A0A077Z8V3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8V3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 aa.

						>A0A077Z8V3_TRITR|A0A077Z8V3
MFSRCVNLLVIPGQVSAIFFRGIYKKRFYRGIYLTDSMMARKDDVLVRMRNLDYVPGVNVSYSKEGYDRVLRAMCDGIVTITTEAVQLDLDHFGMTQFYEWRKDVPMRKLCFNVIPKSPSRTFRLVEEI
					

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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	34.8	Very low	40.2	Very low	233 Å²	233	154.5 Å²	154.5	100%	1.148	81%	0.805	S	S	*	*				0	81.7	0	-81.9	178.7	168.2	0	0	108.1
2	F	34.2	Very low	40.9	Very low	216 Å²	216	151.9 Å²	151.9	95%	0.947	81%	0.805	S	S	*	*			trans	-68.6	131.5	163.7	-73.7	-95	0	0	0	107.7
3	S	37.6	Very low	42.1	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	81%	0.81	S	S	*	*			trans	-169.8	109.6	151	-164.3	0	0	0	0	108.2
4	R	38.5	Very low	41.7	Very low	226 Å²	226	147.1 Å²	147.1	85%	0.853	80%	0.803	S	S	*	*				163.8	101.9	124.8	-85.9	172.7	-175.6	-157.5	0.4	109.3
5	C	36.4	Very low	41.5	Very low	114 Å²	114	147.5 Å²	147.5	77%	0.77	81%	0.811	S	S	*	*			trans	42.5	106.1	135.1	-45.2	0	0	0	0	117
6	V	42.9	Very low	41	Very low	103 Å²	103	143.4 Å²	143.4	62%	0.624	80%	0.797	S	S	*	*			trans	-118.4	110.8	145	-175	0	0	0	0	106.4	L8 F20	V6-L8 PolarHBondContact O-N 3.32Å; V6-F20 HydrophobicContact CB-CZ 4.26Å; V6-F20 HydrophobicContact CG1-CZ 4.07Å; V6-F20 HydrophobicContact CG2-CE1 4.14Å; V6-F20 HydrophobicContact CG2-CZ 3.98Å
7	N	41.7	Very low	41	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	79%	0.787	S	S	*	*			trans	-63.4	116	170.5	-76.6	-19.8	0	0	0	108.1	L9	N7-L9 PolarHBondContact O-N 3.46Å
8	L	40.8	Very low	41.4	Very low	150 Å²	150	138.5 Å²	138.5	79%	0.785	78%	0.778	S	S	*	*			trans	-75.4	98.8	167.4	-85	149.3	0	0	0	108	V6 V10	V6-L8 PolarHBondContact O-N 3.32Å; L8-V10 HydrophobicContact CB-CG2 4.24Å; L8-V10 PolarHBondContact O-N 2.9Å
9	L	40.3	Very low	41.1	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	78%	0.779	S	S	*	*			trans	-77.4	94.7	157.3	-83.5	164.1	0	0	0	107.1	N7 I11	N7-L9 PolarHBondContact O-N 3.46Å; L9-I11 PolarHBondContact O-N 3.31Å
10	V	44.7	Very low	41.6	Very low	116 Å²	116	141.4 Å²	141.4	70%	0.703	77%	0.773	S	S	*	*			trans	-79.4	102.1	171	179.9	0	0	0	0	107.3	L8	L8-V10 HydrophobicContact CB-CG2 4.24Å; L8-V10 PolarHBondContact O-N 2.9Å
11	I	49.9	Very low	41.5	Very low	124 Å²	124	145.4 Å²	145.4	64%	0.636	78%	0.777	S	S	*	*			trans	-83.8	118.1	162.8	-59.7	175.7	0	0	0	106.3	L9 G13	L9-I11 PolarHBondContact O-N 3.31Å; I11-G13 PolarHBondContact O-N 3.23Å
12	P	49.2	Very low	42.2	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	125.2	176.6	26.9	-31.6	0	0	0	109.4
13	G	55.8	Low	43.3	Very low	85 Å²	85	133.8 Å²	133.8	88%	0.876	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.1	-3.7	169.8	0	0	0	0	0	117	I11	I11-G13 PolarHBondContact O-N 3.23Å
14	Q	37.8	Very low	44.1	Very low	151 Å²	151	139.6 Å²	139.6	71%	0.706	75%	0.747	S	S	*	*			trans	-123.3	108.7	169.8	-103.4	-172.7	-27.3	0	0	110.5	S16	Q14-S16 PolarHBondContact O-N 2.85Å
15	V	38.2	Very low	45.1	Very low	153 Å²	153	137.5 Å²	137.5	93%	0.927	74%	0.744	S	S	*	*			trans	-73.5	79.4	165.5	-172.9	0	0	0	0	107.2	A17	V15-A17 PolarHBondContact O-N 2.89Å
16	S	33.2	Very low	46.6	Very low	83 Å²	83	140.9 Å²	140.9	58%	0.58	75%	0.746	S	S	*	*			trans	-83.2	107.6	164.2	57	0	0	0	0	107.3	Q14 I18	Q14-S16 PolarHBondContact O-N 2.85Å; S16-I18 PolarHBondContact O-N 3.25Å
17	A	41.6	Very low	47.9	Very low	77 Å²	77	143.9 Å²	143.9	64%	0.636	75%	0.746	S	S	*	*			trans	-64.5	91.6	165.6	0	0	0	0	0	107.8	V15 F19	V15-A17 PolarHBondContact O-N 2.89Å; A17-F19 VanDerWaalsContact C-N 3.25Å; A17-F19 HydrophobicContact CB-CD2 4.37Å; A17-F19 HydrophobicContact CB-CE2 4.36Å; A17-F19 PolarHBondContact O-N 3.25Å
18	I	47	Very low	49.8	Very low	121 Å²	121	142 Å²	142	62%	0.621	73%	0.731	S	S	*	*			trans	-68.6	93.3	168	-57.5	174.1	0	0	0	106	S16 F20	S16-I18 PolarHBondContact O-N 3.25Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 HydrophobicContact CG2-CD2 4.1Å; I18-F20 HydrophobicContact CG2-CE2 4.13Å; I18-F20 PolarHBondContact O-N 2.91Å
19	F	37.2	Very low	52	Low	181 Å²	181	143.1 Å²	143.1	79%	0.794	73%	0.726	S	S	*	*			trans	-62.8	98	163.8	-88.2	-93.6	0	0	0	107.2	A17 R21	A17-F19 VanDerWaalsContact C-N 3.25Å; A17-F19 HydrophobicContact CB-CD2 4.37Å; A17-F19 HydrophobicContact CB-CE2 4.36Å; A17-F19 PolarHBondContact O-N 3.25Å; F19-R21 PolarHBondContact O-N 2.76Å
20	F	51	Low	54.4	Low	153 Å²	153	138.3 Å²	138.3	67%	0.671	70%	0.696	S	S	*	*			trans	-63.9	82	156.6	-86.9	-87.8	0	0	0	107.2	V6 I18 G22	V6-F20 HydrophobicContact CB-CZ 4.26Å; V6-F20 HydrophobicContact CG1-CZ 4.07Å; V6-F20 HydrophobicContact CG2-CE1 4.14Å; V6-F20 HydrophobicContact CG2-CZ 3.98Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 HydrophobicContact CG2-CD2 4.1Å; I18-F20 HydrophobicContact CG2-CE2 4.13Å; I18-F20 PolarHBondContact O-N 2.91Å; F20-G22 PolarHBondContact O-N 2.8Å
21	R	38.9	Very low	56.8	Low	227 Å²	227	133.9 Å²	133.9	86%	0.857	67%	0.674	S	S	*	*			trans	-60.5	91.2	156.2	-100	-178.2	160.8	172.1	-4	105.3	F19 I23	F19-R21 PolarHBondContact O-N 2.76Å; R21-I23 PolarHBondContact O-N 2.94Å
22	G	50.4	Low	59	Low	50 Å²	50	130.9 Å²	130.9	52%	0.515	66%	0.658	S	S	.	*			trans	-49.2	113.5	165.7	0	0	0	0	0	106.4	F20 Y24	F20-G22 PolarHBondContact O-N 2.8Å; G22-Y24 VanDerWaalsContact O-CD2 3.32Å; G22-Y24 WeakPolarHBondContact O-CD2 3.32Å; G22-Y24 PolarHBondContact O-N 2.73Å
23	I	57.2	Low	61.2	Low	154 Å²	154	129 Å²	129	79%	0.79	64%	0.636	S	S	*	*			trans	-62.3	98.9	172.1	-62	171.6	0	0	0	104.2	R21 K25	R21-I23 PolarHBondContact O-N 2.94Å; I23-K25 HydrophobicContact CG2-CG 4.35Å; I23-K25 PolarHBondContact O-N 2.79Å
24	Y	53.6	Low	63.1	Low	228 Å²	228	126.1 Å²	126.1	89%	0.894	60%	0.6	S	S	*	*			trans	-63.1	86	169.6	-70.8	-85.7	0	0	0	106.3	G22 K26	G22-Y24 VanDerWaalsContact O-CD2 3.32Å; G22-Y24 WeakPolarHBondContact O-CD2 3.32Å; G22-Y24 PolarHBondContact O-N 2.73Å; Y24-K26 PolarHBondContact O-N 2.77Å
25	K	60	Low	65.9	Low	181 Å²	181	122.6 Å²	122.6	79%	0.787	59%	0.589	S	S	*	*			trans	-59.7	116.5	166.9	-84.3	-172.2	174.5	-177.8	0	105.4	I23 R27	I23-K25 HydrophobicContact CG2-CG 4.35Å; I23-K25 PolarHBondContact O-N 2.79Å; K25-R27 VanDerWaalsContact C-N 3.31Å; K25-R27 PolarHBondContact O-N 3.06Å
26	K	67.7	Low	68.7	Low	186 Å²	186	119.2 Å²	119.2	81%	0.809	57%	0.566	S	S	*	*			trans	-51.8	99.3	173.5	-174.9	176.9	-177.7	177.9	0	107.4	Y24	Y24-K26 PolarHBondContact O-N 2.77Å
27	R	70.2	Confident	71.7	Confident	166 Å²	166	119.5 Å²	119.5	63%	0.626	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-88.4	121.3	-178.2	-162.3	178	-170.6	132.8	-12.7	106.2	K25	K25-R27 VanDerWaalsContact C-N 3.31Å; K25-R27 PolarHBondContact O-N 3.06Å
