A0A077ZLD5_TRITR Loading...

Cystatin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077ZLD5_TRITR|A0A077ZLD5
MLKVTAFLFAFTFAVSSGTLEGGWFPLDVKSEEAKRVAHKSLADRNTKSNSAYHDMLIKIVEASSQVVAGANYKLDVYIGLSNCAKKDVGRKFNRSLCLTLKFMQIDFCSHLQEVC
					

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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	41.3	Very low	54.4	Low	253 Å²	253	153.7 Å²	153.7	100%	1.246	81%	0.814	S	S	*	*				0	105.9	0	-73.7	176.5	151.8	0	0	107.6
2	L	43.7	Very low	55.6	Low	163 Å²	163	151.7 Å²	151.7	85%	0.853	81%	0.812	S	S	*	*			trans	-104.6	126.6	-172.3	175.2	68.4	0	0	0	108.3
3	K	47.2	Very low	56.6	Low	204 Å²	204	153.9 Å²	153.9	89%	0.887	81%	0.811	S	S	*	*			trans	173.8	70.5	154.5	-97.3	159.1	-178.5	176.1	0	109.8
4	V	52	Low	57.4	Low	133 Å²	133	149.9 Å²	149.9	81%	0.806	81%	0.81	S	S	*	*			trans	-138.9	101.9	161.9	-175.2	0	0	0	0	106.8
5	T	51.2	Low	58.4	Low	111 Å²	111	149 Å²	149	68%	0.681	81%	0.811	S	S	*	*			trans	-164.6	93.2	138.4	43	0	0	0	0	106.3	F7	T5-F7 HydrophobicContact CG2-CE2 4.24Å; T5-F7 PolarHBondContact O-N 3.44Å
6	A	56.3	Low	59	Low	98 Å²	98	146.4 Å²	146.4	81%	0.81	81%	0.808	S	S	*	*			trans	-64.1	83.3	161.1	0	0	0	0	0	107.8	L8	A6-L8 PolarHBondContact O-N 2.87Å
7	F	54.7	Low	59.4	Low	159 Å²	159	144.5 Å²	144.5	70%	0.697	81%	0.807	S	S	*	*			trans	-72.5	92.7	163.5	-93	-85.6	0	0	0	106.8	T5 F9	T5-F7 HydrophobicContact CG2-CE2 4.24Å; T5-F7 PolarHBondContact O-N 3.44Å; F7-F9 HydrophobicContact CB-CD2 4.16Å; F7-F9 HydrophobicContact CB-CE2 4.37Å; F7-F9 PolarHBondContact O-N 2.95Å
8	L	59.6	Low	59.4	Low	165 Å²	165	139.2 Å²	139.2	86%	0.864	79%	0.79	S	S	*	*			trans	-55.3	83.9	158.7	-77	157.3	0	0	0	107.7	A6 A10	A6-L8 PolarHBondContact O-N 2.87Å; L8-A10 PolarHBondContact O-N 3.08Å
9	F	59.2	Low	59.7	Low	161 Å²	161	138.2 Å²	138.2	71%	0.706	79%	0.787	S	S	*	*			trans	-69.3	89.6	162.7	-98.3	-92.3	0	0	0	106.3	F7 F11	F7-F9 HydrophobicContact CB-CD2 4.16Å; F7-F9 HydrophobicContact CB-CE2 4.37Å; F7-F9 PolarHBondContact O-N 2.95Å; F9-F11 HydrophobicContact CB-CD2 4.31Å; F9-F11 PolarHBondContact O-N 2.91Å
10	A	63.1	Low	59.8	Low	86 Å²	86	138.2 Å²	138.2	71%	0.711	78%	0.784	S	S	*	*			trans	-60.7	89.1	161.3	0	0	0	0	0	107	L8 T12	L8-A10 PolarHBondContact O-N 3.08Å; A10-T12 VanDerWaalsContact C-N 3.28Å; A10-T12 PolarHBondContact O-N 3.06Å
11	F	69.8	Low	60.1	Low	158 Å²	158	139 Å²	139	69%	0.693	78%	0.781	S	S	*	*			trans	-63.3	96.7	167	-105	-98.7	0	0	0	106.6	F9 F13	F9-F11 HydrophobicContact CB-CD2 4.31Å; F9-F11 PolarHBondContact O-N 2.91Å; F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 HydrophobicContact CB-CE2 4.39Å; F11-F13 WeakPolarHBondContact O-CD2 3.43Å; F11-F13 PolarHBondContact O-N 3.37Å
12	T	68.6	Low	62	Low	129 Å²	129	128.8 Å²	128.8	79%	0.791	74%	0.741	S	S	*	*			trans	-65.3	96.7	164.5	42.1	0	0	0	0	106.5	A10 A14	A10-T12 VanDerWaalsContact C-N 3.28Å; A10-T12 PolarHBondContact O-N 3.06Å; T12-A14 PolarHBondContact O-N 2.92Å
13	F	69	Low	64.2	Low	181 Å²	181	122.3 Å²	122.3	79%	0.794	71%	0.714	S	S	*	*			trans	-62	105.4	167	-69.2	-84.9	0	0	0	106.7	F11 V15	F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 HydrophobicContact CB-CE2 4.39Å; F11-F13 WeakPolarHBondContact O-CD2 3.43Å; F11-F13 PolarHBondContact O-N 3.37Å; F13-V15 PolarHBondContact O-N 3.4Å
14	A	67.8	Low	66.3	Low	97 Å²	97	117.4 Å²	117.4	80%	0.802	69%	0.689	S	S	*	*			trans	-61.8	103.7	166.1	0	0	0	0	0	106.7	T12 S16	T12-A14 PolarHBondContact O-N 2.92Å; A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 3.43Å
15	V	72.5	Confident	68.3	Low	137 Å²	137	115.6 Å²	115.6	83%	0.83	67%	0.671	S	S	*	*			trans	-67.2	94.3	170.3	178	0	0	0	0	106.1	F13 S17	F13-V15 PolarHBondContact O-N 3.4Å; V15-S17 PolarHBondContact O-N 2.9Å
16	S	68.5	Low	70.4	Confident	107 Å²	107	116.2 Å²	116.2	75%	0.748	68%	0.677	S	S	*	*			trans	-66.5	110.2	168.2	175.3	0	0	0	0	107.3	A14 G18	A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 3.43Å; S16-G18 PolarHBondContact O-N 3.47Å
17	S	64.8	Low	72.3	Confident	115 Å²	115	112.8 Å²	112.8	80%	0.804	65%	0.645	S	S	*	*			trans	-73.7	65.1	166.7	59	0	0	0	0	109	V15 T19	V15-S17 PolarHBondContact O-N 2.9Å; S17-T19 PolarHBondContact O-N 3.22Å
18	G	60.2	Low	74.4	Confident	48 Å²	48	109.8 Å²	109.8	50%	0.495	64%	0.636	S	S	.	*			trans	-63	126.9	165.4	0	0	0	0	0	108.1	S16 L20	S16-G18 PolarHBondContact O-N 3.47Å; G18-L20 PolarHBondContact O-N 3.11Å
19	T	64	Low	76.3	Confident	120 Å²	120	104.2 Å²	104.2	74%	0.736	61%	0.609	S	S	*	*			trans	-57.1	114.3	163.9	44.5	0	0	0	0	106.9	S17 E21	S17-T19 PolarHBondContact O-N 3.22Å; T19-E21 VanDerWaalsContact C-N 3.29Å; T19-E21 PolarHBondContact O-N 2.84Å
20	L	62.3	Low	78.1	Confident	138 Å²	138	104 Å²	104	72%	0.723	61%	0.608	S	S	*	*			trans	-65.8	92	176.4	-70.9	166.3	0	0	0	108.3	G18 F25	G18-L20 PolarHBondContact O-N 3.11Å; L20-F25 HydrophobicContact CB-CZ 4.19Å; L20-F25 VanDerWaalsContact O-CE2 3.25Å; L20-F25 WeakPolarHBondContact O-CE2 3.28Å; L20-F25 WeakPolarHBondContact O-CZ 3.43Å
21	E	67.4	Low	79.8	Confident	156 Å²	156	101.2 Å²	101.2	73%	0.729	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	139.7	172.9	-66.6	-176	167.7	0	0	109.5	T19	T19-E21 VanDerWaalsContact C-N 3.29Å; T19-E21 PolarHBondContact O-N 2.84Å
22	G	80.3	Confident	81.1	Confident	38 Å²	38	100.1 Å²	100.1	39%	0.392	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	91.5	-5.8	-178.3	0	0	0	0	0	116.4	Q66 V67	G22-Q66 PolarHBondContact O-NE2 3.14Å; G22-V67 WeakPolarHBondContact CA-O 3.34Å; G22-V67 PolarHBondContact N-O 2.96Å
23	G	88.9	Confident	82.4	Confident	28 Å²	28	97.5 Å²	97.5	29%	0.289	56%	0.559	S	S	.	*	S	Bend	trans	-86	154.4	171.5	0	0	0	0	0	113.7	F25 Q66	G23-F25 VanDerWaalsContact O-CD2 3.27Å; G23-F25 WeakPolarHBondContact O-CD2 3.5Å; G23-F25 WeakPolarHBondContact O-CE2 3.04Å; G23-Q66 WeakPolarHBondContact O-CA 3.39Å; G23-Q66 WeakPolarHBondContact O-CB 3.44Å; G23-Q66 WeakPolarHBondContact O-CG 3.42Å
24	W	92.1	Very high	83.8	Confident	100 Å²	100	88.9 Å²	88.9	38%	0.379	52%	0.521	S	S	.	.			trans	-78.7	125.8	165.3	-73	101.3	0	0	0	109.9	Q66 N72 K74	W24-Q66 HydrophobicContact CD2-CB 3.94Å; W24-Q66 HydrophobicContact CE3-CB 3.86Å; W24-Q66 HydrophobicContact CG-CB 4.47Å; W24-Q66 HydrophobicContact CH2-CB 4.4Å; W24-Q66 HydrophobicContact CZ2-CB 4.47Å; W24-Q66 HydrophobicContact CZ3-CB 4.1Å; W24-N72 HydrophobicContact CH2-CB 3.68Å; W24-N72 HydrophobicContact CZ2-CB 4.31Å; W24-N72 HydrophobicContact CZ3-CB 4.29Å; W24-K74 HydrophobicContact CD2-CD 4Å; W24-K74 HydrophobicContact CE3-CB 4.4Å; W24-K74 HydrophobicContact CE3-CD 4.08Å; W24-K74 HydrophobicContact CE3-CG 4.31Å; W24-K74 HydrophobicContact CH2-CB 4.18Å; W24-K74 HydrophobicContact CH2-CD 3.74Å; W24-K74 HydrophobicContact CH2-CG 3.5Å; W24-K74 VanDerWaalsContact CH2-CG 3.5Å; W24-K74 HydrophobicContact CZ2-CD 3.65Å; W24-K74 VanDerWaalsContact CZ2-CE 3.4Å; W24-K74 HydrophobicContact CZ2-CG 3.91Å; W24-K74 HydrophobicContact CZ3-CB 3.91Å; W24-K74 HydrophobicContact CZ3-CD 3.96Å; W24-K74 HydrophobicContact CZ3-CG 3.73Å
