A0A077YYL8_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 132 aa.

						>A0A077YYL8_TRITR|A0A077YYL8
MMHQSLYGALCASDPLTAVAALMDPLLTAKDTTFTKIFVGGLPYHTSDKTLREYFEQFGDIEEAVVITDRQTGKSRGYGFVTMKERTSAERACKDPNPIIDGRKANVNLAYLGAKPRSNVQLGEQPVLSLMA
					

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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	47.7	Very low	53	Low	240 Å²	240	154.1 Å²	154.1	100%	1.182	84%	0.838	S	S	*	*				0	120.7	0	-102	152.8	-176.8	0	0	108.5
2	M	52	Low	52.7	Low	183 Å²	183	147.8 Å²	147.8	90%	0.901	82%	0.822	S	S	*	*			trans	23.2	98.7	162.1	-55	-169.8	-154.6	0	0	117.1
3	H	56.3	Low	52.4	Low	182 Å²	182	144.5 Å²	144.5	84%	0.843	82%	0.815	S	S	*	*				66.9	108.3	88.3	-157.5	-99.4	0	0	0	112.9
4	Q	52.2	Low	52.4	Low	189 Å²	189	142.2 Å²	142.2	88%	0.883	80%	0.8	S	S	*	*			trans	-56	131.3	175.3	-62.7	-177.3	74.1	0	0	110.2
5	S	57.7	Low	52.4	Low	83 Å²	83	139.9 Å²	139.9	58%	0.58	79%	0.793	S	S	*	*			trans	-129.3	106.8	174.9	-177.9	0	0	0	0	107.7
6	L	64.9	Low	52.2	Low	160 Å²	160	139.9 Å²	139.9	84%	0.838	79%	0.79	S	S	*	*				-158.5	102.4	125.1	-127.1	75.7	0	0	0	107.2
7	Y	55.4	Low	51.9	Low	209 Å²	209	139.2 Å²	139.2	82%	0.82	79%	0.789	S	S	*	*			trans	4.4	113.7	146.7	-60.8	-93.6	0	0	0	114.2
8	G	47	Very low	51.5	Low	70 Å²	70	136.8 Å²	136.8	72%	0.722	79%	0.79	S	S	*	*				86.1	85.5	68.1	0	0	0	0	0	108.2
9	A	51	Low	51.4	Low	96 Å²	96	134.2 Å²	134.2	79%	0.793	78%	0.776	S	S	*	*				59	102.2	95.8	0	0	0	0	0	113.8
10	L	55.6	Low	51.1	Low	169 Å²	169	132.2 Å²	132.2	89%	0.885	78%	0.776	S	S	*	*			trans	-173.2	89.6	146.3	-89.5	137	0	0	0	104.2
11	C	43.6	Very low	50.7	Low	114 Å²	114	130.2 Å²	130.2	77%	0.77	78%	0.775	S	S	*	*				38.5	94.3	88.6	-159.4	0	0	0	0	112.2
12	A	49	Very low	50.8	Low	78 Å²	78	127.2 Å²	127.2	65%	0.645	76%	0.762	S	S	*	*			trans	-148.2	87.1	149.2	0	0	0	0	0	106.2	D14	A12-D14 PolarHBondContact O-N 3.34Å
13	S	48.9	Very low	50.9	Low	105 Å²	105	125.1 Å²	125.1	73%	0.734	75%	0.752	S	S	*	*			trans	-68.3	80.8	167.4	-55.7	0	0	0	0	108.2
14	D	52.1	Low	50.6	Low	113 Å²	113	121.5 Å²	121.5	60%	0.604	74%	0.739	S	S	*	*			trans	-120.9	85.2	172	-61.3	-62	0	0	0	109.9	A12 L16	A12-D14 PolarHBondContact O-N 3.34Å; D14-L16 PolarHBondContact O-N 3.45Å
15	P	52.5	Low	50.2	Low	107 Å²	107	119.3 Å²	119.3	70%	0.695	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	7.7	165.8	28.9	-33.2	0	0	0	113.1
16	L	49.1	Very low	49.8	Very low	141 Å²	141	122.2 Å²	122.2	74%	0.738	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-19.3	-169.8	-151.2	75.6	0	0	0	114.6	D14	D14-L16 PolarHBondContact O-N 3.45Å
17	T	47.9	Very low	48.7	Very low	127 Å²	127	122.2 Å²	122.2	78%	0.779	75%	0.75	S	S	*	*	S	Bend	trans	-93.2	-13.6	-174.7	-58.8	0	0	0	0	113.7
18	A	44.5	Very low	48.3	Very low	97 Å²	97	118 Å²	118	80%	0.802	75%	0.746	S	S	*	*	S	Bend	trans	-97.1	-3.6	-179	0	0	0	0	0	114.7
19	V	49	Very low	48.8	Very low	86 Å²	86	118.3 Å²	118.3	52%	0.521	74%	0.742	S	S	.	*			trans	-97.1	10.2	-177.7	-65.3	0	0	0	0	114.4	A21	V19-A21 PolarHBondContact O-N 2.81Å
20	A	45.6	Very low	49.6	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	73%	0.728	S	S	*	*	S	Bend	trans	-87.1	9.4	-171.4	0	0	0	0	0	116.6