28	F	81.5	Confident	74.3	Confident	106 Å²	106	119.7 Å²	119.7	47%	0.465	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-63.1	148.3	172.2	-64.1	-80.1	0	0	0	109.6	R30 R48	F28-R30 PolarHBondContact O-N 3.09Å; F28-R48 VanDerWaalsContact CB-CZ 3.41Å
29	Y	85.9	Confident	76.7	Confident	174 Å²	174	119.3 Å²	119.3	68%	0.682	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-58	134.3	173.5	178.5	-103.5	0	0	0	109.3	Y33	Y29-Y33 WeakPolarHBondContact O-CE2 3.48Å; Y29-Y33 PolarHBondContact O-OH 2.64Å
30	R	92.3	Very high	79.5	Confident	66 Å²	66	110.7 Å²	110.7	25%	0.249	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-95.6	136.5	173.5	-69.9	175.7	170.1	-173.3	-13.7	108	F28 R48 D68	F28-R30 PolarHBondContact O-N 3.09Å; R30-R48 CarbonylContact C-O 3.54Å; R30-D68 IonicContact CZ-OD1 3.03Å; R30-D68 IonicContact NE-OD1 2.73Å; R30-D68 PolarHBondContact NE-OD1 3.38Å; R30-D68 IonicContact NE-OD2 3.76Å; R30-D68 IonicContact NH2-OD1 2.64Å; R30-D68 PolarHBondContact NH2-OD1 2.64Å
31	G	94.3	Very high	81.7	Confident	22 Å²	22	111.7 Å²	111.7	23%	0.227	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.5	-173.3	-175	0	0	0	0	0	111.6	Y33 V47 R48	G31-Y33 WeakPolarHBondContact O-CD2 2.93Å; G31-V47 WeakPolarHBondContact O-CA 3.39Å; G31-V47 WeakPolarHBondContact O-CG2 3.45Å; G31-R48 PolarHBondContact N-O 3.46Å; G31-R48 PolarHBondContact O-N 2.69Å
32	I	95.8	Very high	84.5	Confident	61 Å²	61	106.9 Å²	106.9	31%	0.313	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.9	176.2	-57.5	174.7	0	0	0	108.2	L34 T35 V47 Y54 F112	I32-L34 WeakPolarHBondContact CG2-O 3.25Å; I32-T35 HydrophobicContact CG2-CG2 4.29Å; I32-V47 HydrophobicContact CG1-CG2 4.16Å; I32-Y54 HydrophobicContact CD1-CE1 4.42Å; I32-F112 HydrophobicContact CD1-CZ 4.36Å; I32-F112 HydrophobicContact CG1-CZ 4.19Å; I32-F112 HydrophobicContact CG2-CE1 4.4Å; I32-F112 HydrophobicContact CG2-CZ 4.09Å
33	Y	96.1	Very high	86.7	Confident	85 Å²	85	109 Å²	109	33%	0.333	50%	0.5	S	S	.	.	S	Bend	trans	-98	-40.1	176.2	-77.2	-107.3	0	0	0	110.9	Y29 G31 V45 L46 R48	Y29-Y33 WeakPolarHBondContact O-CE2 3.48Å; Y29-Y33 PolarHBondContact O-OH 2.64Å; G31-Y33 WeakPolarHBondContact O-CD2 2.93Å; Y33-V45 WeakPolarHBondContact CB-O 3.39Å; Y33-V45 HydrophobicContact CD2-CG1 3.83Å; Y33-V45 HydrophobicContact CE2-CG1 4.1Å; Y33-V45 HydrophobicContact CG-CG1 4.15Å; Y33-L46 PolarHBondContact N-O 3.37Å; Y33-R48 HydrophobicContact CE2-CB 4.12Å; Y33-R48 HydrophobicContact CE2-CG 3.72Å; Y33-R48 PolarHBondContact OH-NE 2.73Å
34	L	96.3	Very high	88.6	Confident	23 Å²	23	104.5 Å²	104.5	12%	0.12	48%	0.478	C	S	.	.	S	Bend	trans	-118.2	120	175.6	-64.2	-179.3	0	0	0	109.4	I32 M38 A40 D44 L46 V79	I32-L34 WeakPolarHBondContact CG2-O 3.25Å; L34-M38 HydrophobicContact CB-CB 4.35Å; L34-M38 HydrophobicContact CB-SD 4.47Å; L34-M38 HydrophobicContact CD2-CB 4.29Å; L34-M38 HydrophobicContact CD2-CE 3.82Å; L34-M38 HydrophobicContact CD2-SD 4.07Å; L34-A40 HydrophobicContact CD1-CB 3.61Å; L34-D44 HydrophobicContact CD1-CB 4.21Å; L34-L46 HydrophobicContact CB-CD2 4.39Å; L34-L46 HydrophobicContact CD1-CD2 3.9Å; L34-L46 PolarHBondContact N-O 3.46Å; L34-V79 HydrophobicContact CB-CG2 4.1Å; L34-V79 HydrophobicContact CD1-CG2 4.23Å
35	T	95.9	Very high	90.6	Very high	77 Å²	77	94.7 Å²	94.7	47%	0.472	44%	0.441	S	S	.	.			trans	-83	172.7	177.2	59.8	0	0	0	0	111.2	I32 M38	I32-T35 HydrophobicContact CG2-CG2 4.29Å; T35-M38 PolarHBondContact N-SD 3.26Å; T35-M38 WeakPolarHBondContact O-CB 3.43Å; T35-M38 WeakPolarHBondContact O-CG 3.3Å; T35-M38 PolarHBondContact O-N 3.27Å; T35-M38 WeakPolarHBondContact OG1-CG 3.48Å; T35-M38 PolarHBondContact OG1-SD 3.04Å
36	D	96.3	Very high	92.4	Very high	82 Å²	82	86.1 Å²	86.1	44%	0.439	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	141.5	173.6	-163.2	51.4	0	0	0	111.5	M38 T80 I81	D36-M38 PolarHBondContact O-N 2.82Å; D36-T80 WeakPolarHBondContact OD1-CA 3.45Å; D36-I81 HydrophobicContact CB-CD1 4.47Å; D36-I81 HydrophobicContact CB-CG1 4.47Å; D36-I81 PolarHBondContact OD1-N 2.78Å
37	S	96.1	Very high	93.8	Very high	90 Å²	90	77.3 Å²	77.3	63%	0.629	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	4.8	-176.9	-55.6	0	0	0	0	116.8	V79	S37-V79 PolarHBondContact N-O 3Å
38	M	97.2	Very high	95	Very high	80 Å²	80	70.3 Å²	70.3	39%	0.394	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-78.4	151.7	171.8	-66.2	-171.5	76.9	0	0	111.9	L34 T35 D36 I78 V79	L34-M38 HydrophobicContact CB-CB 4.35Å; L34-M38 HydrophobicContact CB-SD 4.47Å; L34-M38 HydrophobicContact CD2-CB 4.29Å; L34-M38 HydrophobicContact CD2-CE 3.82Å; L34-M38 HydrophobicContact CD2-SD 4.07Å; T35-M38 PolarHBondContact N-SD 3.26Å; T35-M38 WeakPolarHBondContact O-CB 3.43Å; T35-M38 WeakPolarHBondContact O-CG 3.3Å; T35-M38 PolarHBondContact O-N 3.27Å; T35-M38 WeakPolarHBondContact OG1-CG 3.48Å; T35-M38 PolarHBondContact OG1-SD 3.04Å; D36-M38 PolarHBondContact O-N 2.82Å; M38-I78 WeakPolarHBondContact O-CA 3.36Å; M38-V79 PolarHBondContact O-N 2.89Å
39	M	96.6	Very high	95.5	Very high	113 Å²	113	65.7 Å²	65.7	56%	0.557	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.1	173.5	-169.1	179	-58.2	0	0	109.9	G77 K117	M39-G77 CarbonylContact C-O 3.54Å; M39-G77 WeakPolarHBondContact CA-O 3.45Å; M39-K117 PolarHBondContact SD-NZ 3.2Å
40	A	97.1	Very high	95.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.3	169.4	0	0	0	0	0	110.1	L34 L46 A73 D76 G77 V79	L34-A40 HydrophobicContact CD1-CB 3.61Å; A40-L46 HydrophobicContact CB-CD2 4.09Å; A40-A73 HydrophobicContact CB-CB 3.85Å; A40-D76 WeakPolarHBondContact O-CA 3.44Å; A40-G77 PolarHBondContact N-O 3.37Å; A40-G77 PolarHBondContact O-N 3.04Å; A40-V79 HydrophobicContact CB-CG2 3.64Å
41	R	96.7	Very high	95.5	Very high	174 Å²	174	64.9 Å²	64.9	66%	0.657	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-94.9	160.2	162.8	-60.9	-177.1	-179.5	-127.9	2.1	110	D43 D44 A73 D76	R41-D43 PolarHBondContact O-N 2.92Å; R41-D44 WeakPolarHBondContact CB-OD2 3.39Å; R41-D44 PolarHBondContact N-OD2 2.82Å; R41-D44 VanDerWaalsContact O-CB 3.25Å; R41-D44 WeakPolarHBondContact O-CB 3.5Å; R41-D44 PolarHBondContact O-N 2.93Å; R41-D44 VanDerWaalsContact O-N 3.09Å; R41-A73 WeakPolarHBondContact O-CB 3.47Å; R41-D76 VanDerWaalsContact CA-OD1 3.23Å; R41-D76 WeakPolarHBondContact CA-OD1 2.99Å
42	K	96.6	Very high	95.2	Very high	127 Å²	127	63.9 Å²	63.9	55%	0.552	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.2	171	-177.4	177.9	176.3	-174.1	0	110.3	D44 D76	K42-D44 PolarHBondContact O-N 2.92Å; K42-D76 PolarHBondContact N-OD1 2.81Å
43	D	96.6	Very high	94.9	Very high	93 Å²	93	65 Å²	65	50%	0.497	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	2.7	-178.5	-55.6	-47.8	0	0	0	116.4	R41 R72 A73	R41-D43 PolarHBondContact O-N 2.92Å; D43-R72 PolarHBondContact O-NH1 2.9Å; D43-A73 WeakPolarHBondContact CA-O 3.07Å; D43-A73 PolarHBondContact N-O 2.65Å