25	F	93.4	Very high	85.2	Confident	96 Å²	96	88 Å²	88	42%	0.421	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.5	175.1	-66.5	-88.3	0	0	0	110.5	L20 G23 L27 S64 S65	L20-F25 HydrophobicContact CB-CZ 4.19Å; L20-F25 VanDerWaalsContact O-CE2 3.25Å; L20-F25 WeakPolarHBondContact O-CE2 3.28Å; L20-F25 WeakPolarHBondContact O-CZ 3.43Å; G23-F25 VanDerWaalsContact O-CD2 3.27Å; G23-F25 WeakPolarHBondContact O-CD2 3.5Å; G23-F25 WeakPolarHBondContact O-CE2 3.04Å; F25-L27 PolarHBondContact O-N 3.49Å; F25-S64 CarbonylContact O-C 3.59Å; F25-S64 WeakPolarHBondContact O-CA 3.32Å; F25-S64 WeakPolarHBondContact O-CB 3.08Å; F25-S65 PolarHBondContact N-O 3.42Å; F25-S65 PolarHBondContact O-N 2.03Å
26	P	96.7	Very high	86.3	Confident	124 Å²	124	87.2 Å²	87.2	81%	0.805	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	133.2	170.9	-24.2	34.2	0	0	0	111.3
27	L	96.4	Very high	87.6	Confident	25 Å²	25	82.4 Å²	82.4	13%	0.131	45%	0.447	C	S	.	.			trans	-109.6	133.5	172.6	179.3	65.5	0	0	0	107.9	F25 V29 E33 A34 A63 Y73	F25-L27 PolarHBondContact O-N 3.49Å; L27-V29 PolarHBondContact O-N 2.98Å; L27-V29 VanDerWaalsContact O-N 3.17Å; L27-E33 HydrophobicContact CD2-CB 4.45Å; L27-E33 HydrophobicContact CD2-CG 4.14Å; L27-A34 HydrophobicContact CD2-CB 4.03Å; L27-A34 HydrophobicContact CG-CB 4.35Å; L27-A63 HydrophobicContact CB-CB 3.99Å; L27-A63 HydrophobicContact CD2-CB 4.29Å; L27-A63 HydrophobicContact CG-CB 4.34Å; L27-A63 PolarHBondContact N-O 2.91Å; L27-Y73 HydrophobicContact CD2-CD1 4.13Å; L27-Y73 HydrophobicContact CD2-CE1 4.3Å
28	D	98.2	Very high	89.1	Confident	97 Å²	97	77 Å²	77	52%	0.519	41%	0.409	S	S	.	.			trans	-61.3	121.8	177.4	176.3	13.8	0	0	0	110.1	K30 S31 A34	D28-K30 PolarHBondContact O-N 3.19Å; D28-K30 VanDerWaalsContact O-N 3.14Å; D28-K30 PolarHBondContact OD1-N 3.46Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 2.83Å; D28-S31 PolarHBondContact O-OG 3.37Å; D28-A34 WeakPolarHBondContact O-CB 3.27Å
29	V	98.5	Very high	90.8	Very high	47 Å²	47	79.3 Å²	79.3	29%	0.285	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20	178.1	-59	0	0	0	0	113.1	L27 I60 A63	L27-V29 PolarHBondContact O-N 2.98Å; L27-V29 VanDerWaalsContact O-N 3.17Å; V29-I60 HydrophobicContact CB-CB 4.26Å; V29-I60 HydrophobicContact CB-CG2 3.95Å; V29-I60 HydrophobicContact CG1-CG2 3.85Å; V29-A63 HydrophobicContact CG1-CB 4.24Å
30	K	98.3	Very high	92.2	Very high	158 Å²	158	79.6 Å²	79.6	69%	0.687	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.1	175.6	-60.9	-179.6	-178	175.8	0	113.3	D28 K35	D28-K30 PolarHBondContact O-N 3.19Å; D28-K30 VanDerWaalsContact O-N 3.14Å; D28-K30 PolarHBondContact OD1-N 3.46Å; K30-K35 WeakPolarHBondContact O-CE 3.48Å; K30-K35 PolarHBondContact O-NZ 3.26Å; K30-K35 VanDerWaalsContact O-NZ 3.11Å
31	S	98.2	Very high	93.7	Very high	27 Å²	27	73.9 Å²	73.9	19%	0.189	37%	0.37	C	S	.	.	S	Bend	trans	-62.9	149.5	179.5	69.4	0	0	0	0	111.7	D28 E33 A34 K35	D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 2.83Å; D28-S31 PolarHBondContact O-OG 3.37Å; S31-E33 PolarHBondContact O-N 3.47Å; S31-A34 PolarHBondContact O-N 2.78Å; S31-A34 WeakPolarHBondContact OG-CB 3.24Å; S31-A34 PolarHBondContact OG-N 2.9Å; S31-A34 VanDerWaalsContact OG-N 3.09Å; S31-K35 WeakPolarHBondContact O-CG 3.26Å; S31-K35 PolarHBondContact O-N 3.49Å; S31-K35 VanDerWaalsContact O-N 3.16Å
32	E	98	Very high	95	Very high	134 Å²	134	66.7 Å²	66.7	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-61.7	-28.9	174	-65.8	-52	119.5	0	0	112	K35 R36	E32-K35 IonicContact OE1-NZ 3.34Å; E32-K35 PolarHBondContact OE1-NZ 2.76Å; E32-R36 WeakPolarHBondContact O-CB 3.37Å; E32-R36 PolarHBondContact O-N 3.11Å
33	E	95.7	Very high	95.6	Very high	75 Å²	75	67.3 Å²	67.3	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-49.3	175.6	-174.5	166.7	-142.8	0	0	112.4	L27 S31 K35 R36 V37 Y73	L27-E33 HydrophobicContact CD2-CB 4.45Å; L27-E33 HydrophobicContact CD2-CG 4.14Å; S31-E33 PolarHBondContact O-N 3.47Å; E33-K35 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 3.07Å; E33-R36 PolarHBondContact O-N 2.81Å; E33-R36 IonicContact OE1-NH2 3.08Å; E33-V37 WeakPolarHBondContact O-CG2 3.24Å; E33-V37 PolarHBondContact O-N 3.22Å; E33-Y73 HydrophobicContact CG-CE1 3.7Å; E33-Y73 VanDerWaalsContact OE1-CE1 3.31Å; E33-Y73 WeakPolarHBondContact OE1-CE1 3.19Å; E33-Y73 VanDerWaalsContact OE1-CZ 3.3Å; E33-Y73 PolarHBondContact OE1-OH 3.14Å
34	A	97	Very high	95.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-44.3	176.4	0	0	0	0	0	111.4	L27 D28 S31 V37 A38 I60 A63 L75	L27-A34 HydrophobicContact CD2-CB 4.03Å; L27-A34 HydrophobicContact CG-CB 4.35Å; D28-A34 WeakPolarHBondContact O-CB 3.27Å; S31-A34 PolarHBondContact O-N 2.78Å; S31-A34 WeakPolarHBondContact OG-CB 3.24Å; S31-A34 PolarHBondContact OG-N 2.9Å; S31-A34 VanDerWaalsContact OG-N 3.09Å; A34-V37 PolarHBondContact O-N 3.02Å; A34-A38 WeakPolarHBondContact O-CB 3.2Å; A34-A38 PolarHBondContact O-N 2.97Å; A34-I60 HydrophobicContact CB-CD1 4.25Å; A34-A63 HydrophobicContact CB-CB 4.11Å; A34-L75 WeakPolarHBondContact O-CD2 3.06Å
35	K	97.8	Very high	95.8	Very high	77 Å²	77	68 Å²	68	34%	0.335	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-47.7	175.6	-66.5	173.3	-164.3	159.5	0	111.7	K30 S31 E32 E33 V37 A38 H39	K30-K35 WeakPolarHBondContact O-CE 3.48Å; K30-K35 PolarHBondContact O-NZ 3.26Å; K30-K35 VanDerWaalsContact O-NZ 3.11Å; S31-K35 WeakPolarHBondContact O-CG 3.26Å; S31-K35 PolarHBondContact O-N 3.49Å; S31-K35 VanDerWaalsContact O-N 3.16Å; E32-K35 IonicContact OE1-NZ 3.34Å; E32-K35 PolarHBondContact OE1-NZ 2.76Å; E33-K35 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 3.07Å; K35-V37 VanDerWaalsContact C-N 3.34Å; K35-V37 PolarHBondContact O-N 2.65Å; K35-A38 PolarHBondContact O-N 2.85Å; K35-H39 WeakPolarHBondContact O-CB 3.25Å; K35-H39 PolarHBondContact O-CD2 3.1Å; K35-H39 PolarHBondContact O-N 2.87Å
36	R	96.7	Very high	95.8	Very high	121 Å²	121	64.2 Å²	64.2	46%	0.457	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-47	179.3	-179.5	-172.3	61.8	71.1	-1.3	111.1	E32 E33 K40 Y73	E32-R36 WeakPolarHBondContact O-CB 3.37Å; E32-R36 PolarHBondContact O-N 3.11Å; E33-R36 PolarHBondContact O-N 2.81Å; E33-R36 IonicContact OE1-NH2 3.08Å; R36-K40 WeakPolarHBondContact O-CB 3.15Å; R36-K40 PolarHBondContact O-N 2.9Å; R36-Y73 PolarHBondContact NH2-OH 2.84Å; R36-Y73 VanDerWaalsContact NH2-OH 3.08Å