21	A	42.9	Very low	50.8	Low	92 Å²	92	116.9 Å²	116.9	76%	0.76	72%	0.716	S	S	*	*	S	Bend	trans	-138.6	2.7	-178.3	0	0	0	0	0	116.5	V19	V19-A21 PolarHBondContact O-N 2.81Å
22	L	49.7	Very low	52.9	Low	176 Å²	176	113.3 Å²	113.3	92%	0.921	69%	0.69	S	S	*	*	S	Bend	trans	-122.6	27.6	176.2	-63.8	178.9	0	0	0	112.8
23	M	53.1	Low	54.9	Low	139 Å²	139	112.2 Å²	112.2	69%	0.685	68%	0.676	S	S	*	*	S	Bend	trans	-108.1	116.3	170.6	-134.5	83.8	94.2	0	0	109.5
24	D	51.5	Low	57	Low	107 Å²	107	111.2 Å²	111.2	57%	0.572	66%	0.659	S	S	*	*			trans	78.8	89.1	154.7	-42.4	-55.2	0	0	0	119.5	L26	D24-L26 PolarHBondContact O-N 2.91Å
25	P	43.6	Very low	59	Low	143 Å²	143	106.6 Å²	106.6	93%	0.929	63%	0.634	S	S	*	*	S	Bend	trans	-72.7	47.8	156.5	34	-35.2	0	0	0	111.8
26	L	47.8	Very low	61	Low	143 Å²	143	104.5 Å²	104.5	75%	0.749	62%	0.615	S	S	*	*	S	Bend	trans	-145.7	68.4	175.4	-156.6	115.8	0	0	0	109.9	D24 T28	D24-L26 PolarHBondContact O-N 2.91Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 3.06Å
27	L	42	Very low	63.2	Low	161 Å²	161	97.8 Å²	97.8	84%	0.843	58%	0.579	S	S	*	*			trans	32.1	60	146.9	-144.8	91.7	0	0	0	115	A29	L27-A29 PolarHBondContact O-N 3.42Å
28	T	46.9	Very low	65.5	Low	121 Å²	121	94.3 Å²	94.3	74%	0.742	55%	0.553	S	S	*	*			trans	-70.7	76	164	-47.6	0	0	0	0	105.6	L26 K30	L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 3.06Å; T28-K30 PolarHBondContact O-N 2.98Å
29	A	58.3	Low	68	Low	76 Å²	76	89.7 Å²	89.7	63%	0.628	52%	0.515	S	S	*	.			trans	-60.3	93.3	170.7	0	0	0	0	0	105.4	L27 D31	L27-A29 PolarHBondContact O-N 3.42Å; A29-D31 PolarHBondContact O-N 2.73Å
30	K	67.4	Low	70.2	Confident	115 Å²	115	85.9 Å²	85.9	50%	0.5	49%	0.494	S	S	.	.			trans	-49.4	122.2	175.4	-176.8	173.2	-179.1	175.7	0	106.2	T28 T32 E62	T28-K30 PolarHBondContact O-N 2.98Å; K30-T32 VanDerWaalsContact C-N 3.28Å; K30-T32 WeakPolarHBondContact O-CG2 3.42Å; K30-T32 PolarHBondContact O-N 2.76Å; K30-E62 IonicContact NZ-OE1 2.63Å; K30-E62 IonicContact NZ-OE2 2.85Å; K30-E62 PolarHBondContact NZ-OE2 3.2Å
31	D	81.5	Confident	72.5	Confident	119 Å²	119	83.3 Å²	83.3	64%	0.636	48%	0.476	S	S	*	.			trans	-71.8	89.5	-172.7	-154.7	-59.4	0	0	0	108.9	A29 T33	A29-D31 PolarHBondContact O-N 2.73Å; D31-T33 PolarHBondContact O-N 3.41Å; D31-T33 WeakPolarHBondContact OD1-CB 3.15Å; D31-T33 PolarHBondContact OD1-N 2.77Å; D31-T33 PolarHBondContact OD1-OG1 3.21Å
32	T	88.5	Confident	75	Confident	39 Å²	39	79 Å²	79	24%	0.239	44%	0.44	C	S	.	.			trans	-83.4	11.5	-178.1	64.3	0	0	0	0	112.1	K30 F34 T35 K36 T82	K30-T32 VanDerWaalsContact C-N 3.28Å; K30-T32 WeakPolarHBondContact O-CG2 3.42Å; K30-T32 PolarHBondContact O-N 2.76Å; T32-F34 PolarHBondContact O-N 2.92Å; T32-F34 VanDerWaalsContact O-N 3.15Å; T32-T35 WeakPolarHBondContact CA-OG1 3.16Å; T32-T35 PolarHBondContact O-N 2.79Å; T32-T35 VanDerWaalsContact O-N 3.15Å; T32-K36 WeakPolarHBondContact O-CB 3.32Å; T32-K36 PolarHBondContact O-N 3.05Å; T32-T82 HydrophobicContact CG2-CG2 3.7Å
33	T	89.7	Confident	77.1	Confident	56 Å²	56	70.8 Å²	70.8	34%	0.344	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-41.6	-174.7	-59.3	0	0	0	0	111.3	D31 Y111	D31-T33 PolarHBondContact O-N 3.41Å; D31-T33 WeakPolarHBondContact OD1-CB 3.15Å; D31-T33 PolarHBondContact OD1-N 2.77Å; D31-T33 PolarHBondContact OD1-OG1 3.21Å; T33-Y111 HydrophobicContact CG2-CD1 4.18Å; T33-Y111 HydrophobicContact CG2-CG 4.07Å; T33-Y111 WeakPolarHBondContact O-CD1 3.16Å