44	D	96.8	Very high	94.8	Very high	61 Å²	61	63.6 Å²	63.6	33%	0.326	31%	0.311	S	S	.	.			trans	-61.3	140.7	172.2	-79.5	-14.3	0	0	0	111.2	L34 R41 K42 L46 R72 A73	L34-D44 HydrophobicContact CD1-CB 4.21Å; R41-D44 WeakPolarHBondContact CB-OD2 3.39Å; R41-D44 PolarHBondContact N-OD2 2.82Å; R41-D44 VanDerWaalsContact O-CB 3.25Å; R41-D44 WeakPolarHBondContact O-CB 3.5Å; R41-D44 PolarHBondContact O-N 2.93Å; R41-D44 VanDerWaalsContact O-N 3.09Å; K42-D44 PolarHBondContact O-N 2.92Å; D44-L46 PolarHBondContact O-N 2.82Å; D44-R72 CarbonylContact O-C 3.57Å; D44-R72 WeakPolarHBondContact O-CA 3.45Å; D44-A73 PolarHBondContact O-N 3.08Å
45	V	96.7	Very high	94.7	Very high	22 Å²	22	63 Å²	63	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.6	175.2	177.8	0	0	0	0	109	Y33 R48 V70 R72	Y33-V45 WeakPolarHBondContact CB-O 3.39Å; Y33-V45 HydrophobicContact CD2-CG1 3.83Å; Y33-V45 HydrophobicContact CE2-CG1 4.1Å; Y33-V45 HydrophobicContact CG-CG1 4.15Å; V45-R48 HydrophobicContact CG1-CG 3.84Å; V45-V70 HydrophobicContact CG1-CG1 3.79Å; V45-V70 HydrophobicContact CG2-CG1 4.19Å; V45-R72 HydrophobicContact CG2-CG 4.48Å; V45-R72 VanDerWaalsContact CG2-NH1 3.32Å
46	L	97.1	Very high	94.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-49.8	176.2	-56	-176.5	0	0	0	110.8	Y33 L34 A40 D44 V60 L71 A73 V79 F112 V114	Y33-L46 PolarHBondContact N-O 3.37Å; L34-L46 HydrophobicContact CB-CD2 4.39Å; L34-L46 HydrophobicContact CD1-CD2 3.9Å; L34-L46 PolarHBondContact N-O 3.46Å; A40-L46 HydrophobicContact CB-CD2 4.09Å; D44-L46 PolarHBondContact O-N 2.82Å; L46-V60 HydrophobicContact CD1-CB 4.41Å; L46-V60 HydrophobicContact CD1-CG1 3.86Å; L46-V60 HydrophobicContact CD1-CG2 3.61Å; L46-L71 HydrophobicContact CB-CB 4.32Å; L46-L71 PolarHBondContact N-O 3.09Å; L46-A73 HydrophobicContact CD2-CB 4.13Å; L46-V79 HydrophobicContact CD2-CG2 3.83Å; L46-F112 HydrophobicContact CB-CD1 3.9Å; L46-F112 HydrophobicContact CB-CE1 4.13Å; L46-F112 HydrophobicContact CB-CG 4.49Å; L46-F112 HydrophobicContact CD1-CB 4.01Å; L46-F112 HydrophobicContact CD1-CD1 3.99Å; L46-F112 HydrophobicContact CD1-CG 4.31Å; L46-F112 HydrophobicContact CG-CD1 4.49Å; L46-V114 HydrophobicContact CD1-CG2 3.97Å; L46-V114 HydrophobicContact CD2-CG2 4.47Å
47	V	96.8	Very high	94.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.6	-176.8	54.5	0	0	0	0	110.5	G31 I32 M49 Y54 V70 L71 F112	G31-V47 WeakPolarHBondContact O-CA 3.39Å; G31-V47 WeakPolarHBondContact O-CG2 3.45Å; I32-V47 HydrophobicContact CG1-CG2 4.16Å; V47-M49 HydrophobicContact CB-CE 4.32Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; V47-M49 HydrophobicContact CG2-CE 3.94Å; V47-Y54 HydrophobicContact CG2-CD2 3.95Å; V47-Y54 HydrophobicContact CG2-CE2 4.14Å; V47-V70 WeakPolarHBondContact O-CA 3.18Å; V47-L71 HydrophobicContact CG1-CB 3.73Å; V47-L71 HydrophobicContact CG1-CD1 3.67Å; V47-L71 HydrophobicContact CG1-CG 3.78Å; V47-L71 PolarHBondContact O-N 2.85Å; V47-L71 VanDerWaalsContact O-N 3.08Å; V47-F112 HydrophobicContact CB-CE2 4.09Å; V47-F112 HydrophobicContact CB-CZ 4.06Å; V47-F112 HydrophobicContact CG1-CD2 3.93Å; V47-F112 HydrophobicContact CG1-CE2 3.62Å; V47-F112 HydrophobicContact CG1-CZ 4Å
48	R	95.8	Very high	94.5	Very high	20 Å²	20	58.7 Å²	58.7	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.5	166.4	-62.7	-170.2	-157.1	-138.4	5.8	110.1	F28 R30 G31 Y33 V45 E65 V70	F28-R48 VanDerWaalsContact CB-CZ 3.41Å; R30-R48 CarbonylContact C-O 3.54Å; G31-R48 PolarHBondContact N-O 3.46Å; G31-R48 PolarHBondContact O-N 2.69Å; Y33-R48 HydrophobicContact CE2-CB 4.12Å; Y33-R48 HydrophobicContact CE2-CG 3.72Å; Y33-R48 PolarHBondContact OH-NE 2.73Å; V45-R48 HydrophobicContact CG1-CG 3.84Å; R48-E65 IonicContact NH1-OE2 2.69Å; R48-E65 PolarHBondContact NH1-OE2 3.26Å; R48-V70 HydrophobicContact CG-CG1 4.15Å; R48-V70 HydrophobicContact CG-CG2 3.98Å
49	M	93.5	Very high	94.5	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.1	-176	62.7	-171.5	99.7	0	0	110.8	V47 N51 L52 D53 Y54 D68 R69 L71	V47-M49 HydrophobicContact CB-CE 4.32Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; V47-M49 HydrophobicContact CG2-CE 3.94Å; M49-N51 VanDerWaalsContact CB-O 3.3Å; M49-N51 WeakPolarHBondContact CB-O 3.06Å; M49-N51 WeakPolarHBondContact CG-O 3.22Å; M49-L52 HydrophobicContact SD-CD1 4.33Å; M49-D53 HydrophobicContact SD-CB 4.46Å; M49-D53 PolarHBondContact SD-N 3.37Å; M49-D53 VanDerWaalsContact SD-N 3.37Å; M49-Y54 HydrophobicContact CE-CD2 3.87Å; M49-Y54 HydrophobicContact CE-CG 4.26Å; M49-Y54 HydrophobicContact SD-CD2 4.03Å; M49-Y54 PolarHBondContact SD-N 2.9Å; M49-D68 WeakPolarHBondContact O-CA 3.36Å; M49-R69 HydrophobicContact CG-CB 3.86Å; M49-R69 PolarHBondContact N-O 3.27Å; M49-R69 PolarHBondContact O-N 2.73Å; M49-L71 HydrophobicContact CE-CD1 3.86Å; M49-L71 HydrophobicContact CE-CG 3.82Å
50	R	89.8	Confident	94.6	Very high	149 Å²	149	52.8 Å²	52.8	56%	0.562	26%	0.259	S	S	*	.	S	Bend	trans	-87.1	-48.2	175.3	-172.5	-172.9	-174.6	171.6	-3.9	110.8
51	N	87.7	Confident	94.5	Very high	74 Å²	74	54.5 Å²	54.5	40%	0.396	27%	0.271	S	S	.	.	S	Bend	trans	-97.8	153.9	174.3	-58.5	-19.5	0	0	0	107.8	M49 D53 F98	M49-N51 VanDerWaalsContact CB-O 3.3Å; M49-N51 WeakPolarHBondContact CB-O 3.06Å; M49-N51 WeakPolarHBondContact CG-O 3.22Å; N51-D53 PolarHBondContact O-N 3.44Å; N51-F98 HydrophobicContact CB-CD1 4.16Å; N51-F98 HydrophobicContact CB-CE1 3.91Å
52	L	87.8	Confident	94.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.251	C	S	.	.			trans	-76.9	66.4	178.8	-166.6	76.7	0	0	0	110.9	M49 Y54 Y62 M95 Y99	M49-L52 HydrophobicContact SD-CD1 4.33Å; L52-Y54 VanDerWaalsContact C-N 3.29Å; L52-Y54 WeakPolarHBondContact CD1-O 3.33Å; L52-Y54 WeakPolarHBondContact CG-O 3.34Å; L52-Y62 HydrophobicContact CD1-CD2 4.06Å; L52-Y62 HydrophobicContact CD1-CE2 3.67Å; L52-M95 HydrophobicContact CD2-CE 3.48Å; L52-M95 VanDerWaalsContact CD2-CE 3.48Å; L52-M95 HydrophobicContact CD2-SD 3.39Å; L52-M95 WeakPolarHBondContact CD2-SD 3.14Å; L52-Y99 HydrophobicContact CB-CE2 4.39Å; L52-Y99 HydrophobicContact CD2-CE2 4.14Å; L52-Y99 PolarHBondContact O-OH 3.36Å
53	D	90.2	Very high	94.2	Very high	85 Å²	85	44.9 Å²	44.9	46%	0.455	24%	0.237	S	C	.	.			trans	-69.1	-32.9	-179.1	-59.3	-39.3	0	0	0	111.1	M49 N51	M49-D53 HydrophobicContact SD-CB 4.46Å; M49-D53 PolarHBondContact SD-N 3.37Å; M49-D53 VanDerWaalsContact SD-N 3.37Å; N51-D53 PolarHBondContact O-N 3.44Å