37	V	94.9	Very high	95.5	Very high	7 Å²	7	64 Å²	64	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-67.1	-45.4	179.7	-179.6	0	0	0	0	110.8	E33 A34 K35 H39 K40 S41 Y73 L75	E33-V37 WeakPolarHBondContact O-CG2 3.24Å; E33-V37 PolarHBondContact O-N 3.22Å; A34-V37 PolarHBondContact O-N 3.02Å; K35-V37 VanDerWaalsContact C-N 3.34Å; K35-V37 PolarHBondContact O-N 2.65Å; V37-H39 VanDerWaalsContact C-N 3.35Å; V37-H39 PolarHBondContact O-N 3.27Å; V37-K40 PolarHBondContact O-N 2.72Å; V37-S41 WeakPolarHBondContact O-CB 3.17Å; V37-S41 PolarHBondContact O-N 3.13Å; V37-S41 PolarHBondContact O-OG 2.81Å; V37-S41 VanDerWaalsContact O-OG 3.14Å; V37-Y73 HydrophobicContact CB-CG 4.42Å; V37-Y73 HydrophobicContact CG1-CD2 4.2Å; V37-Y73 HydrophobicContact CG1-CG 4Å; V37-Y73 HydrophobicContact CG2-CD1 3.87Å; V37-Y73 HydrophobicContact CG2-CD2 3.77Å; V37-Y73 HydrophobicContact CG2-CE1 3.95Å; V37-Y73 HydrophobicContact CG2-CE2 3.85Å; V37-Y73 HydrophobicContact CG2-CG 3.76Å; V37-L75 HydrophobicContact CB-CD1 4.04Å; V37-L75 HydrophobicContact CB-CD2 4.36Å; V37-L75 HydrophobicContact CG1-CD1 3.41Å; V37-L75 VanDerWaalsContact CG1-CD1 3.41Å; V37-L75 HydrophobicContact CG1-CD2 4.39Å
38	A	96	Very high	95.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-45.1	177	0	0	0	0	0	112.6	A34 K35 L42 L57 I60 L75	A34-A38 WeakPolarHBondContact O-CB 3.2Å; A34-A38 PolarHBondContact O-N 2.97Å; K35-A38 PolarHBondContact O-N 2.85Å; A38-L42 VanDerWaalsContact O-CB 3.27Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 PolarHBondContact O-N 2.92Å; A38-L57 HydrophobicContact CB-CD1 4.31Å; A38-L57 HydrophobicContact CB-CD2 3.7Å; A38-I60 HydrophobicContact CB-CD1 3.62Å; A38-I60 HydrophobicContact CB-CG1 3.91Å; A38-L75 HydrophobicContact CB-CD2 3.63Å
39	H	95.5	Very high	95.1	Very high	98 Å²	98	66.9 Å²	66.9	45%	0.454	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-40.3	177.8	-76.9	-60.4	0	0	0	112.6	K35 V37 A43	K35-H39 WeakPolarHBondContact O-CB 3.25Å; K35-H39 PolarHBondContact O-CD2 3.1Å; K35-H39 PolarHBondContact O-N 2.87Å; V37-H39 VanDerWaalsContact C-N 3.35Å; V37-H39 PolarHBondContact O-N 3.27Å; H39-A43 WeakPolarHBondContact O-CB 3.49Å; H39-A43 PolarHBondContact O-N 3.08Å
40	K	94.2	Very high	94.9	Very high	126 Å²	126	72.9 Å²	72.9	55%	0.548	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-51.1	175.9	-178.1	173.2	177.9	174.4	0	111.3	R36 V37 L42 A43 D44	R36-K40 WeakPolarHBondContact O-CB 3.15Å; R36-K40 PolarHBondContact O-N 2.9Å; V37-K40 PolarHBondContact O-N 2.72Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 2.75Å; K40-A43 WeakPolarHBondContact O-CB 3.38Å; K40-A43 PolarHBondContact O-N 3.17Å; K40-A43 VanDerWaalsContact O-N 3.08Å; K40-D44 PolarHBondContact O-N 3.38Å
41	S	94	Very high	94.7	Very high	18 Å²	18	67 Å²	67	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-38.5	179	-61.4	0	0	0	0	112.2	V37 D44 R45 F108	V37-S41 WeakPolarHBondContact O-CB 3.17Å; V37-S41 PolarHBondContact O-N 3.13Å; V37-S41 PolarHBondContact O-OG 2.81Å; V37-S41 VanDerWaalsContact O-OG 3.14Å; S41-D44 PolarHBondContact O-N 3.43Å; S41-R45 WeakPolarHBondContact O-CB 3.37Å; S41-R45 PolarHBondContact O-N 2.92Å; S41-F108 VanDerWaalsContact CB-CD2 3.42Å; S41-F108 VanDerWaalsContact CB-CG 3.47Å
42	L	93.9	Very high	94.4	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-67.6	-38	174.5	-177.8	64.8	0	0	0	112.7	A38 K40 N46 D55 L57 I79 F108	A38-L42 VanDerWaalsContact O-CB 3.27Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 PolarHBondContact O-N 2.92Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 2.75Å; L42-N46 WeakPolarHBondContact O-CB 3.32Å; L42-N46 PolarHBondContact O-N 3.42Å; L42-N46 PolarHBondContact O-ND2 3.12Å; L42-N46 VanDerWaalsContact O-ND2 3.1Å; L42-D55 HydrophobicContact CD1-CB 3.72Å; L42-L57 HydrophobicContact CD2-CB 3.69Å; L42-I79 HydrophobicContact CD1-CG2 4.1Å; L42-F108 HydrophobicContact CB-CE2 4.19Å; L42-F108 HydrophobicContact CB-CZ 4.27Å; L42-F108 HydrophobicContact CD1-CZ 4.26Å
43	A	92.8	Very high	94.2	Very high	51 Å²	51	67.2 Å²	67.2	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-43	174.9	0	0	0	0	0	111.2	H39 K40 N46 T47	H39-A43 WeakPolarHBondContact O-CB 3.49Å; H39-A43 PolarHBondContact O-N 3.08Å; K40-A43 WeakPolarHBondContact O-CB 3.38Å; K40-A43 PolarHBondContact O-N 3.17Å; K40-A43 VanDerWaalsContact O-N 3.08Å; A43-N46 PolarHBondContact O-N 3.05Å; A43-T47 WeakPolarHBondContact O-CB 3.38Å; A43-T47 PolarHBondContact O-N 3.34Å; A43-T47 PolarHBondContact O-OG1 3.11Å
44	D	92.8	Very high	94	Very high	69 Å²	69	65.6 Å²	65.6	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.8	-70.3	-14.4	0	0	0	110.8	K40 S41 N46 T47 K48	K40-D44 PolarHBondContact O-N 3.38Å; S41-D44 PolarHBondContact O-N 3.43Å; D44-N46 VanDerWaalsContact C-N 3.34Å; D44-N46 PolarHBondContact O-N 3.38Å; D44-T47 WeakPolarHBondContact O-CB 3.1Å; D44-T47 PolarHBondContact O-N 2.73Å; D44-T47 VanDerWaalsContact O-N 3.13Å; D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 WeakPolarHBondContact O-CG 3.46Å; D44-K48 PolarHBondContact O-N 2.85Å
45	R	92.8	Very high	93.9	Very high	73 Å²	73	66 Å²	66	28%	0.275	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-45.1	173.9	176.6	176.8	169.5	88.9	1.7	112	S41 T47 K48 S49 D55	S41-R45 WeakPolarHBondContact O-CB 3.37Å; S41-R45 PolarHBondContact O-N 2.92Å; R45-T47 VanDerWaalsContact C-N 3.25Å; R45-T47 PolarHBondContact O-N 2.72Å; R45-K48 PolarHBondContact O-N 2.87Å; R45-S49 WeakPolarHBondContact O-CB 3.27Å; R45-S49 PolarHBondContact O-N 3.27Å; R45-D55 IonicContact CZ-OD2 2.73Å; R45-D55 IonicContact NE-OD2 3.88Å; R45-D55 PolarHBondContact NE-OD2 3.44Å; R45-D55 IonicContact NH2-OD2 2.72Å; R45-D55 PolarHBondContact NH2-OD2 2.84Å; R45-D55 VanDerWaalsContact NH2-OD2 3.08Å
46	N	92.9	Very high	93.7	Very high	18 Å²	18	63.4 Å²	63.4	10%	0.096	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-30.6	177.9	-87.2	-48.8	0	0	0	112.8	L42 A43 D44 H54 D55 K86	L42-N46 WeakPolarHBondContact O-CB 3.32Å; L42-N46 PolarHBondContact O-N 3.42Å; L42-N46 PolarHBondContact O-ND2 3.12Å; L42-N46 VanDerWaalsContact O-ND2 3.1Å; A43-N46 PolarHBondContact O-N 3.05Å; D44-N46 VanDerWaalsContact C-N 3.34Å; D44-N46 PolarHBondContact O-N 3.38Å; N46-H54 WeakPolarHBondContact OD1-CA 3.34Å; N46-D55 PolarHBondContact ND2-O 2.89Å; N46-D55 PolarHBondContact OD1-N 3.08Å; N46-K86 VanDerWaalsContact O-CE 3.24Å; N46-K86 WeakPolarHBondContact O-CE 3.36Å; N46-K86 PolarHBondContact O-NZ 2.9Å
47	T	92	Very high	93.7	Very high	119 Å²	119	59.5 Å²	59.5	73%	0.73	32%	0.315	S	S	*	.	H	α-helix	trans	-74.8	-40.6	176.1	-56.4	0	0	0	0	111.5	A43 D44 R45	A43-T47 WeakPolarHBondContact O-CB 3.38Å; A43-T47 PolarHBondContact O-N 3.34Å; A43-T47 PolarHBondContact O-OG1 3.11Å; D44-T47 WeakPolarHBondContact O-CB 3.1Å; D44-T47 PolarHBondContact O-N 2.73Å; D44-T47 VanDerWaalsContact O-N 3.13Å; R45-T47 VanDerWaalsContact C-N 3.25Å; R45-T47 PolarHBondContact O-N 2.72Å
48	K	92.4	Very high	93.7	Very high	146 Å²	146	62.7 Å²	62.7	64%	0.635	33%	0.332	S	S	*	.	H	α-helix	trans	-84.9	-28.4	-175.3	-66.4	173.7	-178.6	179.5	0	114.3	D44 R45	D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 WeakPolarHBondContact O-CG 3.46Å; D44-K48 PolarHBondContact O-N 2.85Å; R45-K48 PolarHBondContact O-N 2.87Å