34	F	92.6	Very high	79.1	Confident	83 Å²	83	72.1 Å²	72.1	36%	0.364	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	2.3	-177.2	-56.8	-78.9	0	0	0	114.6	T32 R86 A89 Y111	T32-F34 PolarHBondContact O-N 2.92Å; T32-F34 VanDerWaalsContact O-N 3.15Å; F34-R86 HydrophobicContact CB-CG 4.01Å; F34-R86 VanDerWaalsContact CB-NE 3.32Å; F34-A89 WeakPolarHBondContact O-CB 3.36Å; F34-Y111 HydrophobicContact CD1-CE1 4.2Å; F34-Y111 HydrophobicContact CE1-CE1 4.38Å
35	T	94.9	Very high	81.1	Confident	16 Å²	16	73.5 Å²	73.5	10%	0.098	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-17.9	178.6	59	0	0	0	0	113	T32 M83 R86	T32-T35 WeakPolarHBondContact CA-OG1 3.16Å; T32-T35 PolarHBondContact O-N 2.79Å; T32-T35 VanDerWaalsContact O-N 3.15Å; T35-M83 VanDerWaalsContact CB-O 3.28Å; T35-M83 WeakPolarHBondContact CB-O 3.3Å; T35-M83 PolarHBondContact O-N 3.28Å; T35-R86 HydrophobicContact CG2-CB 4.46Å
36	K	95	Very high	83.5	Confident	64 Å²	64	67 Å²	67	28%	0.278	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.5	177.7	-165	168.2	-170.8	159.5	0	110.7	T32 F80 V81 A110	T32-K36 WeakPolarHBondContact O-CB 3.32Å; T32-K36 PolarHBondContact O-N 3.05Å; K36-F80 HydrophobicContact CG-CD1 4.4Å; K36-V81 CarbonylContact C-O 3.5Å; K36-V81 WeakPolarHBondContact CA-O 3.5Å; K36-A110 HydrophobicContact CB-CB 4.02Å; K36-A110 HydrophobicContact CD-CB 4.28Å; K36-A110 HydrophobicContact CG-CB 3.76Å; K36-A110 WeakPolarHBondContact O-CB 3.25Å; K36-A110 PolarHBondContact O-N 2.59Å
37	I	95.8	Very high	85.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	-176.2	-54.7	170.6	0	0	0	107.5	V39 F55 F80 V81 M83 A89 A92 V107 N108	I37-V39 HydrophobicContact CG2-CG2 4.14Å; I37-F55 HydrophobicContact CD1-CD1 4.08Å; I37-F55 HydrophobicContact CD1-CE1 4.01Å; I37-F55 HydrophobicContact CG2-CE1 4.14Å; I37-F55 HydrophobicContact CG2-CZ 4.48Å; I37-F80 VanDerWaalsContact O-CA 3.28Å; I37-F80 WeakPolarHBondContact O-CA 3.47Å; I37-V81 HydrophobicContact CB-CB 4.42Å; I37-V81 WeakPolarHBondContact CB-O 3.34Å; I37-V81 PolarHBondContact N-O 2.98Å; I37-V81 PolarHBondContact O-N 3.48Å; I37-M83 HydrophobicContact CD1-CG 3.67Å; I37-M83 HydrophobicContact CD1-SD 4.1Å; I37-M83 HydrophobicContact CG1-CG 4.49Å; I37-A89 HydrophobicContact CD1-CB 4.07Å; I37-A89 HydrophobicContact CG1-CB 4.08Å; I37-A92 HydrophobicContact CD1-CB 3.62Å; I37-V107 HydrophobicContact CG2-CG1 3.4Å; I37-N108 CarbonylContact C-O 3.59Å; I37-N108 WeakPolarHBondContact CA-O 3.37Å
38	F	95.4	Very high	88.2	Confident	53 Å²	53	59.2 Å²	59.2	23%	0.232	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.3	165.8	168.9	-95.8	0	0	0	109.5	Y78 F80 V107 N108 A110	F38-Y78 AromaticContact CE2-CD2 3.9Å; F38-Y78 HydrophobicContact CE2-CD2 3.9Å; F38-Y78 HydrophobicContact CE2-CG 4.21Å; F38-F80 HydrophobicContact CB-CD1 4.41Å; F38-F80 HydrophobicContact CB-CE1 4.18Å; F38-F80 AromaticContact CD2-CE1 3.88Å; F38-F80 HydrophobicContact CD2-CE1 3.88Å; F38-F80 HydrophobicContact CD2-CZ 4.09Å; F38-V107 WeakPolarHBondContact O-CA 3.38Å; F38-N108 PolarHBondContact N-O 2.8Å; F38-N108 PolarHBondContact O-N 2.8Å; F38-A110 HydrophobicContact CB-CB 4.35Å