54	Y	93.8	Very high	93.9	Very high	56 Å²	56	46.4 Å²	46.4	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.9	174.6	-49.7	-93.6	0	0	0	111.2	I32 V47 M49 L52 L110 F112	I32-Y54 HydrophobicContact CD1-CE1 4.42Å; V47-Y54 HydrophobicContact CG2-CD2 3.95Å; V47-Y54 HydrophobicContact CG2-CE2 4.14Å; M49-Y54 HydrophobicContact CE-CD2 3.87Å; M49-Y54 HydrophobicContact CE-CG 4.26Å; M49-Y54 HydrophobicContact SD-CD2 4.03Å; M49-Y54 PolarHBondContact SD-N 2.9Å; L52-Y54 VanDerWaalsContact C-N 3.29Å; L52-Y54 WeakPolarHBondContact CD1-O 3.33Å; L52-Y54 WeakPolarHBondContact CG-O 3.34Å; Y54-L110 WeakPolarHBondContact CA-O 3.2Å; Y54-L110 HydrophobicContact CD1-CB 3.6Å; Y54-L110 HydrophobicContact CD1-CD1 4.14Å; Y54-L110 HydrophobicContact CE1-CB 4.03Å; Y54-L110 HydrophobicContact CE1-CD1 3.67Å; Y54-F112 HydrophobicContact CD1-CD2 4.04Å; Y54-F112 AromaticContact CD1-CE2 3.48Å; Y54-F112 HydrophobicContact CD1-CE2 3.48Å; Y54-F112 VanDerWaalsContact CD1-CE2 3.48Å; Y54-F112 HydrophobicContact CD2-CE2 4.27Å; Y54-F112 HydrophobicContact CE1-CE2 4.04Å; Y54-F112 HydrophobicContact CG-CD2 4.09Å; Y54-F112 AromaticContact CG-CE2 3.62Å; Y54-F112 HydrophobicContact CG-CE2 3.62Å
55	V	92.8	Very high	93.6	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.9	-177.6	179	0	0	0	0	109.3	G57 V86 L88 K109 L110 C111 F112	V55-G57 PolarHBondContact O-N 3.18Å; V55-V86 HydrophobicContact CG1-CG1 4.03Å; V55-V86 HydrophobicContact CG1-CG2 4.41Å; V55-L88 HydrophobicContact CG1-CD2 4.34Å; V55-L88 HydrophobicContact CG2-CD2 4.47Å; V55-K109 HydrophobicContact CG2-CB 3.72Å; V55-K109 HydrophobicContact CG2-CG 4.01Å; V55-L110 PolarHBondContact N-O 2.87Å; V55-C111 WeakPolarHBondContact O-CA 3.03Å; V55-F112 PolarHBondContact O-N 3.45Å; V55-F112 VanDerWaalsContact O-N 3.1Å
56	P	95.2	Very high	93.1	Very high	44 Å²	44	48.5 Å²	48.5	29%	0.286	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127.2	169.6	27.8	-34.7	0	0	0	110.3	V60 L71	P56-V60 HydrophobicContact CB-CB 4.27Å; P56-V60 HydrophobicContact CB-CG1 4.02Å; P56-L71 HydrophobicContact CB-CD2 4.02Å; P56-L71 HydrophobicContact CG-CD2 4.4Å
57	G	94.9	Very high	92.6	Very high	23 Å²	23	57.9 Å²	57.9	24%	0.237	30%	0.298	C	S	.	.			trans	-102.4	-143.9	170.3	0	0	0	0	0	111.8	V55 N59 F112 N113	V55-G57 PolarHBondContact O-N 3.18Å; G57-N59 PolarHBondContact O-N 3.09Å; G57-F112 WeakPolarHBondContact CA-O 3.36Å; G57-F112 PolarHBondContact N-O 2.92Å; G57-N113 VanDerWaalsContact CA-OD1 3.29Å; G57-N113 WeakPolarHBondContact CA-OD1 3.49Å
58	V	95.8	Very high	92.4	Very high	93 Å²	93	58.5 Å²	58.5	56%	0.564	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	129.4	-178.9	-177.1	0	0	0	0	110.9	V60 N113 V114	V58-V60 VanDerWaalsContact C-N 3.28Å; V58-V60 PolarHBondContact O-N 2.97Å; V58-N113 PolarHBondContact N-OD1 2.74Å; V58-V114 PolarHBondContact O-N 2.87Å
59	N	97	Very high	92.2	Very high	58 Å²	58	58.4 Å²	58.4	31%	0.31	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	33.9	179.7	-54.7	-40.3	0	0	0	114.7	G57 M74 C75 V114	G57-N59 PolarHBondContact O-N 3.09Å; N59-M74 HydrophobicContact CB-CB 4.45Å; N59-M74 WeakPolarHBondContact O-CB 3.45Å; N59-M74 PolarHBondContact O-N 3.41Å; N59-C75 WeakPolarHBondContact CB-SG 3.37Å; N59-V114 HydrophobicContact CB-CB 4.22Å; N59-V114 WeakPolarHBondContact CB-O 3.29Å; N59-V114 PolarHBondContact ND2-O 3.5Å
60	V	97.5	Very high	92.2	Very high	11 Å²	11	58 Å²	58	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	176	177.7	0	0	0	0	110.1	L46 P56 V58 L71 R72 F112 V114	L46-V60 HydrophobicContact CD1-CB 4.41Å; L46-V60 HydrophobicContact CD1-CG1 3.86Å; L46-V60 HydrophobicContact CD1-CG2 3.61Å; P56-V60 HydrophobicContact CB-CB 4.27Å; P56-V60 HydrophobicContact CB-CG1 4.02Å; V58-V60 VanDerWaalsContact C-N 3.28Å; V58-V60 PolarHBondContact O-N 2.97Å; V60-L71 HydrophobicContact CG1-CB 3.79Å; V60-L71 HydrophobicContact CG1-CD1 4.34Å; V60-L71 HydrophobicContact CG1-CD2 4.29Å; V60-L71 HydrophobicContact CG1-CG 4.36Å; V60-R72 CarbonylContact C-O 3.57Å; V60-R72 WeakPolarHBondContact CA-O 3.36Å; V60-F112 HydrophobicContact CG2-CB 4.26Å; V60-F112 WeakPolarHBondContact CG2-O 3.4Å; V60-V114 HydrophobicContact CG2-CG2 3.82Å
61	S	95.9	Very high	92.6	Very high	36 Å²	36	51 Å²	51	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.4	174.5	66.2	0	0	0	0	110.8	L71 R72	S61-L71 WeakPolarHBondContact O-CA 3.35Å; S61-R72 PolarHBondContact N-O 2.94Å; S61-R72 PolarHBondContact O-N 3.33Å; S61-R72 PolarHBondContact OG-O 2.94Å
62	Y	93.8	Very high	93	Very high	62 Å²	62	50.3 Å²	50.3	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.2	174.5	167.9	-96	0	0	0	110	L52 R69 L71	L52-Y62 HydrophobicContact CD1-CD2 4.06Å; L52-Y62 HydrophobicContact CD1-CE2 3.67Å; Y62-R69 HydrophobicContact CE2-CB 3.81Å; Y62-R69 HydrophobicContact CE2-CG 3.93Å; Y62-R69 PolarHBondContact OH-NH1 3.34Å; Y62-L71 HydrophobicContact CD2-CD2 3.92Å
63	S	92	Very high	93.5	Very high	36 Å²	36	50.3 Å²	50.3	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.1	176	59.4	0	0	0	0	111.2	V70	S63-V70 PolarHBondContact N-O 3.13Å; S63-V70 PolarHBondContact O-N 3.42Å; S63-V70 PolarHBondContact OG-O 2.9Å
64	K	90.4	Very high	93.9	Very high	126 Å²	126	51.3 Å²	51.3	55%	0.548	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.9	176.3	-175.2	-178.5	177.7	-177.3	0	109.7	G66 D68	K64-G66 WeakPolarHBondContact CE-O 3.41Å; K64-D68 CarbonylContact C-O 3.58Å
65	E	90.6	Very high	94	Very high	67 Å²	67	50 Å²	50	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	91.9	178.3	-67.2	-178.2	-167.2	0	0	109.8	R48 Y67 D68 V70 R72	R48-E65 IonicContact NH1-OE2 2.69Å; R48-E65 PolarHBondContact NH1-OE2 3.26Å; E65-Y67 PolarHBondContact O-N 3.41Å; E65-Y67 VanDerWaalsContact O-N 3.09Å; E65-D68 PolarHBondContact N-O 3.19Å; E65-D68 PolarHBondContact O-N 2.91Å; E65-V70 HydrophobicContact CB-CG2 4Å; E65-V70 HydrophobicContact CG-CG2 3.97Å; E65-R72 IonicContact OE1-CZ 3.27Å; E65-R72 IonicContact OE1-NE 3.5Å; E65-R72 PolarHBondContact OE1-NE 2.86Å; E65-R72 IonicContact OE1-NH2 3.96Å; E65-R72 PolarHBondContact OE1-NH2 2.89Å; E65-R72 IonicContact OE2-NH2 3.46Å
66	G	86.9	Confident	94.1	Very high	59 Å²	59	53.9 Å²	53.9	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-108.3	-176.7	0	0	0	0	0	112.4	K64	K64-G66 WeakPolarHBondContact CE-O 3.41Å
67	Y	87.3	Confident	94.2	Very high	197 Å²	197	51.8 Å²	51.8	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.3	176.3	-64	-73.2	0	0	0	113.3	E65	E65-Y67 PolarHBondContact O-N 3.41Å; E65-Y67 VanDerWaalsContact O-N 3.09Å
68	D	91.1	Very high	94.3	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.08	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.3	-176.8	-63.6	-22.1	0	0	0	109.9	R30 M49 K64 E65 V70	R30-D68 IonicContact CZ-OD1 3.03Å; R30-D68 IonicContact NE-OD1 2.73Å; R30-D68 PolarHBondContact NE-OD1 3.38Å; R30-D68 IonicContact NE-OD2 3.76Å; R30-D68 IonicContact NH2-OD1 2.64Å; R30-D68 PolarHBondContact NH2-OD1 2.64Å; M49-D68 WeakPolarHBondContact O-CA 3.36Å; K64-D68 CarbonylContact C-O 3.58Å; E65-D68 PolarHBondContact N-O 3.19Å; E65-D68 PolarHBondContact O-N 2.91Å; D68-V70 HydrophobicContact CB-CG2 4.35Å