49	S	92.2	Very high	93.6	Very high	37 Å²	37	68.5 Å²	68.5	26%	0.259	36%	0.357	S	S	.	.			trans	-72.8	136.3	-176.8	168.4	0	0	0	0	112.1	R45 S51 K86	R45-S49 WeakPolarHBondContact O-CB 3.27Å; R45-S49 PolarHBondContact O-N 3.27Å; S49-S51 PolarHBondContact O-N 3.46Å; S49-S51 VanDerWaalsContact O-N 3.17Å; S49-S51 WeakPolarHBondContact OG-CB 3.37Å; S49-S51 PolarHBondContact OG-N 2.81Å; S49-S51 VanDerWaalsContact OG-N 3.12Å; S49-K86 PolarHBondContact O-NZ 3.39Å
50	N	94.5	Very high	93.8	Very high	173 Å²	173	64.8 Å²	64.8	93%	0.925	34%	0.34	S	S	*	.			trans	-72.8	2.6	172.9	-68.6	-25	0	0	0	114.1	A52	N50-A52 PolarHBondContact O-N 2.88Å
51	S	93.8	Very high	94	Very high	33 Å²	33	60.9 Å²	60.9	23%	0.231	33%	0.327	C	S	.	.			trans	-59.7	135.9	175.1	178.2	0	0	0	0	111.3	S49 Y53 K86	S49-S51 PolarHBondContact O-N 3.46Å; S49-S51 VanDerWaalsContact O-N 3.17Å; S49-S51 WeakPolarHBondContact OG-CB 3.37Å; S49-S51 PolarHBondContact OG-N 2.81Å; S49-S51 VanDerWaalsContact OG-N 3.12Å; S51-Y53 WeakPolarHBondContact CB-O 3.15Å; S51-Y53 PolarHBondContact O-N 3.33Å; S51-Y53 PolarHBondContact OG-N 2.91Å; S51-Y53 VanDerWaalsContact OG-N 3.11Å; S51-Y53 PolarHBondContact OG-O 2.86Å; S51-K86 VanDerWaalsContact O-CD 3.25Å; S51-K86 WeakPolarHBondContact O-CD 3.32Å; S51-K86 WeakPolarHBondContact O-CE 3.23Å; S51-K86 PolarHBondContact O-NZ 2.83Å; S51-K86 VanDerWaalsContact O-NZ 3.07Å
52	A	93.2	Very high	94.1	Very high	66 Å²	66	66.3 Å²	66.3	55%	0.545	35%	0.35	S	S	.	.	S	Bend	trans	-68.6	-19	171.7	0	0	0	0	0	113	N50 A85 K86	N50-A52 PolarHBondContact O-N 2.88Å; A52-A85 CarbonylContact O-C 3.53Å; A52-A85 WeakPolarHBondContact O-CA 3.4Å; A52-K86 PolarHBondContact O-N 2.91Å
53	Y	93	Very high	94.3	Very high	100 Å²	100	66.6 Å²	66.6	39%	0.392	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.1	-176.2	-54.8	-81.2	0	0	0	112.1	S51 S82 N83 C84 A85 K86	S51-Y53 WeakPolarHBondContact CB-O 3.15Å; S51-Y53 PolarHBondContact O-N 3.33Å; S51-Y53 PolarHBondContact OG-N 2.91Å; S51-Y53 VanDerWaalsContact OG-N 3.11Å; S51-Y53 PolarHBondContact OG-O 2.86Å; Y53-S82 WeakPolarHBondContact CB-O 3.44Å; Y53-N83 WeakPolarHBondContact CD1-O 3.34Å; Y53-C84 CarbonylContact C-O 3.54Å; Y53-C84 VanDerWaalsContact CA-O 3.27Å; Y53-C84 WeakPolarHBondContact CA-O 3.32Å; Y53-A85 HydrophobicContact CD1-CB 4.23Å; Y53-A85 HydrophobicContact CE1-CB 4.31Å; Y53-K86 WeakPolarHBondContact O-CE 3.46Å
54	H	92.9	Very high	94.4	Very high	42 Å²	42	65.4 Å²	65.4	19%	0.194	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.1	175.4	-73.3	-77.3	0	0	0	111.7	N46 S82 C84 F93	N46-H54 WeakPolarHBondContact OD1-CA 3.34Å; H54-S82 VanDerWaalsContact O-CB 3.26Å; H54-S82 WeakPolarHBondContact O-CB 3.31Å; H54-S82 PolarHBondContact O-N 3.34Å; H54-S82 PolarHBondContact O-OG 2.75Å; H54-C84 PolarHBondContact CD2-O 2.89Å; H54-C84 PolarHBondContact N-O 2.69Å; H54-F93 AromaticContact CD2-CE2 3.53Å; H54-F93 AromaticContact NE2-CE2 3.92Å
55	D	94.6	Very high	94.5	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.043	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.6	157.1	-70.2	-28.6	0	0	0	109.5	L42 R45 N46 I79 G80	L42-D55 HydrophobicContact CD1-CB 3.72Å; R45-D55 IonicContact CZ-OD2 2.73Å; R45-D55 IonicContact NE-OD2 3.88Å; R45-D55 PolarHBondContact NE-OD2 3.44Å; R45-D55 IonicContact NH2-OD2 2.72Å; R45-D55 PolarHBondContact NH2-OD2 2.84Å; R45-D55 VanDerWaalsContact NH2-OD2 3.08Å; N46-D55 PolarHBondContact ND2-O 2.89Å; N46-D55 PolarHBondContact OD1-N 3.08Å; D55-I79 HydrophobicContact CB-CD1 4.12Å; D55-G80 CarbonylContact C-O 3.5Å; D55-G80 WeakPolarHBondContact CA-O 3.45Å
56	M	93.8	Very high	94.4	Very high	23 Å²	23	61.4 Å²	61.4	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.8	179.2	-73.8	-178.2	43.8	0	0	111.2	I58 I79 G80 R95 C98	M56-I58 PolarHBondContact O-N 2.92Å; M56-I79 CarbonylContact O-C 3.52Å; M56-I79 WeakPolarHBondContact O-CA 3.48Å; M56-I79 WeakPolarHBondContact O-CB 3.01Å; M56-G80 PolarHBondContact N-O 3.28Å; M56-G80 PolarHBondContact O-N 2.89Å; M56-R95 HydrophobicContact CE-CG 4.19Å; M56-C98 HydrophobicContact CE-CB 4.28Å; M56-C98 HydrophobicContact SD-CB 3.28Å; M56-C98 WeakPolarHBondContact SD-CB 3.11Å
57	L	94.7	Very high	94.3	Very high	38 Å²	38	64.3 Å²	64.3	20%	0.199	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.7	173.9	-173.2	64.1	0	0	0	108.7	A38 L42 I60 V77	A38-L57 HydrophobicContact CB-CD1 4.31Å; A38-L57 HydrophobicContact CB-CD2 3.7Å; L42-L57 HydrophobicContact CD2-CB 3.69Å; L57-I60 HydrophobicContact CD2-CG1 4.37Å; L57-V77 HydrophobicContact CD1-CB 3.87Å; L57-V77 HydrophobicContact CD1-CG1 4.04Å; L57-V77 HydrophobicContact CD1-CG2 4.29Å
58	I	94.9	Very high	94.1	Very high	75 Å²	75	62 Å²	62	39%	0.385	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-48.5	177.4	-56.8	-60.2	0	0	0	110	M56 Y78 F103	M56-I58 PolarHBondContact O-N 2.92Å; I58-Y78 WeakPolarHBondContact CB-O 3.32Å; I58-Y78 PolarHBondContact N-O 2.89Å; I58-F103 HydrophobicContact CD1-CD1 4.28Å; I58-F103 HydrophobicContact CD1-CE1 3.79Å; I58-F103 HydrophobicContact CG1-CD1 3.84Å; I58-F103 HydrophobicContact CG1-CE1 3.85Å; I58-F103 HydrophobicContact CG2-CD1 4.39Å; I58-F103 HydrophobicContact CG2-CE1 4.21Å
59	K	95.9	Very high	93.8	Very high	122 Å²	122	60.5 Å²	60.5	53%	0.53	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	141.1	-177.5	177.9	176.6	176.7	-171.2	0	110.8	V77 Y78	K59-V77 CarbonylContact O-C 3.59Å; K59-V77 VanDerWaalsContact O-CA 3.32Å; K59-V77 WeakPolarHBondContact O-CA 3.37Å; K59-Y78 HydrophobicContact CB-CD2 4.31Å; K59-Y78 PolarHBondContact N-O 3.08Å; K59-Y78 PolarHBondContact O-N 3.42Å
60	I	98.2	Very high	93.6	Very high	20 Å²	20	61 Å²	61	10%	0.103	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.7	162.5	-54.5	172.1	0	0	0	106.9	V29 A34 A38 L57 A63 L75 V77	V29-I60 HydrophobicContact CB-CB 4.26Å; V29-I60 HydrophobicContact CB-CG2 3.95Å; V29-I60 HydrophobicContact CG1-CG2 3.85Å; A34-I60 HydrophobicContact CB-CD1 4.25Å; A38-I60 HydrophobicContact CB-CD1 3.62Å; A38-I60 HydrophobicContact CB-CG1 3.91Å; L57-I60 HydrophobicContact CD2-CG1 4.37Å; I60-A63 HydrophobicContact CG2-CB 4.31Å; I60-L75 HydrophobicContact CD1-CD2 4.47Å; I60-L75 HydrophobicContact CG2-CD2 4.36Å; I60-V77 HydrophobicContact CB-CG1 4.49Å; I60-V77 HydrophobicContact CG1-CG1 4.21Å; I60-V77 HydrophobicContact CG2-CG1 4.43Å
61	V	98	Very high	93.3	Very high	44 Å²	44	55 Å²	55	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-52	-177.8	-176.4	0	0	0	0	109.2	D76 Y78	V61-D76 HydrophobicContact CB-CB 4.33Å; V61-D76 WeakPolarHBondContact CB-O 3.46Å; V61-D76 PolarHBondContact N-O 3.17Å; V61-Y78 HydrophobicContact CG2-CD2 3.45Å; V61-Y78 VanDerWaalsContact CG2-CD2 3.45Å; V61-Y78 HydrophobicContact CG2-CE2 3.46Å; V61-Y78 VanDerWaalsContact CG2-CE2 3.46Å; V61-Y78 HydrophobicContact CG2-CG 4.35Å
62	E	97.9	Very high	93.2	Very high	132 Å²	132	54.8 Å²	54.8	62%	0.617	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.8	177.2	-68.4	-175.5	175.8	0	0	109.8	L75 D76	E62-L75 WeakPolarHBondContact O-CA 3.35Å; E62-D76 HydrophobicContact CB-CB 4.3Å; E62-D76 PolarHBondContact N-O 2.81Å; E62-D76 PolarHBondContact O-N 2.89Å