39	V	96.1	Very high	90.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	111.1	176.7	-169.8	0	0	0	0	108.8	I37 L42 L51 F55 Y78 G79 V81 I100 A105 N106 V107	I37-V39 HydrophobicContact CG2-CG2 4.14Å; V39-L42 HydrophobicContact CG1-CD1 4.23Å; V39-L42 HydrophobicContact CG1-CD2 3.7Å; V39-L42 HydrophobicContact CG1-CG 4.05Å; V39-L51 HydrophobicContact CB-CD1 4.25Å; V39-L51 HydrophobicContact CG1-CD1 3.99Å; V39-L51 HydrophobicContact CG2-CD1 4.25Å; V39-F55 HydrophobicContact CG1-CE2 4.27Å; V39-F55 HydrophobicContact CG1-CZ 4.35Å; V39-F55 HydrophobicContact CG2-CE1 4.37Å; V39-F55 HydrophobicContact CG2-CE2 3.62Å; V39-F55 HydrophobicContact CG2-CZ 3.4Å; V39-F55 VanDerWaalsContact CG2-CZ 3.4Å; V39-Y78 CarbonylContact O-C 3.54Å; V39-Y78 WeakPolarHBondContact O-CA 3.32Å; V39-Y78 WeakPolarHBondContact O-CB 3.33Å; V39-G79 PolarHBondContact N-O 3.5Å; V39-G79 PolarHBondContact O-N 2.75Å; V39-V81 HydrophobicContact CG2-CG2 4.14Å; V39-I100 HydrophobicContact CG1-CD1 4Å; V39-A105 HydrophobicContact CG1-CB 4.35Å; V39-N106 CarbonylContact C-O 3.43Å; V39-N106 WeakPolarHBondContact CA-O 3.39Å; V39-V107 HydrophobicContact CG1-CG2 4.18Å; V39-V107 HydrophobicContact CG2-CG2 4.47Å
40	G	95.8	Very high	92.3	Very high	7 Å²	7	57.3 Å²	57.3	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	165.2	178.1	0	0	0	0	0	112.7	L42 A105 N106	G40-L42 VanDerWaalsContact C-N 3.33Å; G40-A105 CarbonylContact O-C 3.44Å; G40-A105 WeakPolarHBondContact O-CA 3.48Å; G40-A105 WeakPolarHBondContact O-CB 3.08Å; G40-N106 PolarHBondContact N-O 2.94Å; G40-N106 PolarHBondContact O-N 2.63Å
41	G	94.5	Very high	93.6	Very high	39 Å²	39	51.9 Å²	51.9	40%	0.402	27%	0.267	S	S	.	.	S	Bend	trans	78.1	16.9	176.6	0	0	0	0	0	114.3	G77 R103	G41-G77 PolarHBondContact N-O 2.81Å; G41-R103 WeakPolarHBondContact O-CD 3.34Å; G41-R103 WeakPolarHBondContact O-CG 3.32Å
42	L	94.8	Very high	94.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.256	C	S	.	.			trans	-66.9	141.5	178.1	-63	176	0	0	0	110.8	V39 G40 T46 L51 V66 G77 I100 A105	V39-L42 HydrophobicContact CG1-CD1 4.23Å; V39-L42 HydrophobicContact CG1-CD2 3.7Å; V39-L42 HydrophobicContact CG1-CG 4.05Å; G40-L42 VanDerWaalsContact C-N 3.33Å; L42-T46 HydrophobicContact CD1-CG2 4.37Å; L42-T46 HydrophobicContact CD2-CG2 4.3Å; L42-L51 HydrophobicContact CD1-CD1 4.05Å; L42-L51 HydrophobicContact CD2-CD1 4.22Å; L42-V66 HydrophobicContact CD1-CG2 4.24Å; L42-G77 PolarHBondContact N-O 3.06Å; L42-G77 WeakPolarHBondContact O-CA 3.42Å; L42-I100 HydrophobicContact CD2-CB 4.22Å; L42-I100 HydrophobicContact CD2-CD1 4Å; L42-I100 HydrophobicContact CD2-CG2 4.06Å; L42-A105 HydrophobicContact CD2-CB 4.37Å
43	P	94.9	Very high	94.7	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.032	27%	0.267	C	S	.	.			trans	-53.7	147	164	-27.8	37.4	0	0	0	112.1	H45 T46 D101 R103	P43-H45 WeakPolarHBondContact CB-CE1 3.28Å; P43-H45 PolarHBondContact O-N 3.3Å; P43-H45 VanDerWaalsContact O-N 3.12Å; P43-T46 WeakPolarHBondContact CD-OG1 3.47Å; P43-T46 WeakPolarHBondContact O-CB 3.49Å; P43-T46 PolarHBondContact O-N 3.15Å; P43-T46 PolarHBondContact O-OG1 2.85Å; P43-D101 HydrophobicContact CB-CB 4.42Å; P43-D101 HydrophobicContact CG-CB 3.76Å; P43-R103 HydrophobicContact CG-CB 3.58Å; P43-R103 HydrophobicContact CG-CG 4.43Å