69	R	91.3	Very high	94.4	Very high	18 Å²	18	50 Å²	50	7%	0.068	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.9	168.2	-66.7	179.3	-173	-123.8	-6.1	106.8	M49 Y62 G94	M49-R69 HydrophobicContact CG-CB 3.86Å; M49-R69 PolarHBondContact N-O 3.27Å; M49-R69 PolarHBondContact O-N 2.73Å; Y62-R69 HydrophobicContact CE2-CB 3.81Å; Y62-R69 HydrophobicContact CE2-CG 3.93Å; Y62-R69 PolarHBondContact OH-NH1 3.34Å; R69-G94 PolarHBondContact NH1-O 2.81Å; R69-G94 PolarHBondContact NH2-O 2.98Å
70	V	95.3	Very high	94.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.7	-171.1	-172.2	0	0	0	0	108.8	V45 V47 R48 S63 E65 D68 R72	V45-V70 HydrophobicContact CG1-CG1 3.79Å; V45-V70 HydrophobicContact CG2-CG1 4.19Å; V47-V70 WeakPolarHBondContact O-CA 3.18Å; R48-V70 HydrophobicContact CG-CG1 4.15Å; R48-V70 HydrophobicContact CG-CG2 3.98Å; S63-V70 PolarHBondContact N-O 3.13Å; S63-V70 PolarHBondContact O-N 3.42Å; S63-V70 PolarHBondContact OG-O 2.9Å; E65-V70 HydrophobicContact CB-CG2 4Å; E65-V70 HydrophobicContact CG-CG2 3.97Å; D68-V70 HydrophobicContact CB-CG2 4.35Å; V70-R72 HydrophobicContact CG1-CG 4.09Å
71	L	96.5	Very high	94.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.9	169.5	-59.8	-172.4	0	0	0	109.2	L46 V47 M49 P56 V60 S61 Y62 F112	L46-L71 HydrophobicContact CB-CB 4.32Å; L46-L71 PolarHBondContact N-O 3.09Å; V47-L71 HydrophobicContact CG1-CB 3.73Å; V47-L71 HydrophobicContact CG1-CD1 3.67Å; V47-L71 HydrophobicContact CG1-CG 3.78Å; V47-L71 PolarHBondContact O-N 2.85Å; V47-L71 VanDerWaalsContact O-N 3.08Å; M49-L71 HydrophobicContact CE-CD1 3.86Å; M49-L71 HydrophobicContact CE-CG 3.82Å; P56-L71 HydrophobicContact CB-CD2 4.02Å; P56-L71 HydrophobicContact CG-CD2 4.4Å; V60-L71 HydrophobicContact CG1-CB 3.79Å; V60-L71 HydrophobicContact CG1-CD1 4.34Å; V60-L71 HydrophobicContact CG1-CD2 4.29Å; V60-L71 HydrophobicContact CG1-CG 4.36Å; S61-L71 WeakPolarHBondContact O-CA 3.35Å; Y62-L71 HydrophobicContact CD2-CD2 3.92Å; L71-F112 HydrophobicContact CD1-CB 4.16Å; L71-F112 HydrophobicContact CD1-CD2 3.95Å; L71-F112 HydrophobicContact CD1-CG 4.32Å
72	R	97.6	Very high	94.5	Very high	61 Å²	61	50.9 Å²	50.9	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.7	179.3	-65.3	174.7	175.5	-85.1	1.3	111	D43 D44 V45 V60 S61 E65 V70	D43-R72 PolarHBondContact O-NH1 2.9Å; D44-R72 CarbonylContact O-C 3.57Å; D44-R72 WeakPolarHBondContact O-CA 3.45Å; V45-R72 HydrophobicContact CG2-CG 4.48Å; V45-R72 VanDerWaalsContact CG2-NH1 3.32Å; V60-R72 CarbonylContact C-O 3.57Å; V60-R72 WeakPolarHBondContact CA-O 3.36Å; S61-R72 PolarHBondContact N-O 2.94Å; S61-R72 PolarHBondContact O-N 3.33Å; S61-R72 PolarHBondContact OG-O 2.94Å; E65-R72 IonicContact OE1-CZ 3.27Å; E65-R72 IonicContact OE1-NE 3.5Å; E65-R72 PolarHBondContact OE1-NE 2.86Å; E65-R72 IonicContact OE1-NH2 3.96Å; E65-R72 PolarHBondContact OE1-NH2 2.89Å; E65-R72 IonicContact OE2-NH2 3.46Å; V70-R72 HydrophobicContact CG1-CG 4.09Å
73	A	97.9	Very high	94.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.8	174.5	0	0	0	0	0	110.6	A40 R41 D43 D44 L46 V114	A40-A73 HydrophobicContact CB-CB 3.85Å; R41-A73 WeakPolarHBondContact O-CB 3.47Å; D43-A73 WeakPolarHBondContact CA-O 3.07Å; D43-A73 PolarHBondContact N-O 2.65Å; D44-A73 PolarHBondContact O-N 3.08Å; L46-A73 HydrophobicContact CD2-CB 4.13Å; A73-V114 HydrophobicContact CB-CG2 3.98Å
74	M	97.5	Very high	94.8	Very high	106 Å²	106	53 Å²	53	52%	0.522	27%	0.272	S	S	.	.	S	Bend	trans	-87.1	-18.3	174.5	-65.6	-173.8	68.1	0	0	113	N59	N59-M74 HydrophobicContact CB-CB 4.45Å; N59-M74 WeakPolarHBondContact O-CB 3.45Å; N59-M74 PolarHBondContact O-N 3.41Å
75	C	96.1	Very high	95	Very high	28 Å²	28	50.8 Å²	50.8	19%	0.189	28%	0.277	C	S	.	.	S	Bend	trans	-142.7	164.4	-178	66	0	0	0	0	111.4	N59	N59-C75 WeakPolarHBondContact CB-SG 3.37Å
76	D	96.3	Very high	94.9	Very high	91 Å²	91	48.9 Å²	48.9	49%	0.487	27%	0.27	S	S	.	.	S	Bend	trans	-75.3	126.2	171.1	-64.7	-10.3	0	0	0	109.6	A40 R41 K42 P116 K117	A40-D76 WeakPolarHBondContact O-CA 3.44Å; R41-D76 VanDerWaalsContact CA-OD1 3.23Å; R41-D76 WeakPolarHBondContact CA-OD1 2.99Å; K42-D76 PolarHBondContact N-OD1 2.81Å; D76-P116 WeakPolarHBondContact O-CA 3.44Å; D76-K117 PolarHBondContact O-N 3.07Å
77	G	96.7	Very high	95	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-171.3	-172.2	0	0	0	0	0	114.7	M39 A40 I115	M39-G77 CarbonylContact C-O 3.54Å; M39-G77 WeakPolarHBondContact CA-O 3.45Å; A40-G77 PolarHBondContact N-O 3.37Å; A40-G77 PolarHBondContact O-N 3.04Å; G77-I115 CarbonylContact C-O 3.45Å; G77-I115 WeakPolarHBondContact CA-O 3.34Å
78	I	97.5	Very high	94.8	Very high	79 Å²	79	48.1 Å²	48.1	41%	0.405	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.1	173.2	-59.4	175.2	0	0	0	108	M38 I115	M38-I78 WeakPolarHBondContact O-CA 3.36Å; I78-I115 PolarHBondContact N-O 3.41Å; I78-I115 PolarHBondContact O-N 3.17Å
79	V	97.9	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.7	175.8	-177.6	0	0	0	0	108.9	L34 S37 M38 A40 L46 I81 F112 N113 V114	L34-V79 HydrophobicContact CB-CG2 4.1Å; L34-V79 HydrophobicContact CD1-CG2 4.23Å; S37-V79 PolarHBondContact N-O 3Å; M38-V79 PolarHBondContact O-N 2.89Å; A40-V79 HydrophobicContact CB-CG2 3.64Å; L46-V79 HydrophobicContact CD2-CG2 3.83Å; V79-I81 HydrophobicContact CG1-CG1 4.37Å; V79-F112 HydrophobicContact CG1-CD1 3.72Å; V79-F112 HydrophobicContact CG1-CE1 4.04Å; V79-N113 CarbonylContact C-O 3.58Å; V79-N113 WeakPolarHBondContact CA-O 3.26Å; V79-V114 HydrophobicContact CG2-CG2 4.45Å
80	T	97.5	Very high	93.9	Very high	30 Å²	30	53.5 Å²	53.5	18%	0.184	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.5	170.2	53.7	0	0	0	0	111	D36 N113 I115	D36-T80 WeakPolarHBondContact OD1-CA 3.45Å; T80-N113 PolarHBondContact N-O 3.01Å; T80-N113 PolarHBondContact O-N 3.29Å; T80-N113 WeakPolarHBondContact OG1-CB 3.31Å; T80-I115 HydrophobicContact CG2-CD1 3.56Å; T80-I115 HydrophobicContact CG2-CG1 4.18Å
81	I	97.2	Very high	93.2	Very high	44 Å²	44	60.7 Å²	60.7	23%	0.226	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.7	179	-54.8	175.1	0	0	0	108.7	D36 V79 L110 C111 F112	D36-I81 HydrophobicContact CB-CD1 4.47Å; D36-I81 HydrophobicContact CB-CG1 4.47Å; D36-I81 PolarHBondContact OD1-N 2.78Å; V79-I81 HydrophobicContact CG1-CG1 4.37Å; I81-L110 HydrophobicContact CG2-CB 4.49Å; I81-L110 HydrophobicContact CG2-CD2 4.28Å; I81-C111 WeakPolarHBondContact CA-O 3.43Å; I81-F112 HydrophobicContact CD1-CD1 4.32Å; I81-F112 HydrophobicContact CD1-CE1 3.56Å; I81-F112 HydrophobicContact CD1-CE2 4.34Å; I81-F112 HydrophobicContact CD1-CZ 3.56Å; I81-F112 HydrophobicContact CG1-CD1 3.98Å; I81-F112 HydrophobicContact CG1-CE1 3.73Å; I81-F112 HydrophobicContact CG1-CG 4.49Å; I81-F112 HydrophobicContact CG1-CZ 4.03Å
