBondContact O-N 3.27Å; V140-A143 PolarHBondContact O-N 3.06Å; V140-I144 HydrophobicContact CG1-CD1 3.94Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 3.09Å
141	V	76.2	Confident	68.5	Low	75 Å²	75	99 Å²	99	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-42.8	177.6	173.5	0	0	0	0	110.9	L137 I138 A143 I144 I145	L137-V141 WeakPolarHBondContact O-CG2 3.33Å; L137-V141 PolarHBondContact O-N 3.13Å; I138-V141 PolarHBondContact O-N 2.95Å; V141-A143 VanDerWaalsContact C-N 3.35Å; V141-A143 PolarHBondContact O-N 2.84Å; V141-I144 PolarHBondContact O-N 2.85Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.46Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 2.99Å
142	V	77.4	Confident	69.1	Low	48 Å²	48	97.9 Å²	97.9	29%	0.291	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-41.4	175.8	173.3	0	0	0	0	111.4	L8 I138 I145 L146	L8-V142 HydrophobicContact CD1-CG2 3.84Å; L8-V142 HydrophobicContact CD2-CG2 4.4Å; I138-V142 HydrophobicContact CG2-CG2 4.42Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.49Å; I138-V142 PolarHBondContact O-N 3.36Å; V142-I145 PolarHBondContact O-N 3.14Å; V142-L146 HydrophobicContact CG1-CD1 3.8Å; V142-L146 HydrophobicContact CG1-CG 4.3Å; V142-L146 WeakPolarHBondContact O-CB 3.13Å; V142-L146 WeakPolarHBondContact O-CG 3.24Å; V142-L146 PolarHBondContact O-N 2.93Å
143	A	78.6	Confident	69.7	Low	48 Å²	48	99.6 Å²	99.6	40%	0.397	54%	0.54	S	S	.	.	H	α-helix	trans	-66.2	-36	177.5	0	0	0	0	0	113.2	P139 V140 V141 R147	P139-A143 VanDerWaalsContact O-CB 3.27Å; P139-A143 WeakPolarHBondContact O-CB 3.26Å; P139-A143 PolarHBondContact O-N 3.12Å; V140-A143 PolarHBondContact O-N 3.06Å; V141-A143 VanDerWaalsContact C-N 3.35Å; V141-A143 PolarHBondContact O-N 2.84Å; A143-R147 WeakPolarHBondContact O-CG 3.42Å; A143-R147 PolarHBondContact O-N 3.25Å
144	I	82.5	Confident	70.6	Confident	100 Å²	100	101.4 Å²	101.4	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-68.2	-42.8	175.4	-67.6	166.3	0	0	0	110.3	V140 V141 R147	V140-I144 HydrophobicContact CG1-CD1 3.94Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 3.09Å; V141-I144 PolarHBondContact O-N 2.85Å; I144-R147 PolarHBondContact O-N 2.99Å
145	I	79.7	Confident	71.3	Confident	83 Å²	83	104.4 Å²	104.4	43%	0.426	55%	0.545	S	S	.	.	H	α-helix	trans	-68.4	-39.1	-180	-65.6	168.3	0	0	0	111.6	V141 V142 R147 Y148	V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.46Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 2.99Å; V142-I145 PolarHBondContact O-N 3.14Å; I145-R147 PolarHBondContact O-N 2.87Å; I145-Y148 PolarHBondContact O-N 3.14Å
146	L	79.4	Confident	72.2	Confident	142 Å²	142	107.7 Å²	107.7	74%	0.743	55%	0.547	S	S	*	.	H	α-helix	trans	-72.1	-13.1	179.4	-71.8	173.8	0	0	0	114.2	V142	V142-L146 HydrophobicContact CG1-CD1 3.8Å; V142-L146 HydrophobicContact CG1-CG 4.3Å; V142-L146 WeakPolarHBondContact O-CB 3.13Å; V142-L146 WeakPolarHBondContact O-CG 3.24Å; V142-L146 PolarHBondContact O-N 2.93Å
147	R	73.5	Confident	73.1	Confident	227 Å²	227	108.5 Å²	108.5	86%	0.857	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.2	175.7	-77.6	-175.9	177.5	-161.1	1.1	113.6	A143 I144 I145	A143-R147 WeakPolarHBondContact O-CG 3.42Å; A143-R147 PolarHBondContact O-N 3.25Å; I144-R147 PolarHBondContact O-N 2.99Å; I145-R147 PolarHBondContact O-N 2.87Å
148	Y	63.4	Low	74.2	Confident	260 Å²	260	108.4 Å²	108.4	100%	1.02	54%	0.54	S	S	*	.			trans	-108.5	0	176.6	-88.1	-82.9	0	0	0	110.7	I145	I145-Y148 PolarHBondContact O-N 3.14Å

Retrieved 148 of 148 residues in 66.4 ms (Link to these results)

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