44	Y	94.3	Very high	95	Very high	166 Å²	166	54.3 Å²	54.3	65%	0.651	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.5	-177.6	-61	-39.2	0	0	0	114.1	S75	Y44-S75 WeakPolarHBondContact CD1-O 3.39Å; Y44-S75 VanDerWaalsContact O-CB 3.3Å; Y44-S75 WeakPolarHBondContact O-CB 3.37Å
45	H	93.6	Very high	95.2	Very high	137 Å²	137	50.4 Å²	50.4	63%	0.634	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-7	174.8	62.4	-99.4	0	0	0	113.2	P43 S47	P43-H45 WeakPolarHBondContact CB-CE1 3.28Å; P43-H45 PolarHBondContact O-N 3.3Å; P43-H45 VanDerWaalsContact O-N 3.12Å; H45-S47 PolarHBondContact O-N 3.15Å
46	T	93.5	Very high	95.2	Very high	5 Å²	5	54 Å²	54	3%	0.031	26%	0.259	C	S	.	.			trans	-64.8	128.8	177.3	-61.4	0	0	0	0	109.7	L42 P43 V66 D101	L42-T46 HydrophobicContact CD1-CG2 4.37Å; L42-T46 HydrophobicContact CD2-CG2 4.3Å; P43-T46 WeakPolarHBondContact CD-OG1 3.47Å; P43-T46 WeakPolarHBondContact O-CB 3.49Å; P43-T46 PolarHBondContact O-N 3.15Å; P43-T46 PolarHBondContact O-OG1 2.85Å; T46-V66 HydrophobicContact CG2-CG2 4.46Å; T46-D101 WeakPolarHBondContact CB-OD2 3.44Å; T46-D101 WeakPolarHBondContact CG2-OD2 3.45Å; T46-D101 PolarHBondContact OG1-OD2 3.26Å
47	S	94.7	Very high	95.3	Very high	44 Å²	44	56.9 Å²	56.9	31%	0.308	27%	0.274	S	S	.	.			trans	-99.7	164.9	-179.9	65.8	0	0	0	0	111.8	H45 K49 T50 L51	H45-S47 PolarHBondContact O-N 3.15Å; S47-K49 PolarHBondContact O-N 2.84Å; S47-T50 PolarHBondContact O-N 2.73Å; S47-T50 PolarHBondContact OG-N 2.85Å; S47-T50 PolarHBondContact OG-OG1 2.74Å; S47-L51 WeakPolarHBondContact O-CB 3.28Å; S47-L51 PolarHBondContact O-N 3.5Å
48	D	95.2	Very high	95.2	Very high	97 Å²	97	58.8 Å²	58.8	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-53	-40.9	169	49.4	-88.1	0	0	0	111.8	L51 R52	D48-L51 PolarHBondContact O-N 3.18Å; D48-R52 VanDerWaalsContact O-CB 3.32Å; D48-R52 WeakPolarHBondContact O-CB 3.5Å; D48-R52 PolarHBondContact O-N 2.8Å
49	K	95.5	Very high	95.3	Very high	119 Å²	119	57.2 Å²	57.2	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-51.6	176	-170.7	-177.6	174.3	-78.5	0	112	S47 L51 R52 E53	S47-K49 PolarHBondContact O-N 2.84Å; K49-L51 VanDerWaalsContact C-N 3.31Å; K49-L51 PolarHBondContact O-N 3.3Å; K49-R52 WeakPolarHBondContact O-CB 3.44Å; K49-R52 PolarHBondContact O-N 2.78Å; K49-R52 VanDerWaalsContact O-N 3.16Å; K49-E53 HydrophobicContact CG-CG 4.47Å; K49-E53 IonicContact NZ-OE1 2.73Å; K49-E53 PolarHBondContact NZ-OE1 3.3Å; K49-E53 IonicContact NZ-OE2 2.86Å; K49-E53 PolarHBondContact NZ-OE2 3.35Å; K49-E53 WeakPolarHBondContact O-CB 3.47Å; K49-E53 WeakPolarHBondContact O-CG 3.48Å; K49-E53 PolarHBondContact O-N 2.72Å
50	T	94.3	Very high	95.3	Very high	39 Å²	39	61.7 Å²	61.7	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-39	-178.9	-46.3	0	0	0	0	111.7	S47 Y54 D101	S47-T50 PolarHBondContact O-N 2.73Å; S47-T50 PolarHBondContact OG-N 2.85Å; S47-T50 PolarHBondContact OG-OG1 2.74Å; T50-Y54 PolarHBondContact O-N 3.02Å; T50-D101 WeakPolarHBondContact CG2-OD2 3.38Å