63	A	97.2	Very high	93.2	Very high	9 Å²	9	52.8 Å²	52.8	7%	0.074	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	142.5	171.7	0	0	0	0	0	109.1	L27 V29 A34 I60 K74 L75	L27-A63 HydrophobicContact CB-CB 3.99Å; L27-A63 HydrophobicContact CD2-CB 4.29Å; L27-A63 HydrophobicContact CG-CB 4.34Å; L27-A63 PolarHBondContact N-O 2.91Å; V29-A63 HydrophobicContact CG1-CB 4.24Å; A34-A63 HydrophobicContact CB-CB 4.11Å; I60-A63 HydrophobicContact CG2-CB 4.31Å; A63-K74 CarbonylContact C-O 3.58Å; A63-K74 WeakPolarHBondContact CA-O 3.47Å; A63-L75 HydrophobicContact CB-CG 4.18Å
64	S	95.7	Very high	93.3	Very high	27 Å²	27	50.9 Å²	50.9	19%	0.189	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155	170.7	56.7	0	0	0	0	110.7	F25 Y73 K74	F25-S64 CarbonylContact O-C 3.59Å; F25-S64 WeakPolarHBondContact O-CA 3.32Å; F25-S64 WeakPolarHBondContact O-CB 3.08Å; S64-Y73 WeakPolarHBondContact O-CA 3.35Å; S64-K74 PolarHBondContact N-O 2.96Å; S64-K74 PolarHBondContact O-N 3.24Å; S64-K74 WeakPolarHBondContact OG-CB 3.16Å
65	S	94	Very high	93.5	Very high	26 Å²	26	49 Å²	49	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.7	178.6	67.6	0	0	0	0	111	F25 N72	F25-S65 PolarHBondContact N-O 3.42Å; F25-S65 PolarHBondContact O-N 2.03Å; S65-N72 CarbonylContact C-O 3.57Å; S65-N72 VanDerWaalsContact CA-O 3.23Å; S65-N72 WeakPolarHBondContact CA-O 3.48Å
66	Q	91.6	Very high	93.6	Very high	32 Å²	32	50.1 Å²	50.1	15%	0.15	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.6	176	172.7	-166.6	64.5	0	0	108.7	G22 G23 W24 V68 A71 N72	G22-Q66 PolarHBondContact O-NE2 3.14Å; G23-Q66 WeakPolarHBondContact O-CA 3.39Å; G23-Q66 WeakPolarHBondContact O-CB 3.44Å; G23-Q66 WeakPolarHBondContact O-CG 3.42Å; W24-Q66 HydrophobicContact CD2-CB 3.94Å; W24-Q66 HydrophobicContact CE3-CB 3.86Å; W24-Q66 HydrophobicContact CG-CB 4.47Å; W24-Q66 HydrophobicContact CH2-CB 4.4Å; W24-Q66 HydrophobicContact CZ2-CB 4.47Å; W24-Q66 HydrophobicContact CZ3-CB 4.1Å; Q66-V68 HydrophobicContact CG-CG1 3.96Å; Q66-A71 WeakPolarHBondContact O-CA 3.38Å; Q66-N72 HydrophobicContact CB-CB 4.32Å; Q66-N72 PolarHBondContact N-O 3.16Å; Q66-N72 PolarHBondContact O-N 2.65Å; Q66-N72 PolarHBondContact OE1-ND2 2.96Å
67	V	90	Very high	93.7	Very high	78 Å²	78	49 Å²	49	47%	0.473	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.7	173.5	-178	0	0	0	0	109.2	G22	G22-V67 WeakPolarHBondContact CA-O 3.34Å; G22-V67 PolarHBondContact N-O 2.96Å
68	V	86.8	Confident	93.8	Very high	70 Å²	70	51.4 Å²	51.4	42%	0.424	30%	0.298	S	S	.	.	S	Bend	trans	-134.7	-141.2	176.1	-64.6	0	0	0	0	108.6	Q66 G70	Q66-V68 HydrophobicContact CG-CG1 3.96Å; V68-G70 PolarHBondContact N-O 3.31Å; V68-G70 PolarHBondContact O-N 3.09Å
69	A	86.9	Confident	93.8	Very high	116 Å²	116	47.9 Å²	47.9	96%	0.959	28%	0.28	S	S	*	.	S	Bend	trans	-73.7	52.7	160.4	0	0	0	0	0	111.7
70	G	87.5	Confident	93.8	Very high	47 Å²	47	42 Å²	42	49%	0.485	25%	0.254	S	S	.	.	S	Bend	trans	136.8	-155.8	-165.8	0	0	0	0	0	111.1	V68	V68-G70 PolarHBondContact N-O 3.31Å; V68-G70 PolarHBondContact O-N 3.09Å
71	A	88.9	Confident	93.6	Very high	46 Å²	46	43.6 Å²	43.6	38%	0.38	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.8	173.9	0	0	0	0	0	110.7	Q66 Y73	Q66-A71 WeakPolarHBondContact O-CA 3.38Å; A71-Y73 HydrophobicContact CB-CE1 4.46Å; A71-Y73 HydrophobicContact CB-CE2 3.91Å
72	N	91.8	Very high	93.4	Very high	30 Å²	30	41.5 Å²	41.5	16%	0.16	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	151.3	165.5	-69.5	-34	0	0	0	109.8	W24 S65 Q66 S110	W24-N72 HydrophobicContact CH2-CB 3.68Å; W24-N72 HydrophobicContact CZ2-CB 4.31Å; W24-N72 HydrophobicContact CZ3-CB 4.29Å; S65-N72 CarbonylContact C-O 3.57Å; S65-N72 VanDerWaalsContact CA-O 3.23Å; S65-N72 WeakPolarHBondContact CA-O 3.48Å; Q66-N72 HydrophobicContact CB-CB 4.32Å; Q66-N72 PolarHBondContact N-O 3.16Å; Q66-N72 PolarHBondContact O-N 2.65Å; Q66-N72 PolarHBondContact OE1-ND2 2.96Å; N72-S110 WeakPolarHBondContact CA-OG 3.44Å
73	Y	93.8	Very high	93.1	Very high	24 Å²	24	38.3 Å²	38.3	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.7	176.4	-54.8	-87	0	0	0	111.1	L27 E33 R36 V37 S64 A71 C109 S110	L27-Y73 HydrophobicContact CD2-CD1 4.13Å; L27-Y73 HydrophobicContact CD2-CE1 4.3Å; E33-Y73 HydrophobicContact CG-CE1 3.7Å; E33-Y73 VanDerWaalsContact OE1-CE1 3.31Å; E33-Y73 WeakPolarHBondContact OE1-CE1 3.19Å; E33-Y73 VanDerWaalsContact OE1-CZ 3.3Å; E33-Y73 PolarHBondContact OE1-OH 3.14Å; R36-Y73 PolarHBondContact NH2-OH 2.84Å; R36-Y73 VanDerWaalsContact NH2-OH 3.08Å; V37-Y73 HydrophobicContact CB-CG 4.42Å; V37-Y73 HydrophobicContact CG1-CD2 4.2Å; V37-Y73 HydrophobicContact CG1-CG 4Å; V37-Y73 HydrophobicContact CG2-CD1 3.87Å; V37-Y73 HydrophobicContact CG2-CD2 3.77Å; V37-Y73 HydrophobicContact CG2-CE1 3.95Å; V37-Y73 HydrophobicContact CG2-CE2 3.85Å; V37-Y73 HydrophobicContact CG2-CG 3.76Å; S64-Y73 WeakPolarHBondContact O-CA 3.35Å; A71-Y73 HydrophobicContact CB-CE1 4.46Å; A71-Y73 HydrophobicContact CB-CE2 3.91Å; Y73-C109 WeakPolarHBondContact O-CA 3.48Å; Y73-S110 PolarHBondContact N-OG 2.92Å; Y73-S110 PolarHBondContact O-N 2.82Å; Y73-S110 VanDerWaalsContact O-N 3.14Å
74	K	94.9	Very high	92.8	Very high	60 Å²	60	38.8 Å²	38.8	26%	0.261	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.2	167.4	-83.3	174.4	176.4	-154.9	0	107.6	W24 A63 S64 F108 C109 C116	W24-K74 HydrophobicContact CD2-CD 4Å; W24-K74 HydrophobicContact CE3-CB 4.4Å; W24-K74 HydrophobicContact CE3-CD 4.08Å; W24-K74 HydrophobicContact CE3-CG 4.31Å; W24-K74 HydrophobicContact CH2-CB 4.18Å; W24-K74 HydrophobicContact CH2-CD 3.74Å; W24-K74 HydrophobicContact CH2-CG 3.5Å; W24-K74 VanDerWaalsContact CH2-CG 3.5Å; W24-K74 HydrophobicContact CZ2-CD 3.65Å; W24-K74 VanDerWaalsContact CZ2-CE 3.4Å; W24-K74 HydrophobicContact CZ2-CG 3.91Å; W24-K74 HydrophobicContact CZ3-CB 3.91Å; W24-K74 HydrophobicContact CZ3-CD 3.96Å; W24-K74 HydrophobicContact CZ3-CG 3.73Å; A63-K74 CarbonylContact C-O 3.58Å; A63-K74 WeakPolarHBondContact CA-O 3.47Å; S64-K74 PolarHBondContact N-O 2.96Å; S64-K74 PolarHBondContact O-N 3.24Å; S64-K74 WeakPolarHBondContact OG-CB 3.16Å; K74-F108 CarbonylContact C-O 3.45Å; K74-F108 WeakPolarHBondContact CA-O 3.45Å; K74-C109 VanDerWaalsContact CG-SG 3.58Å; K74-C116 HydrophobicContact CD-CB 4.29Å; K74-C116 WeakPolarHBondContact CE-O 3.48Å; K74-C116 HydrophobicContact CG-CB 4.19Å; K74-C116 PolarHBondContact NZ-O 2.87Å
75	L	96.1	Very high	92.6	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.5	175	-67	80.6	0	0	0	109.2	A34 V37 A38 I60 E62 A63 V77 D107 F108	A34-L75 WeakPolarHBondContact O-CD2 3.06Å; V37-L75 HydrophobicContact CB-CD1 4.04Å; V37-L75 HydrophobicContact CB-CD2 4.36Å; V37-L75 HydrophobicContact CG1-CD1 3.41Å; V37-L75 VanDerWaalsContact CG1-CD1 3.41Å; V37-L75 HydrophobicContact CG1-CD2 4.39Å; A38-L75 HydrophobicContact CB-CD2 3.63Å; I60-L75 HydrophobicContact CD1-CD2 4.47Å; I60-L75 HydrophobicContact CG2-CD2 4.36Å; E62-L75 WeakPolarHBondContact O-CA 3.35Å; A63-L75 HydrophobicContact CB-CG 4.18Å; L75-V77 HydrophobicContact CB-CG1 3.96Å; L75-V77 HydrophobicContact CD2-CG1 4.49Å; L75-D107 CarbonylContact O-C 3.55Å; L75-D107 WeakPolarHBondContact O-CA 3.36Å; L75-F108 HydrophobicContact CB-CB 4.33Å; L75-F108 PolarHBondContact N-O 2.97Å; L75-F108 PolarHBondContact O-N 2.93Å