82	T	97.1	Very high	92.3	Very high	49 Å²	49	65.2 Å²	65.2	30%	0.301	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.6	-175	52.5	0	0	0	0	110.8	E84 L110 C111 N113	T82-E84 PolarHBondContact OG1-OE1 3.17Å; T82-L110 CarbonylContact O-C 3.59Å; T82-L110 VanDerWaalsContact O-CA 3.31Å; T82-L110 WeakPolarHBondContact O-CA 3.34Å; T82-C111 PolarHBondContact N-O 2.8Å; T82-C111 VanDerWaalsContact N-O 3.12Å; T82-C111 PolarHBondContact O-N 3.27Å; T82-N113 PolarHBondContact OG1-ND2 3.12Å
83	T	96.9	Very high	90.9	Very high	76 Å²	76	69.9 Å²	69.9	47%	0.466	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.8	168.8	-58.1	0	0	0	0	109	R108 K109 L110	T83-R108 HydrophobicContact CG2-CB 4.05Å; T83-R108 PolarHBondContact O-NH2 2.8Å; T83-K109 WeakPolarHBondContact CA-O 3.39Å; T83-L110 VanDerWaalsContact OG1-CD2 3.26Å; T83-L110 WeakPolarHBondContact OG1-CD2 3.41Å
84	E	95.7	Very high	89.7	Confident	67 Å²	67	70.8 Å²	70.8	31%	0.313	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	156.1	-174.4	-64.8	172.6	-172.1	0	0	111.3	T82 R108 K109 C111 N113	T82-E84 PolarHBondContact OG1-OE1 3.17Å; E84-R108 CarbonylContact O-C 3.54Å; E84-R108 WeakPolarHBondContact O-CA 3.34Å; E84-K109 PolarHBondContact N-O 2.64Å; E84-K109 PolarHBondContact O-N 2.91Å; E84-C111 HydrophobicContact CG-CB 4.36Å; E84-C111 PolarHBondContact OE2-SG 2.92Å; E84-C111 VanDerWaalsContact OE2-SG 3.35Å; E84-N113 PolarHBondContact OE1-ND2 2.91Å
85	A	93.7	Very high	88.9	Confident	80 Å²	80	66.5 Å²	66.5	66%	0.661	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.7	168.1	0	0	0	0	0	108.3
86	V	89.7	Confident	88.2	Confident	27 Å²	27	67.9 Å²	67.9	16%	0.164	37%	0.366	C	S	.	.			trans	-118.6	126.6	-172.7	-179.3	0	0	0	0	109.8	V55 L88 M107 K109	V55-V86 HydrophobicContact CG1-CG1 4.03Å; V55-V86 HydrophobicContact CG1-CG2 4.41Å; V86-L88 HydrophobicContact CG1-CD2 3.5Å; V86-L88 VanDerWaalsContact CG1-CD2 3.5Å; V86-L88 HydrophobicContact CG1-CG 3.81Å; V86-M107 PolarHBondContact N-O 2.82Å; V86-K109 HydrophobicContact CG2-CB 4.01Å
87	Q	87.6	Confident	87.5	Confident	202 Å²	202	71 Å²	71	94%	0.944	38%	0.378	S	S	*	.			trans	-93.4	99.8	165.3	-66.6	179.1	2.6	0	0	107.7
88	L	83.5	Confident	86.7	Confident	37 Å²	37	73.1 Å²	73.1	19%	0.194	39%	0.387	C	S	.	.			trans	-81.2	130.3	177.1	-70.9	-175.9	0	0	0	109.9	V55 V86 L90 Y99 M107	V55-L88 HydrophobicContact CG1-CD2 4.34Å; V55-L88 HydrophobicContact CG2-CD2 4.47Å; V86-L88 HydrophobicContact CG1-CD2 3.5Å; V86-L88 VanDerWaalsContact CG1-CD2 3.5Å; V86-L88 HydrophobicContact CG1-CG 3.81Å; L88-L90 PolarHBondContact O-N 3.1Å; L88-L90 VanDerWaalsContact O-N 3.17Å; L88-Y99 HydrophobicContact CD1-CD1 4.15Å; L88-Y99 HydrophobicContact CD1-CD2 3.23Å; L88-Y99 HydrophobicContact CD1-CE1 4.25Å; L88-Y99 HydrophobicContact CD1-CE2 3.35Å; L88-Y99 HydrophobicContact CD1-CG 3.65Å; L88-M107 HydrophobicContact CD1-CE 3.3Å; L88-M107 HydrophobicContact CG-CE 3.7Å
89	D	84.4	Confident	86.1	Confident	98 Å²	98	70 Å²	70	52%	0.524	37%	0.371	S	S	.	.			trans	-69.9	106.7	164.1	-177.4	7	0	0	0	109.1	D91 H92	D89-D91 PolarHBondContact O-N 2.71Å; D89-D91 WeakPolarHBondContact OD1-CB 3.23Å; D89-D91 PolarHBondContact OD1-N 2.83Å; D89-H92 PolarHBondContact O-N 3.35Å
90	L	80.3	Confident	85.5	Confident	49 Å²	49	75.8 Å²	75.8	26%	0.257	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.9	-179.7	-65.4	177.1	0	0	0	112.3	L88 H92 T96 K103	L88-L90 PolarHBondContact O-N 3.1Å; L88-L90 VanDerWaalsContact O-N 3.17Å; L90-H92 VanDerWaalsContact C-N 3.28Å; L90-T96 PolarHBondContact O-OG1 2.9Å; L90-K103 HydrophobicContact CD1-CB 3.85Å
91	D	80.5	Confident	84.9	Confident	151 Å²	151	82.9 Å²	82.9	81%	0.807	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17	177.8	-62.3	-25	0	0	0	111.5	D89	D89-D91 PolarHBondContact O-N 2.71Å; D89-D91 WeakPolarHBondContact OD1-CB 3.23Å; D89-D91 PolarHBondContact OD1-N 2.83Å
92	H	77.4	Confident	84.3	Confident	94 Å²	94	86.2 Å²	86.2	44%	0.435	43%	0.431	S	S	.	.	S	Bend	trans	-68.8	134.8	177.4	-164.9	77	0	0	0	112.1	D89 L90 G94 M95	D89-H92 PolarHBondContact O-N 3.35Å; L90-H92 VanDerWaalsContact C-N 3.28Å; H92-G94 PolarHBondContact O-N 3.35Å; H92-M95 HydrophobicContact CB-CG 3.97Å; H92-M95 WeakPolarHBondContact O-CB 3.36Å; H92-M95 WeakPolarHBondContact O-CG 3.25Å; H92-M95 PolarHBondContact O-N 3.42Å
93	F	67.9	Low	83.6	Confident	160 Å²	160	90.5 Å²	90.5	70%	0.702	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	113.1	-167.9	-176.6	-98.2	0	0	0	113.4
94	G	72.9	Confident	83.1	Confident	19 Å²	19	93.4 Å²	93.4	20%	0.196	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	23.9	177.2	0	0	0	0	0	114.3	R69 H92 F98	R69-G94 PolarHBondContact NH1-O 2.81Å; R69-G94 PolarHBondContact NH2-O 2.98Å; H92-G94 PolarHBondContact O-N 3.35Å; G94-F98 WeakPolarHBondContact O-CD2 3.33Å; G94-F98 VanDerWaalsContact O-CE2 3.25Å; G94-F98 WeakPolarHBondContact O-CE2 3.2Å
95	M	80	Confident	82.7	Confident	15 Å²	15	94.5 Å²	94.5	7%	0.074	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-42.3	163.6	-65.8	-55.1	174.9	0	0	111.6	L52 H92 Q97 F98 Y99	L52-M95 HydrophobicContact CD2-CE 3.48Å; L52-M95 VanDerWaalsContact CD2-CE 3.48Å; L52-M95 HydrophobicContact CD2-SD 3.39Å; L52-M95 WeakPolarHBondContact CD2-SD 3.14Å; H92-M95 HydrophobicContact CB-CG 3.97Å; H92-M95 WeakPolarHBondContact O-CB 3.36Å; H92-M95 WeakPolarHBondContact O-CG 3.25Å; H92-M95 PolarHBondContact O-N 3.42Å; M95-Q97 VanDerWaalsContact C-N 3.29Å; M95-Q97 PolarHBondContact O-N 2.92Å; M95-F98 PolarHBondContact O-N 3.01Å; M95-Y99 PolarHBondContact O-N 2.8Å; M95-Y99 VanDerWaalsContact O-N 3.09Å
96	T	81.7	Confident	82.4	Confident	57 Å²	57	96.7 Å²	96.7	35%	0.35	48%	0.476	S	S	.	.	H	α-helix	trans	-48.8	-50.7	177.1	-23.3	0	0	0	0	111.2	L90 F98 Y99 E100	L90-T96 PolarHBondContact O-OG1 2.9Å; T96-F98 PolarHBondContact O-N 3.06Å; T96-Y99 PolarHBondContact O-N 2.85Å; T96-E100 HydrophobicContact CG2-CB 4.1Å; T96-E100 HydrophobicContact CG2-CG 4.38Å; T96-E100 WeakPolarHBondContact O-CB 3.21Å; T96-E100 PolarHBondContact O-N 3.21Å
97	Q	82	Confident	82.3	Confident	156 Å²	156	96.6 Å²	96.6	73%	0.729	48%	0.475	S	S	*	.	H	α-helix	trans	-55.1	-27.1	-179.9	-176.1	177.2	38.3	0	0	114.3	M95	M95-Q97 VanDerWaalsContact C-N 3.29Å; M95-Q97 PolarHBondContact O-N 2.92Å
98	F	80.4	Confident	82.6	Confident	45 Å²	45	94.6 Å²	94.6	20%	0.197	46%	0.458	C	S	.	.	H	α-helix	trans	-98.9	-27.8	-175.1	-65.9	-96	0	0	0	112.3	N51 G94 M95 T96 W101	N51-F98 HydrophobicContact CB-CD1 4.16Å; N51-F98 HydrophobicContact CB-CE1 3.91Å; G94-F98 WeakPolarHBondContact O-CD2 3.33Å; G94-F98 VanDerWaalsContact O-CE2 3.25Å; G94-F98 WeakPolarHBondContact O-CE2 3.2Å; M95-F98 PolarHBondContact O-N 3.01Å; T96-F98 PolarHBondContact O-N 3.06Å; F98-W101 PolarHBondContact O-NE1 3.22Å