51	L	95.4	Very high	95.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-46.4	173.7	-173.2	67.4	0	0	0	110.5	V39 L42 S47 D48 K49 Y54 F55 V66 V81	V39-L51 HydrophobicContact CB-CD1 4.25Å; V39-L51 HydrophobicContact CG1-CD1 3.99Å; V39-L51 HydrophobicContact CG2-CD1 4.25Å; L42-L51 HydrophobicContact CD1-CD1 4.05Å; L42-L51 HydrophobicContact CD2-CD1 4.22Å; S47-L51 WeakPolarHBondContact O-CB 3.28Å; S47-L51 PolarHBondContact O-N 3.5Å; D48-L51 PolarHBondContact O-N 3.18Å; K49-L51 VanDerWaalsContact C-N 3.31Å; K49-L51 PolarHBondContact O-N 3.3Å; L51-Y54 PolarHBondContact O-N 3.5Å; L51-F55 HydrophobicContact CD1-CD2 3.97Å; L51-F55 HydrophobicContact CD1-CE2 3.65Å; L51-F55 HydrophobicContact CG-CD2 4.32Å; L51-F55 HydrophobicContact CG-CE2 4.43Å; L51-F55 WeakPolarHBondContact O-CD2 3.43Å; L51-F55 PolarHBondContact O-N 2.94Å; L51-F55 VanDerWaalsContact O-N 3.16Å; L51-V66 HydrophobicContact CB-CG2 4.25Å; L51-V66 HydrophobicContact CD2-CG2 3.98Å; L51-V81 HydrophobicContact CD1-CG2 4.21Å; L51-V81 HydrophobicContact CD2-CG2 3.7Å; L51-V81 HydrophobicContact CG-CG2 3.71Å
52	R	96.6	Very high	95.3	Very high	110 Å²	110	63.6 Å²	63.6	42%	0.415	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-52.7	176.6	-168.5	-171.3	-176	130.8	10.8	111.6	D48 K49 Y54 F55 E56 I61 A64	D48-R52 VanDerWaalsContact O-CB 3.32Å; D48-R52 WeakPolarHBondContact O-CB 3.5Å; D48-R52 PolarHBondContact O-N 2.8Å; K49-R52 WeakPolarHBondContact O-CB 3.44Å; K49-R52 PolarHBondContact O-N 2.78Å; K49-R52 VanDerWaalsContact O-N 3.16Å; R52-Y54 PolarHBondContact O-N 3.24Å; R52-F55 PolarHBondContact O-N 2.95Å; R52-E56 HydrophobicContact CG-CG 4.15Å; R52-E56 IonicContact NE-OE1 3.04Å; R52-E56 PolarHBondContact NE-OE1 3.01Å; R52-E56 WeakPolarHBondContact O-CG 3.24Å; R52-E56 PolarHBondContact O-N 2.92Å; R52-I61 HydrophobicContact CB-CD1 4.34Å; R52-I61 HydrophobicContact CG-CD1 3.72Å; R52-I61 HydrophobicContact CG-CG2 4.49Å; R52-I61 VanDerWaalsContact O-CD1 3.24Å; R52-I61 WeakPolarHBondContact O-CD1 3.38Å; R52-A64 HydrophobicContact CB-CB 3.93Å; R52-A64 HydrophobicContact CG-CB 4.3Å
53	E	96.3	Very high	95.3	Very high	100 Å²	100	68.2 Å²	68.2	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-54.3	-38.6	179.4	-74.1	175.3	123.7	0	0	111.5	K49	K49-E53 HydrophobicContact CG-CG 4.47Å; K49-E53 IonicContact NZ-OE1 2.73Å; K49-E53 PolarHBondContact NZ-OE1 3.3Å; K49-E53 IonicContact NZ-OE2 2.86Å; K49-E53 PolarHBondContact NZ-OE2 3.35Å; K49-E53 WeakPolarHBondContact O-CB 3.47Å; K49-E53 WeakPolarHBondContact O-CG 3.48Å; K49-E53 PolarHBondContact O-N 2.72Å
54	Y	95.4	Very high	95.3	Very high	56 Å²	56	68.7 Å²	68.7	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-43.5	175.7	-175.8	-93	0	0	0	112.9	T50 L51 R52 Q57 F58 P98 I100	T50-Y54 PolarHBondContact O-N 3.02Å; L51-Y54 PolarHBondContact O-N 3.5Å; R52-Y54 PolarHBondContact O-N 3.24Å; Y54-Q57 VanDerWaalsContact O-CG 3.3Å; Y54-Q57 WeakPolarHBondContact O-CG 3.28Å; Y54-Q57 PolarHBondContact O-NE2 2.81Å; Y54-F58 HydrophobicContact CD1-CE2 4.4Å; Y54-F58 AromaticContact CE1-CE2 3.91Å; Y54-F58 HydrophobicContact CE1-CE2 3.91Å; Y54-F58 HydrophobicContact CE1-CZ 4.39Å; Y54-P98 HydrophobicContact CE1-CB 4.09Å; Y54-P98 HydrophobicContact CE1-CG 4.27Å; Y54-P98 WeakPolarHBondContact OH-CB 3.47Å; Y54-I100 HydrophobicContact CD1-CD1 3.72Å; Y54-I100 HydrophobicContact CD1-CG1 3.92Å; Y54-I100 HydrophobicContact CD2-CG1 4.02Å; Y54-I100 HydrophobicContact CE1-CD1 3.92Å; Y54-I100 HydrophobicContact CE1-CG1 3.97Å; Y54-I100 HydrophobicContact CE2-CG1 4.07Å; Y54-I100 HydrophobicContact CG-CD1 4.14Å; Y54-I100 HydrophobicContact CG-CG1 3.97Å