76	D	96.3	Very high	92.4	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.16	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.8	163	-176.8	-11.1	0	0	0	107.6	V61 E62 Q105	V61-D76 HydrophobicContact CB-CB 4.33Å; V61-D76 WeakPolarHBondContact CB-O 3.46Å; V61-D76 PolarHBondContact N-O 3.17Å; E62-D76 HydrophobicContact CB-CB 4.3Å; E62-D76 PolarHBondContact N-O 2.81Å; E62-D76 PolarHBondContact O-N 2.89Å; D76-Q105 WeakPolarHBondContact OD1-CG 3.38Å; D76-Q105 PolarHBondContact OD1-NE2 3.18Å; D76-Q105 PolarHBondContact OD2-NE2 2.88Å
77	V	96.6	Very high	92.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.5	-176.4	-55.6	0	0	0	0	112.4	L57 K59 I60 L75 I79 Q105 I106 F108	L57-V77 HydrophobicContact CD1-CB 3.87Å; L57-V77 HydrophobicContact CD1-CG1 4.04Å; L57-V77 HydrophobicContact CD1-CG2 4.29Å; K59-V77 CarbonylContact O-C 3.59Å; K59-V77 VanDerWaalsContact O-CA 3.32Å; K59-V77 WeakPolarHBondContact O-CA 3.37Å; I60-V77 HydrophobicContact CB-CG1 4.49Å; I60-V77 HydrophobicContact CG1-CG1 4.21Å; I60-V77 HydrophobicContact CG2-CG1 4.43Å; L75-V77 HydrophobicContact CB-CG1 3.96Å; L75-V77 HydrophobicContact CD2-CG1 4.49Å; V77-I79 HydrophobicContact CG2-CG2 3.8Å; V77-Q105 CarbonylContact O-C 3.43Å; V77-Q105 WeakPolarHBondContact O-CA 3.19Å; V77-I106 HydrophobicContact CG2-CG2 3.6Å; V77-I106 WeakPolarHBondContact CG2-O 3.36Å; V77-I106 PolarHBondContact N-O 3.33Å; V77-I106 PolarHBondContact O-N 2.94Å; V77-F108 HydrophobicContact CG1-CD2 4.16Å; V77-F108 HydrophobicContact CG1-CE2 4.46Å; V77-F108 HydrophobicContact CG2-CD2 3.66Å; V77-F108 HydrophobicContact CG2-CE2 3.44Å; V77-F108 VanDerWaalsContact CG2-CE2 3.44Å; V77-F108 HydrophobicContact CG2-CG 4.34Å; V77-F108 HydrophobicContact CG2-CZ 3.93Å
78	Y	96.9	Very high	91.9	Very high	89 Å²	89	46.1 Å²	46.1	35%	0.349	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.7	157.9	-71.9	-65	0	0	0	109.6	I58 K59 V61 M104 Q105	I58-Y78 WeakPolarHBondContact CB-O 3.32Å; I58-Y78 PolarHBondContact N-O 2.89Å; K59-Y78 HydrophobicContact CB-CD2 4.31Å; K59-Y78 PolarHBondContact N-O 3.08Å; K59-Y78 PolarHBondContact O-N 3.42Å; V61-Y78 HydrophobicContact CG2-CD2 3.45Å; V61-Y78 VanDerWaalsContact CG2-CD2 3.45Å; V61-Y78 HydrophobicContact CG2-CE2 3.46Å; V61-Y78 VanDerWaalsContact CG2-CE2 3.46Å; V61-Y78 HydrophobicContact CG2-CG 4.35Å; Y78-M104 WeakPolarHBondContact CA-O 3.38Å; Y78-Q105 HydrophobicContact CD1-CB 3.89Å; Y78-Q105 HydrophobicContact CD1-CG 4.17Å; Y78-Q105 HydrophobicContact CE1-CB 3.67Å; Y78-Q105 HydrophobicContact CE1-CG 3.87Å; Y78-Q105 VanDerWaalsContact CE1-OE1 3.25Å; Y78-Q105 VanDerWaalsContact CZ-OE1 3.28Å; Y78-Q105 PolarHBondContact OH-OE1 2.96Å
79	I	95.7	Very high	91	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.8	167.9	63.2	169	0	0	0	110.8	L42 D55 M56 V77 F103 M104 I106 F108	L42-I79 HydrophobicContact CD1-CG2 4.1Å; D55-I79 HydrophobicContact CB-CD1 4.12Å; M56-I79 CarbonylContact O-C 3.52Å; M56-I79 WeakPolarHBondContact O-CA 3.48Å; M56-I79 WeakPolarHBondContact O-CB 3.01Å; V77-I79 HydrophobicContact CG2-CG2 3.8Å; I79-F103 WeakPolarHBondContact O-CA 3.33Å; I79-M104 HydrophobicContact CD1-CG 3.99Å; I79-M104 HydrophobicContact CD1-SD 4.13Å; I79-M104 HydrophobicContact CG1-CG 3.55Å; I79-M104 HydrophobicContact CG1-SD 4.35Å; I79-M104 PolarHBondContact N-O 2.51Å; I79-M104 PolarHBondContact O-N 2.87Å; I79-M104 VanDerWaalsContact O-O 3.08Å; I79-I106 HydrophobicContact CD1-CG2 3.81Å; I79-I106 HydrophobicContact CG1-CG2 3.9Å; I79-I106 HydrophobicContact CG2-CG2 4.07Å; I79-F108 HydrophobicContact CG2-CZ 4.17Å
80	G	94.9	Very high	89.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.2	176.1	0	0	0	0	0	111.7	D55 M56 S82 T100 K102	D55-G80 CarbonylContact C-O 3.5Å; D55-G80 WeakPolarHBondContact CA-O 3.45Å; M56-G80 PolarHBondContact N-O 3.28Å; M56-G80 PolarHBondContact O-N 2.89Å; G80-S82 PolarHBondContact O-N 2.99Å; G80-T100 VanDerWaalsContact CA-CG2 3.47Å; G80-K102 CarbonylContact C-O 3.4Å; G80-K102 WeakPolarHBondContact CA-O 3.36Å
81	L	94.6	Very high	88.4	Confident	53 Å²	53	55.8 Å²	55.8	28%	0.277	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	119	166.7	-179.4	69.1	0	0	0	107.9	T100 L101 K102	L81-T100 CarbonylContact O-C 3.47Å; L81-L101 PolarHBondContact O-N 2.84Å; L81-K102 HydrophobicContact CB-CB 4.46Å; L81-K102 PolarHBondContact N-O 2.87Å
82	S	93.2	Very high	86.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	168.5	178.6	73.9	0	0	0	0	112.6	Y53 H54 G80 C84 L99	Y53-S82 WeakPolarHBondContact CB-O 3.44Å; H54-S82 VanDerWaalsContact O-CB 3.26Å; H54-S82 WeakPolarHBondContact O-CB 3.31Å; H54-S82 PolarHBondContact O-N 3.34Å; H54-S82 PolarHBondContact O-OG 2.75Å; G80-S82 PolarHBondContact O-N 2.99Å; S82-C84 VanDerWaalsContact C-N 3.29Å; S82-C84 PolarHBondContact OG-N 2.83Å; S82-L99 CarbonylContact C-O 3.57Å; S82-L99 VanDerWaalsContact CA-O 3.24Å; S82-L99 WeakPolarHBondContact CA-O 3.4Å
83	N	91.6	Very high	85.6	Confident	65 Å²	65	64.8 Å²	64.8	35%	0.348	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	1.8	165.1	70.2	-22.3	0	0	0	113.6	Y53 A85 C98 L99 L101	Y53-N83 WeakPolarHBondContact CD1-O 3.34Å; N83-A85 PolarHBondContact O-N 2.97Å; N83-C98 WeakPolarHBondContact OD1-CA 3.35Å; N83-L99 PolarHBondContact N-O 3.4Å; N83-L99 PolarHBondContact OD1-N 2.83Å; N83-L101 HydrophobicContact CB-CD1 4.14Å; N83-L101 HydrophobicContact CB-CD2 4.23Å; N83-L101 HydrophobicContact CB-CG 4.25Å
84	C	90.8	Very high	84.4	Confident	18 Å²	18	67.3 Å²	67.3	12%	0.122	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.9	-178.8	-77.5	0	0	0	0	110.6	Y53 H54 S82 F93 C98	Y53-C84 CarbonylContact C-O 3.54Å; Y53-C84 VanDerWaalsContact CA-O 3.27Å; Y53-C84 WeakPolarHBondContact CA-O 3.32Å; H54-C84 PolarHBondContact CD2-O 2.89Å; H54-C84 PolarHBondContact N-O 2.69Å; S82-C84 VanDerWaalsContact C-N 3.29Å; S82-C84 PolarHBondContact OG-N 2.83Å; C84-F93 HydrophobicContact CB-CD2 4.19Å; C84-F93 HydrophobicContact CB-CE2 3.89Å; C84-C98 HydrophobicContact CB-CB 4.04Å; C84-C98 WeakPolarHBondContact CB-SG 3.38Å; C84-C98 WeakPolarHBondContact SG-CA 3.35Å; C84-C98 WeakPolarHBondContact SG-CB 3.19Å; C84-C98 CovalentContact SG-SG 2.03Å; C84-C98 PolarHBondContact SG-SG 2.72Å
85	A	91.1	Very high	83.3	Confident	9 Å²	9	70 Å²	70	7%	0.074	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.1	-176.5	0	0	0	0	0	111.4	A52 Y53 N83 K87 D88	A52-A85 CarbonylContact O-C 3.53Å; A52-A85 WeakPolarHBondContact O-CA 3.4Å; Y53-A85 HydrophobicContact CD1-CB 4.23Å; Y53-A85 HydrophobicContact CE1-CB 4.31Å; N83-A85 PolarHBondContact O-N 2.97Å; A85-K87 HydrophobicContact CB-CG 3.93Å; A85-K87 PolarHBondContact O-N 2.92Å; A85-D88 PolarHBondContact O-N 2.85Å; A85-D88 VanDerWaalsContact O-N 3.11Å