99	Y	84.7	Confident	83	Confident	15 Å²	15	94.8 Å²	94.8	6%	0.059	46%	0.458	C	S	.	.	H	α-helix	trans	-129.1	-6	-164.2	-67.6	-65.2	0	0	0	115.3	L52 L88 M95 T96 W101 R102 K103 M107 K109	L52-Y99 HydrophobicContact CB-CE2 4.39Å; L52-Y99 HydrophobicContact CD2-CE2 4.14Å; L52-Y99 PolarHBondContact O-OH 3.36Å; L88-Y99 HydrophobicContact CD1-CD1 4.15Å; L88-Y99 HydrophobicContact CD1-CD2 3.23Å; L88-Y99 HydrophobicContact CD1-CE1 4.25Å; L88-Y99 HydrophobicContact CD1-CE2 3.35Å; L88-Y99 HydrophobicContact CD1-CG 3.65Å; M95-Y99 PolarHBondContact O-N 2.8Å; M95-Y99 VanDerWaalsContact O-N 3.09Å; T96-Y99 PolarHBondContact O-N 2.85Å; Y99-W101 PolarHBondContact O-N 2.88Å; Y99-R102 PolarHBondContact O-N 2.87Å; Y99-K103 PolarHBondContact O-N 2.84Å; Y99-M107 HydrophobicContact CD1-CE 3.83Å; Y99-M107 HydrophobicContact CD1-SD 3.47Å; Y99-M107 WeakPolarHBondContact CD1-SD 3.39Å; Y99-M107 HydrophobicContact CE1-CE 3.76Å; Y99-M107 HydrophobicContact CE1-SD 3.36Å; Y99-M107 WeakPolarHBondContact CE1-SD 3.2Å; Y99-M107 HydrophobicContact CG-CE 4.4Å; Y99-K109 VanDerWaalsContact CE1-CE 3.45Å; Y99-K109 WeakPolarHBondContact OH-CE 3.48Å; Y99-K109 PolarHBondContact OH-NZ 2.82Å
100	E	84.7	Confident	83.6	Confident	120 Å²	120	93.3 Å²	93.3	56%	0.561	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-53.6	-40.1	-179.8	178	173.2	-162.2	0	0	112.8	T96 R102 K103	T96-E100 HydrophobicContact CG2-CB 4.1Å; T96-E100 HydrophobicContact CG2-CG 4.38Å; T96-E100 WeakPolarHBondContact O-CB 3.21Å; T96-E100 PolarHBondContact O-N 3.21Å; E100-R102 PolarHBondContact O-N 2.84Å; E100-R102 VanDerWaalsContact O-N 3.13Å; E100-K103 WeakPolarHBondContact O-CG 3.36Å; E100-K103 PolarHBondContact O-N 2.84Å
101	W	85.7	Confident	84.4	Confident	180 Å²	180	91.1 Å²	91.1	68%	0.682	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-67.1	-9.6	177.9	66.6	-81.9	0	0	0	114.6	F98 Y99	F98-W101 PolarHBondContact O-NE1 3.22Å; Y99-W101 PolarHBondContact O-N 2.88Å
102	R	84.2	Confident	85.2	Confident	114 Å²	114	83.9 Å²	83.9	43%	0.43	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-119.3	14.8	176.7	-72.7	-162	175.1	177.2	1.9	113.9	Y99 E100 D104 V105	Y99-R102 PolarHBondContact O-N 2.87Å; E100-R102 PolarHBondContact O-N 2.84Å; E100-R102 VanDerWaalsContact O-N 3.13Å; R102-D104 PolarHBondContact O-N 2.88Å; R102-V105 PolarHBondContact O-N 2.86Å; R102-V105 VanDerWaalsContact O-N 3.07Å
103	K	82.3	Confident	86.1	Confident	138 Å²	138	80 Å²	80	60%	0.6	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-33.7	-173.8	66.3	177.5	-172.1	175.4	0	114.6	L90 Y99 E100	L90-K103 HydrophobicContact CD1-CB 3.85Å; Y99-K103 PolarHBondContact O-N 2.84Å; E100-K103 WeakPolarHBondContact O-CG 3.36Å; E100-K103 PolarHBondContact O-N 2.84Å
104	D	85.3	Confident	87.5	Confident	137 Å²	137	72.4 Å²	72.4	73%	0.733	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	0.5	-174	-55	-50.2	0	0	0	113.7	R102	R102-D104 PolarHBondContact O-N 2.88Å
105	V	88.5	Confident	88.7	Confident	90 Å²	90	75.9 Å²	75.9	55%	0.545	36%	0.362	S	S	.	.	S	Bend	trans	-110.6	128.3	-175.6	-178.6	0	0	0	0	109.9	R102 M107	R102-V105 PolarHBondContact O-N 2.86Å; R102-V105 VanDerWaalsContact O-N 3.07Å; V105-M107 PolarHBondContact O-N 2.85Å
106	P	87.7	Confident	89.4	Confident	127 Å²	127	78.5 Å²	78.5	83%	0.825	38%	0.38	S	S	*	.			trans	-59.2	118	177.1	24.2	-33.4	0	0	0	110
107	M	87.6	Confident	89.8	Confident	25 Å²	25	81.4 Å²	81.4	12%	0.123	39%	0.387	C	S	.	.			trans	-99	131.8	-172.9	-168.4	173.3	60.4	0	0	111.3	V86 L88 Y99 V105 K109	V86-M107 PolarHBondContact N-O 2.82Å; L88-M107 HydrophobicContact CD1-CE 3.3Å; L88-M107 HydrophobicContact CG-CE 3.7Å; Y99-M107 HydrophobicContact CD1-CE 3.83Å; Y99-M107 HydrophobicContact CD1-SD 3.47Å; Y99-M107 WeakPolarHBondContact CD1-SD 3.39Å; Y99-M107 HydrophobicContact CE1-CE 3.76Å; Y99-M107 HydrophobicContact CE1-SD 3.36Å; Y99-M107 WeakPolarHBondContact CE1-SD 3.2Å; Y99-M107 HydrophobicContact CG-CE 4.4Å; V105-M107 PolarHBondContact O-N 2.85Å; M107-K109 HydrophobicContact CE-CG 3.76Å; M107-K109 HydrophobicContact CG-CG 4Å; M107-K109 HydrophobicContact SD-CD 4.29Å; M107-K109 WeakPolarHBondContact SD-CE 3.4Å; M107-K109 HydrophobicContact SD-CG 3.95Å
108	R	92.4	Very high	90.1	Very high	159 Å²	159	78.9 Å²	78.9	60%	0.6	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.4	166.9	-63.5	-175.5	68.4	88.1	1.6	110.2	T83 E84	T83-R108 HydrophobicContact CG2-CB 4.05Å; T83-R108 PolarHBondContact O-NH2 2.8Å; E84-R108 CarbonylContact O-C 3.54Å; E84-R108 WeakPolarHBondContact O-CA 3.34Å
109	K	93.1	Very high	90.4	Very high	42 Å²	42	81.8 Å²	81.8	18%	0.183	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.7	-177.9	-76.7	-73.3	172.7	164.2	0	111.2	V55 T83 E84 V86 Y99 M107	V55-K109 HydrophobicContact CG2-CB 3.72Å; V55-K109 HydrophobicContact CG2-CG 4.01Å; T83-K109 WeakPolarHBondContact CA-O 3.39Å; E84-K109 PolarHBondContact N-O 2.64Å; E84-K109 PolarHBondContact O-N 2.91Å; V86-K109 HydrophobicContact CG2-CB 4.01Å; Y99-K109 VanDerWaalsContact CE1-CE 3.45Å; Y99-K109 WeakPolarHBondContact OH-CE 3.48Å; Y99-K109 PolarHBondContact OH-NZ 2.82Å; M107-K109 HydrophobicContact CE-CG 3.76Å; M107-K109 HydrophobicContact CG-CG 4Å; M107-K109 HydrophobicContact SD-CD 4.29Å; M107-K109 WeakPolarHBondContact SD-CE 3.4Å; M107-K109 HydrophobicContact SD-CG 3.95Å
110	L	96.1	Very high	90.4	Very high	67 Å²	67	85.8 Å²	85.8	35%	0.351	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.8	170.3	-68.8	171.4	0	0	0	108.7	Y54 V55 I81 T82 T83	Y54-L110 WeakPolarHBondContact CA-O 3.2Å; Y54-L110 HydrophobicContact CD1-CB 3.6Å; Y54-L110 HydrophobicContact CD1-CD1 4.14Å; Y54-L110 HydrophobicContact CE1-CB 4.03Å; Y54-L110 HydrophobicContact CE1-CD1 3.67Å; V55-L110 PolarHBondContact N-O 2.87Å; I81-L110 HydrophobicContact CG2-CB 4.49Å; I81-L110 HydrophobicContact CG2-CD2 4.28Å; T82-L110 CarbonylContact O-C 3.59Å; T82-L110 VanDerWaalsContact O-CA 3.31Å; T82-L110 WeakPolarHBondContact O-CA 3.34Å; T83-L110 VanDerWaalsContact OG1-CD2 3.26Å; T83-L110 WeakPolarHBondContact OG1-CD2 3.41Å
111	C	96.5	Very high	90.4	Very high	2 Å²	2	91.7 Å²	91.7	1%	0.014	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.2	177.5	-67.2	0	0	0	0	109.5	V55 I81 T82 E84	V55-C111 WeakPolarHBondContact O-CA 3.03Å; I81-C111 WeakPolarHBondContact CA-O 3.43Å; T82-C111 PolarHBondContact N-O 2.8Å; T82-C111 VanDerWaalsContact N-O 3.12Å; T82-C111 PolarHBondContact O-N 3.27Å; E84-C111 HydrophobicContact CG-CB 4.36Å; E84-C111 PolarHBondContact OE2-SG 2.92Å; E84-C111 VanDerWaalsContact OE2-SG 3.35Å