55	F	96.2	Very high	95.4	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-83.2	-17.8	-175.3	-80.1	-91.8	0	0	0	113.9	I37 V39 L51 R52 Q57 F58 I61 V81 M83 A92 I100 V107	I37-F55 HydrophobicContact CD1-CD1 4.08Å; I37-F55 HydrophobicContact CD1-CE1 4.01Å; I37-F55 HydrophobicContact CG2-CE1 4.14Å; I37-F55 HydrophobicContact CG2-CZ 4.48Å; V39-F55 HydrophobicContact CG1-CE2 4.27Å; V39-F55 HydrophobicContact CG1-CZ 4.35Å; V39-F55 HydrophobicContact CG2-CE1 4.37Å; V39-F55 HydrophobicContact CG2-CE2 3.62Å; V39-F55 HydrophobicContact CG2-CZ 3.4Å; V39-F55 VanDerWaalsContact CG2-CZ 3.4Å; L51-F55 HydrophobicContact CD1-CD2 3.97Å; L51-F55 HydrophobicContact CD1-CE2 3.65Å; L51-F55 HydrophobicContact CG-CD2 4.32Å; L51-F55 HydrophobicContact CG-CE2 4.43Å; L51-F55 WeakPolarHBondContact O-CD2 3.43Å; L51-F55 PolarHBondContact O-N 2.94Å; L51-F55 VanDerWaalsContact O-N 3.16Å; R52-F55 PolarHBondContact O-N 2.95Å; F55-Q57 PolarHBondContact O-N 3.28Å; F55-Q57 VanDerWaalsContact O-N 3.17Å; F55-F58 HydrophobicContact CD1-CD2 4.01Å; F55-F58 HydrophobicContact CD1-CE2 4.27Å; F55-F58 PolarHBondContact O-N 3.15Å; F55-I61 HydrophobicContact CB-CD1 3.55Å; F55-I61 HydrophobicContact CB-CG1 4.39Å; F55-V81 HydrophobicContact CB-CG1 3.94Å; F55-V81 HydrophobicContact CD1-CG1 4.32Å; F55-V81 HydrophobicContact CD2-CB 4.49Å; F55-V81 HydrophobicContact CD2-CG2 3.72Å; F55-V81 HydrophobicContact CE2-CG2 4Å; F55-V81 HydrophobicContact CG-CB 4.35Å; F55-V81 HydrophobicContact CG-CG1 4.01Å; F55-V81 HydrophobicContact CG-CG2 4.05Å; F55-M83 HydrophobicContact CB-SD 4.44Å; F55-A92 HydrophobicContact CD1-CB 3.8Å; F55-A92 HydrophobicContact CE1-CB 3.86Å; F55-I100 HydrophobicContact CE2-CD1 4.09Å; F55-V107 HydrophobicContact CE1-CG1 4.1Å; F55-V107 HydrophobicContact CZ-CG1 4.15Å; F55-V107 HydrophobicContact CZ-CG2 3.92Å
56	E	96.2	Very high	95.5	Very high	90 Å²	90	57.6 Å²	57.6	42%	0.421	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-60.7	-25.4	179.2	-82.5	175.5	151.7	0	0	112.7	R52 F58 G59 I61	R52-E56 HydrophobicContact CG-CG 4.15Å; R52-E56 IonicContact NE-OE1 3.04Å; R52-E56 PolarHBondContact NE-OE1 3.01Å; R52-E56 WeakPolarHBondContact O-CG 3.24Å; R52-E56 PolarHBondContact O-N 2.92Å; E56-F58 PolarHBondContact O-N 3Å; E56-G59 PolarHBondContact O-N 3.11Å; E56-G59 VanDerWaalsContact O-N 3.15Å; E56-I61 HydrophobicContact CG-CD1 3.72Å; E56-I61 HydrophobicContact CG-CG1 4.06Å
57	Q	96	Very high	95.6	Very high	126 Å²	126	59.5 Å²	59.5	59%	0.589	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-63.5	-23	174.7	76.1	-172.9	-61.2	0	0	113.6	Y54 F55	Y54-Q57 VanDerWaalsContact O-CG 3.3Å; Y54-Q57 WeakPolarHBondContact O-CG 3.28Å; Y54-Q57 PolarHBondContact O-NE2 2.81Å; F55-Q57 PolarHBondContact O-N 3.28Å; F55-Q57 VanDerWaalsContact O-N 3.17Å