86	K	90.9	Very high	82.4	Confident	45 Å²	45	74.4 Å²	74.4	20%	0.196	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.4	179	-62	-172.6	-172.5	171.6	0	113.5	N46 S49 S51 A52 Y53 D88	N46-K86 VanDerWaalsContact O-CE 3.24Å; N46-K86 WeakPolarHBondContact O-CE 3.36Å; N46-K86 PolarHBondContact O-NZ 2.9Å; S49-K86 PolarHBondContact O-NZ 3.39Å; S51-K86 VanDerWaalsContact O-CD 3.25Å; S51-K86 WeakPolarHBondContact O-CD 3.32Å; S51-K86 WeakPolarHBondContact O-CE 3.23Å; S51-K86 PolarHBondContact O-NZ 2.83Å; S51-K86 VanDerWaalsContact O-NZ 3.07Å; A52-K86 PolarHBondContact O-N 2.91Å; Y53-K86 WeakPolarHBondContact O-CE 3.46Å; K86-D88 VanDerWaalsContact C-N 3.27Å; K86-D88 PolarHBondContact O-N 3Å
87	K	88.1	Confident	81.7	Confident	178 Å²	178	78.6 Å²	78.6	77%	0.774	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-16.7	177	65.9	178.5	-177.7	176.9	0	113.5	A85 V89	A85-K87 HydrophobicContact CB-CG 3.93Å; A85-K87 PolarHBondContact O-N 2.92Å; K87-V89 PolarHBondContact O-N 3.14Å
88	D	81.8	Confident	81.2	Confident	85 Å²	85	79.2 Å²	79.2	46%	0.455	40%	0.398	S	S	.	.			trans	-81.6	65.3	-178.2	-64.2	-20.9	0	0	0	110.2	A85 K86	A85-D88 PolarHBondContact O-N 2.85Å; A85-D88 VanDerWaalsContact O-N 3.11Å; K86-D88 VanDerWaalsContact C-N 3.27Å; K86-D88 PolarHBondContact O-N 3Å
89	V	69.6	Low	80.7	Confident	127 Å²	127	80.5 Å²	80.5	77%	0.77	41%	0.41	S	S	*	.			trans	-83.2	132.6	178.6	-173.8	0	0	0	0	109.9	K87 R91	K87-V89 PolarHBondContact O-N 3.14Å; V89-R91 PolarHBondContact O-N 2.88Å
90	G	63.7	Low	80.4	Confident	70 Å²	70	82.5 Å²	82.5	72%	0.722	42%	0.423	S	S	*	.	S	Bend	trans	90.5	-9.2	156.6	0	0	0	0	0	118.7
91	R	56	Low	80	Confident	239 Å²	239	87.6 Å²	87.6	90%	0.902	45%	0.45	S	S	*	.	S	Bend	trans	-141.4	-7.4	176.3	-69.1	-156.7	-65	146	-4	118.7	V89	V89-R91 PolarHBondContact O-N 2.88Å
92	K	55.2	Low	79.8	Confident	182 Å²	182	92.2 Å²	92.2	79%	0.791	47%	0.467	S	S	*	.	S	Bend	trans	-143.3	4.2	-179.2	-68.9	-170	179.2	-178.5	0	115.8	N94	K92-N94 VanDerWaalsContact C-N 3.29Å; K92-N94 PolarHBondContact O-N 2.03Å
93	F	64.9	Low	79.8	Confident	83 Å²	83	98 Å²	98	36%	0.364	49%	0.493	S	S	.	.			trans	-77.4	82.7	178.9	-172	-102	0	0	0	110.6	H54 C84	H54-F93 AromaticContact CD2-CE2 3.53Å; H54-F93 AromaticContact NE2-CE2 3.92Å; C84-F93 HydrophobicContact CB-CD2 4.19Å; C84-F93 HydrophobicContact CB-CE2 3.89Å
94	N	70.1	Confident	79.9	Confident	77 Å²	77	98.9 Å²	98.9	41%	0.412	50%	0.496	S	S	.	.			trans	-98.4	111.6	163.3	-177.2	-7.6	0	0	0	108.1	K92 S96 L97	K92-N94 VanDerWaalsContact C-N 3.29Å; K92-N94 PolarHBondContact O-N 2.03Å; N94-S96 VanDerWaalsContact CG-OG 3.23Å; N94-S96 PolarHBondContact ND2-OG 3.38Å; N94-S96 PolarHBondContact O-N 2.99Å; N94-S96 VanDerWaalsContact O-N 3.08Å; N94-S96 WeakPolarHBondContact OD1-CB 3.02Å; N94-S96 PolarHBondContact OD1-N 2.91Å; N94-S96 PolarHBondContact OD1-OG 2.88Å; N94-L97 HydrophobicContact CB-CB 4.39Å; N94-L97 HydrophobicContact CB-CD1 3.9Å; N94-L97 HydrophobicContact CB-CG 3.92Å; N94-L97 PolarHBondContact O-N 2.82Å
95	R	71.8	Confident	80.1	Confident	118 Å²	118	102.2 Å²	102.2	45%	0.445	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-54.6	-29	178.6	-173.7	179.6	-67	-89.2	0.1	112.4	M56 L97 C98	M56-R95 HydrophobicContact CE-CG 4.19Å; R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 PolarHBondContact O-N 3.02Å; R95-C98 WeakPolarHBondContact O-CB 3.15Å; R95-C98 PolarHBondContact O-N 2.69Å
96	S	77	Confident	80.3	Confident	94 Å²	94	103.5 Å²	103.5	66%	0.657	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-73	-15.3	178.2	79.5	0	0	0	0	114.1	N94	N94-S96 VanDerWaalsContact CG-OG 3.23Å; N94-S96 PolarHBondContact ND2-OG 3.38Å; N94-S96 PolarHBondContact O-N 2.99Å; N94-S96 VanDerWaalsContact O-N 3.08Å; N94-S96 WeakPolarHBondContact OD1-CB 3.02Å; N94-S96 PolarHBondContact OD1-N 2.91Å; N94-S96 PolarHBondContact OD1-OG 2.88Å
97	L	80.6	Confident	80.4	Confident	119 Å²	119	105.7 Å²	105.7	62%	0.623	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-96	-6.5	177.3	-60.1	-179.5	0	0	0	112.5	N94 R95 L99	N94-L97 HydrophobicContact CB-CB 4.39Å; N94-L97 HydrophobicContact CB-CD1 3.9Å; N94-L97 HydrophobicContact CB-CG 3.92Å; N94-L97 PolarHBondContact O-N 2.82Å; R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 PolarHBondContact O-N 3.02Å; L97-L99 PolarHBondContact O-N 3.04Å
98	C	86.8	Confident	80.6	Confident	12 Å²	12	97.8 Å²	97.8	8%	0.081	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-76.4	120.6	177.9	-58.6	0	0	0	0	109.6	M56 N83 C84 R95	M56-C98 HydrophobicContact CE-CB 4.28Å; M56-C98 HydrophobicContact SD-CB 3.28Å; M56-C98 WeakPolarHBondContact SD-CB 3.11Å; N83-C98 WeakPolarHBondContact OD1-CA 3.35Å; C84-C98 HydrophobicContact CB-CB 4.04Å; C84-C98 WeakPolarHBondContact CB-SG 3.38Å; C84-C98 WeakPolarHBondContact SG-CA 3.35Å; C84-C98 WeakPolarHBondContact SG-CB 3.19Å; C84-C98 CovalentContact SG-SG 2.03Å; C84-C98 PolarHBondContact SG-SG 2.72Å; R95-C98 WeakPolarHBondContact O-CB 3.15Å; R95-C98 PolarHBondContact O-N 2.69Å
99	L	87.3	Confident	81.1	Confident	116 Å²	116	95.3 Å²	95.3	61%	0.607	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-90.5	136.4	173.5	-60.4	178	0	0	0	109.6	S82 N83 L97 L101	S82-L99 CarbonylContact C-O 3.57Å; S82-L99 VanDerWaalsContact CA-O 3.24Å; S82-L99 WeakPolarHBondContact CA-O 3.4Å; N83-L99 PolarHBondContact N-O 3.4Å; N83-L99 PolarHBondContact OD1-N 2.83Å; L97-L99 PolarHBondContact O-N 3.04Å; L99-L101 PolarHBondContact O-N 3.07Å
100	T	88.9	Confident	81.4	Confident	42 Å²	42	91.8 Å²	91.8	26%	0.258	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.4	171.7	-54.9	0	0	0	0	110	G80 L81 K102 F103	G80-T100 VanDerWaalsContact CA-CG2 3.47Å; L81-T100 CarbonylContact O-C 3.47Å; T100-K102 WeakPolarHBondContact CG2-O 3.42Å; T100-F103 VanDerWaalsContact CB-CZ 3.5Å; T100-F103 HydrophobicContact CG2-CD1 3.72Å; T100-F103 HydrophobicContact CG2-CD2 3.91Å; T100-F103 HydrophobicContact CG2-CE1 3.42Å; T100-F103 VanDerWaalsContact CG2-CE1 3.42Å; T100-F103 HydrophobicContact CG2-CE2 3.61Å; T100-F103 HydrophobicContact CG2-CG 3.96Å; T100-F103 HydrophobicContact CG2-CZ 3.35Å
101	L	86.2	Confident	81.4	Confident	108 Å²	108	94.6 Å²	94.6	57%	0.565	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	-35.3	177.9	-59.1	178.4	0	0	0	111.9	L81 N83 L99	L81-L101 PolarHBondContact O-N 2.84Å; N83-L101 HydrophobicContact CB-CD1 4.14Å; N83-L101 HydrophobicContact CB-CD2 4.23Å; N83-L101 HydrophobicContact CB-CG 4.25Å; L99-L101 PolarHBondContact O-N 3.07Å
102	K	91	Very high	81.1	Confident	149 Å²	149	91 Å²	91	65%	0.648	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.2	142.7	-179	-175.8	174	-179.5	179.8	0	110.2	G80 L81 T100	G80-K102 CarbonylContact C-O 3.4Å; G80-K102 WeakPolarHBondContact CA-O 3.36Å; L81-K102 HydrophobicContact CB-CB 4.46Å; L81-K102 PolarHBondContact N-O 2.87Å; T100-K102 WeakPolarHBondContact CG2-O 3.42Å