112	F	97.3	Very high	90.6	Very high	0 Å²	0	88.5 Å²	88.5	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.8	165.2	-86.4	-97.7	0	0	0	108.7	I32 L46 V47 Y54 V55 G57 V60 L71 V79 I81	I32-F112 HydrophobicContact CD1-CZ 4.36Å; I32-F112 HydrophobicContact CG1-CZ 4.19Å; I32-F112 HydrophobicContact CG2-CE1 4.4Å; I32-F112 HydrophobicContact CG2-CZ 4.09Å; L46-F112 HydrophobicContact CB-CD1 3.9Å; L46-F112 HydrophobicContact CB-CE1 4.13Å; L46-F112 HydrophobicContact CB-CG 4.49Å; L46-F112 HydrophobicContact CD1-CB 4.01Å; L46-F112 HydrophobicContact CD1-CD1 3.99Å; L46-F112 HydrophobicContact CD1-CG 4.31Å; L46-F112 HydrophobicContact CG-CD1 4.49Å; V47-F112 HydrophobicContact CB-CE2 4.09Å; V47-F112 HydrophobicContact CB-CZ 4.06Å; V47-F112 HydrophobicContact CG1-CD2 3.93Å; V47-F112 HydrophobicContact CG1-CE2 3.62Å; V47-F112 HydrophobicContact CG1-CZ 4Å; Y54-F112 HydrophobicContact CD1-CD2 4.04Å; Y54-F112 AromaticContact CD1-CE2 3.48Å; Y54-F112 HydrophobicContact CD1-CE2 3.48Å; Y54-F112 VanDerWaalsContact CD1-CE2 3.48Å; Y54-F112 HydrophobicContact CD2-CE2 4.27Å; Y54-F112 HydrophobicContact CE1-CE2 4.04Å; Y54-F112 HydrophobicContact CG-CD2 4.09Å; Y54-F112 AromaticContact CG-CE2 3.62Å; Y54-F112 HydrophobicContact CG-CE2 3.62Å; V55-F112 PolarHBondContact O-N 3.45Å; V55-F112 VanDerWaalsContact O-N 3.1Å; G57-F112 WeakPolarHBondContact CA-O 3.36Å; G57-F112 PolarHBondContact N-O 2.92Å; V60-F112 HydrophobicContact CG2-CB 4.26Å; V60-F112 WeakPolarHBondContact CG2-O 3.4Å; L71-F112 HydrophobicContact CD1-CB 4.16Å; L71-F112 HydrophobicContact CD1-CD2 3.95Å; L71-F112 HydrophobicContact CD1-CG 4.32Å; V79-F112 HydrophobicContact CG1-CD1 3.72Å; V79-F112 HydrophobicContact CG1-CE1 4.04Å; I81-F112 HydrophobicContact CD1-CD1 4.32Å; I81-F112 HydrophobicContact CD1-CE1 3.56Å; I81-F112 HydrophobicContact CD1-CE2 4.34Å; I81-F112 HydrophobicContact CD1-CZ 3.56Å; I81-F112 HydrophobicContact CG1-CD1 3.98Å; I81-F112 HydrophobicContact CG1-CE1 3.73Å; I81-F112 HydrophobicContact CG1-CG 4.49Å; I81-F112 HydrophobicContact CG1-CZ 4.03Å
113	N	97.6	Very high	90.9	Very high	11 Å²	11	91.6 Å²	91.6	6%	0.059	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.7	174.2	-67.3	-54	0	0	0	108.9	G57 V58 V79 T80 T82 E84	G57-N113 VanDerWaalsContact CA-OD1 3.29Å; G57-N113 WeakPolarHBondContact CA-OD1 3.49Å; V58-N113 PolarHBondContact N-OD1 2.74Å; V79-N113 CarbonylContact C-O 3.58Å; V79-N113 WeakPolarHBondContact CA-O 3.26Å; T80-N113 PolarHBondContact N-O 3.01Å; T80-N113 PolarHBondContact O-N 3.29Å; T80-N113 WeakPolarHBondContact OG1-CB 3.31Å; T82-N113 PolarHBondContact OG1-ND2 3.12Å; E84-N113 PolarHBondContact OE1-ND2 2.91Å
114	V	97.8	Very high	91.3	Very high	1 Å²	1	95.6 Å²	95.6	1%	0.006	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.8	170.7	-179.3	0	0	0	0	108.4	L46 V58 N59 V60 A73 V79 P116	L46-V114 HydrophobicContact CD1-CG2 3.97Å; L46-V114 HydrophobicContact CD2-CG2 4.47Å; V58-V114 PolarHBondContact O-N 2.87Å; N59-V114 HydrophobicContact CB-CB 4.22Å; N59-V114 WeakPolarHBondContact CB-O 3.29Å; N59-V114 PolarHBondContact ND2-O 3.5Å; V60-V114 HydrophobicContact CG2-CG2 3.82Å; A73-V114 HydrophobicContact CB-CG2 3.98Å; V79-V114 HydrophobicContact CG2-CG2 4.45Å; V114-P116 WeakPolarHBondContact O-CD 3.5Å
115	I	96.6	Very high	91.5	Very high	93 Å²	93	94.2 Å²	94.2	48%	0.477	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.3	179.6	-56.4	-179.7	0	0	0	107.7	G77 I78 T80	G77-I115 CarbonylContact C-O 3.45Å; G77-I115 WeakPolarHBondContact CA-O 3.34Å; I78-I115 PolarHBondContact N-O 3.41Å; I78-I115 PolarHBondContact O-N 3.17Å; T80-I115 HydrophobicContact CG2-CD1 3.56Å; T80-I115 HydrophobicContact CG2-CG1 4.18Å
116	P	96.2	Very high	91.7	Very high	69 Å²	69	96.5 Å²	96.5	45%	0.448	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	148.7	-177.2	28.5	-32.6	0	0	0	110	D76 V114	D76-P116 WeakPolarHBondContact O-CA 3.44Å; V114-P116 WeakPolarHBondContact O-CD 3.5Å
117	K	89.5	Confident	91.9	Very high	118 Å²	118	97.9 Å²	97.9	51%	0.513	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-62.7	148.5	168	-68.3	-178.7	-176.4	172.5	0	109.5	M39 D76	M39-K117 PolarHBondContact SD-NZ 3.2Å; D76-K117 PolarHBondContact O-N 3.07Å
118	S	88.7	Confident	91.8	Very high	103 Å²	103	104.9 Å²	104.9	72%	0.72	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-53.2	126.1	172.9	54.9	0	0	0	0	109.3
119	P	85.8	Confident	91.5	Very high	106 Å²	106	108.2 Å²	108.2	69%	0.688	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-59.3	149.7	179.2	25.8	-34.2	0	0	0	109.5	R121	P119-R121 PolarHBondContact O-N 2.96Å
120	S	83.8	Confident	91.5	Very high	99 Å²	99	111.6 Å²	111.6	69%	0.692	57%	0.566	S	S	*	*			trans	-60.4	108.8	173.3	55	0	0	0	0	108.4	T122	S120-T122 PolarHBondContact O-N 2.95Å
121	R	86.1	Confident	91.2	Very high	244 Å²	244	113.9 Å²	113.9	92%	0.921	58%	0.577	S	S	*	*			trans	-70.3	13.4	175.5	-65.1	-177.4	178.9	171.9	-0.9	113	P119	P119-R121 PolarHBondContact O-N 2.96Å
122	T	90.3	Very high	90.9	Very high	113 Å²	113	120.1 Å²	120.1	69%	0.693	61%	0.609	S	S	*	*			trans	-90.5	112.6	-179.9	52.7	0	0	0	0	108.9	S120	S120-T122 PolarHBondContact O-N 2.95Å
123	F	88.8	Confident	90.5	Very high	180 Å²	180	127.2 Å²	127.2	79%	0.789	64%	0.644	S	S	*	*			trans	-91.3	129.8	164.4	179.7	-97.9	0	0	0	108.2	L125	F123-L125 HydrophobicContact CE1-CB 4.19Å; F123-L125 HydrophobicContact CE1-CD1 4.34Å
124	R	90.9	Very high	90.1	Very high	221 Å²	221	134.4 Å²	134.4	83%	0.834	68%	0.681	S	S	*	*			trans	-118.5	112.1	174	-174.4	176.7	-178.6	178.7	0.4	107.8	V126	R124-V126 PolarHBondContact O-N 3.4Å
125	L	90.9	Very high	89.6	Confident	108 Å²	108	143.3 Å²	143.3	57%	0.565	73%	0.726	S	S	*	*			trans	-64	127.3	169.3	-172.4	67.8	0	0	0	108.1	F123 E127 E128	F123-L125 HydrophobicContact CE1-CB 4.19Å; F123-L125 HydrophobicContact CE1-CD1 4.34Å; L125-E127 WeakPolarHBondContact CD1-O 3.4Å; L125-E128 HydrophobicContact CD2-CB 4.45Å
126	V	91.7	Very high	89.1	Confident	138 Å²	138	146.9 Å²	146.9	84%	0.836	74%	0.744	S	S	*	*			trans	-96.4	-35.7	178.7	178.7	0	0	0	0	110.6	R124	R124-V126 PolarHBondContact O-N 3.4Å
127	E	91.5	Very high	88.5	Confident	157 Å²	157	152.9 Å²	152.9	73%	0.734	77%	0.767	S	S	*	*			trans	-154.9	144.3	-175.7	-171.1	168.7	-161.4	0	0	109.9	L125	L125-E127 WeakPolarHBondContact CD1-O 3.4Å
128	E	86.1	Confident	88.5	Confident	171 Å²	171	155.8 Å²	155.8	80%	0.799	79%	0.788	S	S	*	*			trans	-115.6	128.2	167.7	-171.1	171.8	-171.2	0	0	106.4	L125	L125-E128 HydrophobicContact CD2-CB 4.45Å
129	I	87	Confident	88.4	Confident	230 Å²	230	160.6 Å²	160.6	100%	1.179	79%	0.794	S	S	*	*			trans	-81	0	-177.8	-59.8	171.4	0	0	0	109.7

Retrieved 129 of 129 residues in 38.9 ms (Link to these results)

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