103	F	92.1	Very high	80.8	Confident	123 Å²	123	89.2 Å²	89.2	54%	0.539	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146.6	176	-59.8	-93.6	0	0	0	110.6	I58 I79 T100	I58-F103 HydrophobicContact CD1-CD1 4.28Å; I58-F103 HydrophobicContact CD1-CE1 3.79Å; I58-F103 HydrophobicContact CG1-CD1 3.84Å; I58-F103 HydrophobicContact CG1-CE1 3.85Å; I58-F103 HydrophobicContact CG2-CD1 4.39Å; I58-F103 HydrophobicContact CG2-CE1 4.21Å; I79-F103 WeakPolarHBondContact O-CA 3.33Å; T100-F103 VanDerWaalsContact CB-CZ 3.5Å; T100-F103 HydrophobicContact CG2-CD1 3.72Å; T100-F103 HydrophobicContact CG2-CD2 3.91Å; T100-F103 HydrophobicContact CG2-CE1 3.42Å; T100-F103 VanDerWaalsContact CG2-CE1 3.42Å; T100-F103 HydrophobicContact CG2-CE2 3.61Å; T100-F103 HydrophobicContact CG2-CG 3.96Å; T100-F103 HydrophobicContact CG2-CZ 3.35Å
104	M	94.6	Very high	80.4	Confident	83 Å²	83	93 Å²	93	41%	0.409	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.8	171.7	63.3	-179.2	-69.9	0	0	110.8	Y78 I79	Y78-M104 WeakPolarHBondContact CA-O 3.38Å; I79-M104 HydrophobicContact CD1-CG 3.99Å; I79-M104 HydrophobicContact CD1-SD 4.13Å; I79-M104 HydrophobicContact CG1-CG 3.55Å; I79-M104 HydrophobicContact CG1-SD 4.35Å; I79-M104 PolarHBondContact N-O 2.51Å; I79-M104 PolarHBondContact O-N 2.87Å; I79-M104 VanDerWaalsContact O-O 3.08Å
105	Q	95.5	Very high	79.8	Confident	88 Å²	88	94.7 Å²	94.7	41%	0.411	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.2	173.8	-163.3	162.1	-9.3	0	0	109.2	D76 V77 Y78	D76-Q105 WeakPolarHBondContact OD1-CG 3.38Å; D76-Q105 PolarHBondContact OD1-NE2 3.18Å; D76-Q105 PolarHBondContact OD2-NE2 2.88Å; V77-Q105 CarbonylContact O-C 3.43Å; V77-Q105 WeakPolarHBondContact O-CA 3.19Å; Y78-Q105 HydrophobicContact CD1-CB 3.89Å; Y78-Q105 HydrophobicContact CD1-CG 4.17Å; Y78-Q105 HydrophobicContact CE1-CB 3.67Å; Y78-Q105 HydrophobicContact CE1-CG 3.87Å; Y78-Q105 VanDerWaalsContact CE1-OE1 3.25Å; Y78-Q105 VanDerWaalsContact CZ-OE1 3.28Å; Y78-Q105 PolarHBondContact OH-OE1 2.96Å
106	I	93.7	Very high	79.5	Confident	35 Å²	35	92.5 Å²	92.5	18%	0.179	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145	-179.7	-170.1	166.9	0	0	0	111.1	V77 I79 F108	V77-I106 HydrophobicContact CG2-CG2 3.6Å; V77-I106 WeakPolarHBondContact CG2-O 3.36Å; V77-I106 PolarHBondContact N-O 3.33Å; V77-I106 PolarHBondContact O-N 2.94Å; I79-I106 HydrophobicContact CD1-CG2 3.81Å; I79-I106 HydrophobicContact CG1-CG2 3.9Å; I79-I106 HydrophobicContact CG2-CG2 4.07Å; I106-F108 HydrophobicContact CD1-CE1 4.32Å; I106-F108 HydrophobicContact CG2-CD1 4.36Å; I106-F108 HydrophobicContact CG2-CE1 3.84Å; I106-F108 HydrophobicContact CG2-CZ 4.07Å
107	D	93.4	Very high	79.6	Confident	91 Å²	91	92.5 Å²	92.5	49%	0.487	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.8	172.3	-56.9	-41.9	0	0	0	110.7	L75	L75-D107 CarbonylContact O-C 3.55Å; L75-D107 WeakPolarHBondContact O-CA 3.36Å
108	F	93.2	Very high	79.5	Confident	13 Å²	13	91.1 Å²	91.1	6%	0.057	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.1	168.3	-67.2	-30.4	0	0	0	110.2	S41 L42 K74 L75 V77 I79 I106	S41-F108 VanDerWaalsContact CB-CD2 3.42Å; S41-F108 VanDerWaalsContact CB-CG 3.47Å; L42-F108 HydrophobicContact CB-CE2 4.19Å; L42-F108 HydrophobicContact CB-CZ 4.27Å; L42-F108 HydrophobicContact CD1-CZ 4.26Å; K74-F108 CarbonylContact C-O 3.45Å; K74-F108 WeakPolarHBondContact CA-O 3.45Å; L75-F108 HydrophobicContact CB-CB 4.33Å; L75-F108 PolarHBondContact N-O 2.97Å; L75-F108 PolarHBondContact O-N 2.93Å; V77-F108 HydrophobicContact CG1-CD2 4.16Å; V77-F108 HydrophobicContact CG1-CE2 4.46Å; V77-F108 HydrophobicContact CG2-CD2 3.66Å; V77-F108 HydrophobicContact CG2-CE2 3.44Å; V77-F108 VanDerWaalsContact CG2-CE2 3.44Å; V77-F108 HydrophobicContact CG2-CG 4.34Å; V77-F108 HydrophobicContact CG2-CZ 3.93Å; I79-F108 HydrophobicContact CG2-CZ 4.17Å; I106-F108 HydrophobicContact CD1-CE1 4.32Å; I106-F108 HydrophobicContact CG2-CD1 4.36Å; I106-F108 HydrophobicContact CG2-CE1 3.84Å; I106-F108 HydrophobicContact CG2-CZ 4.07Å
109	C	91.4	Very high	79.1	Confident	33 Å²	33	95.4 Å²	95.4	22%	0.223	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.7	171.3	-95.3	0	0	0	0	110.9	Y73 K74 H111 C116	Y73-C109 WeakPolarHBondContact O-CA 3.48Å; K74-C109 VanDerWaalsContact CG-SG 3.58Å; C109-H111 VanDerWaalsContact C-N 3.3Å; C109-H111 PolarHBondContact O-N 2.81Å; C109-C116 HydrophobicContact CB-CB 4.48Å; C109-C116 WeakPolarHBondContact CB-SG 3.25Å; C109-C116 WeakPolarHBondContact SG-CA 3.27Å; C109-C116 WeakPolarHBondContact SG-CB 3.48Å; C109-C116 CovalentContact SG-SG 2.03Å; C109-C116 PolarHBondContact SG-SG 2.9Å
110	S	77.4	Confident	78.6	Confident	52 Å²	52	94.2 Å²	94.2	36%	0.364	48%	0.482	S	S	.	.	S	Bend	trans	-79.6	-1.4	-177.7	62.1	0	0	0	0	115.3	N72 Y73	N72-S110 WeakPolarHBondContact CA-OG 3.44Å; Y73-S110 PolarHBondContact N-OG 2.92Å; Y73-S110 PolarHBondContact O-N 2.82Å; Y73-S110 VanDerWaalsContact O-N 3.14Å
111	H	61.7	Low	78	Confident	129 Å²	129	97.5 Å²	97.5	60%	0.597	50%	0.496	S	S	*	.	S	Bend	trans	-128.2	166.3	-172.5	-137.4	3.2	0	0	0	114.3	C109 Q113	C109-H111 VanDerWaalsContact C-N 3.3Å; C109-H111 PolarHBondContact O-N 2.81Å; H111-Q113 CarbonylContact O-C 3.51Å; H111-Q113 PolarHBondContact O-N 2.99Å
112	L	49.8	Very low	77.5	Confident	163 Å²	163	96.8 Å²	96.8	85%	0.853	49%	0.492	S	S	*	.	S	Bend	trans	-56.8	-6.9	-163.4	-85.8	156.3	0	0	0	116.8
113	Q	49.5	Very low	76.5	Confident	146 Å²	146	93.1 Å²	93.1	68%	0.682	48%	0.481	S	S	*	.			trans	-106.5	111.7	168.1	-150.4	89.4	-50.1	0	0	106.6	H111 V115	H111-Q113 CarbonylContact O-C 3.51Å; H111-Q113 PolarHBondContact O-N 2.99Å; Q113-V115 HydrophobicContact CG-CB 4.1Å; Q113-V115 HydrophobicContact CG-CG2 4.32Å; Q113-V115 PolarHBondContact O-N 2.89Å
114	E	56.7	Low	75.3	Confident	163 Å²	163	90.8 Å²	90.8	76%	0.762	48%	0.476	S	S	*	.	S	Bend	trans	-63	4.3	173.5	-61.7	-178.6	163.1	0	0	112.9
115	V	57.3	Low	73.7	Confident	111 Å²	111	91.4 Å²	91.4	67%	0.673	48%	0.482	S	S	*	.			trans	-98.6	107.2	173.9	-172.8	0	0	0	0	108.3	Q113	Q113-V115 HydrophobicContact CG-CB 4.1Å; Q113-V115 HydrophobicContact CG-CG2 4.32Å; Q113-V115 PolarHBondContact O-N 2.89Å
116	C	64.6	Low	71.7	Confident	73 Å²	73	91.7 Å²	91.7	49%	0.493	49%	0.488	S	S	.	.			trans	-71.6	0	161.7	-55.6	0	0	0	0	110.3	K74 C109	K74-C116 HydrophobicContact CD-CB 4.29Å; K74-C116 WeakPolarHBondContact CE-O 3.48Å; K74-C116 HydrophobicContact CG-CB 4.19Å; K74-C116 PolarHBondContact NZ-O 2.87Å; C109-C116 HydrophobicContact CB-CB 4.48Å; C109-C116 WeakPolarHBondContact CB-SG 3.25Å; C109-C116 WeakPolarHBondContact SG-CA 3.27Å; C109-C116 WeakPolarHBondContact SG-CB 3.48Å; C109-C116 CovalentContact SG-SG 2.03Å; C109-C116 PolarHBondContact SG-SG 2.9Å

Retrieved 116 of 116 residues in 636.1 ms (Link to these results)

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