58	F	95.5	Very high	95.5	Very high	40 Å²	40	61 Å²	61	18%	0.175	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-91.5	-7.9	179.2	-54.5	-67.5	0	0	0	112.8	Y54 F55 E56 M83 S88 R91 A92	Y54-F58 HydrophobicContact CD1-CE2 4.4Å; Y54-F58 AromaticContact CE1-CE2 3.91Å; Y54-F58 HydrophobicContact CE1-CE2 3.91Å; Y54-F58 HydrophobicContact CE1-CZ 4.39Å; F55-F58 HydrophobicContact CD1-CD2 4.01Å; F55-F58 HydrophobicContact CD1-CE2 4.27Å; F55-F58 PolarHBondContact O-N 3.15Å; E56-F58 PolarHBondContact O-N 3Å; F58-M83 HydrophobicContact CB-CE 4.25Å; F58-S88 WeakPolarHBondContact O-CA 3.3Å; F58-S88 WeakPolarHBondContact O-CB 3.37Å; F58-S88 PolarHBondContact O-OG 3Å; F58-S88 VanDerWaalsContact O-OG 3.1Å; F58-R91 HydrophobicContact CB-CB 4.4Å; F58-R91 HydrophobicContact CD1-CB 4.19Å; F58-R91 PolarHBondContact O-NE 3.31Å; F58-R91 PolarHBondContact O-NH2 3.34Å; F58-A92 HydrophobicContact CB-CB 4.04Å; F58-A92 HydrophobicContact CD1-CB 4.42Å; F58-A92 HydrophobicContact CD2-CB 3.57Å; F58-A92 HydrophobicContact CE2-CB 4.11Å; F58-A92 HydrophobicContact CG-CB 3.76Å
59	G	95.5	Very high	95.3	Very high	19 Å²	19	59 Å²	59	20%	0.196	29%	0.293	C	S	.	.	S	Bend	trans	138.3	-178	180	0	0	0	0	0	112.7	E56 I61 M83	E56-G59 PolarHBondContact O-N 3.11Å; E56-G59 VanDerWaalsContact O-N 3.15Å; G59-I61 PolarHBondContact O-N 3.04Å; G59-M83 WeakPolarHBondContact O-CE 3.32Å
60	D	96.3	Very high	95.1	Very high	94 Å²	94	65.2 Å²	65.2	50%	0.503	31%	0.313	S	S	.	.			trans	-61.3	134.6	179.2	-79.1	-101.9	0	0	0	113.2	K84	D60-K84 HydrophobicContact CB-CB 3.99Å; D60-K84 HydrophobicContact CB-CD 3.52Å; D60-K84 HydrophobicContact CB-CG 3.78Å; D60-K84 PolarHBondContact O-N 2.96Å; D60-K84 IonicContact OD1-NZ 3.95Å; D60-K84 PolarHBondContact OD1-NZ 3.26Å
61	I	95.8	Very high	95.1	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.2	175.3	-61.1	-176.5	0	0	0	109.9	R52 F55 E56 G59 E63 A64 V81 M83	R52-I61 HydrophobicContact CB-CD1 4.34Å; R52-I61 HydrophobicContact CG-CD1 3.72Å; R52-I61 HydrophobicContact CG-CG2 4.49Å; R52-I61 VanDerWaalsContact O-CD1 3.24Å; R52-I61 WeakPolarHBondContact O-CD1 3.38Å; F55-I61 HydrophobicContact CB-CD1 3.55Å; F55-I61 HydrophobicContact CB-CG1 4.39Å; E56-I61 HydrophobicContact CG-CD1 3.72Å; E56-I61 HydrophobicContact CG-CG1 4.06Å; G59-I61 PolarHBondContact O-N 3.04Å; I61-E63 WeakPolarHBondContact CG2-O 3.37Å; I61-A64 HydrophobicContact CG2-CB 4.08Å; I61-V81 HydrophobicContact CD1-CG1 4.12Å; I61-V81 HydrophobicContact CG1-CG1 4.36Å; I61-V81 HydrophobicContact CG2-CG1 4.14Å; I61-M83 HydrophobicContact CG1-CE 4.09Å; I61-M83 HydrophobicContact CG1-SD 4.01Å
62	E	95.1	Very high	95	Very high	79 Å²	79	76.1 Å²	76.1	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-46.4	169.2	-179.2	164.3	96.1	0	0	110.9	K30 T82 K84	K30-E62 IonicContact NZ-OE1 2.63Å; K30-E62 IonicContact NZ-OE2 2.85Å; K30-E62 PolarHBondContact NZ-OE2 3.2Å; E62-T82 WeakPolarHBondContact CA-O 3.24Å; E62-T82 HydrophobicContact CB-CG2 4.13Å; E62-T82 WeakPolarHBondContact CB-O 3.41Å; E62-T82 HydrophobicContact CG-CG2 4.45Å; E62-T82 PolarHBondContact N-O 2.79Å; E62-K84 HydrophobicContact CB-CG 4.17Å
63	E	94.6	Very high	94.7	Very high	99 Å²	99	73.5 Å²	73.5	46%	0.463	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.6	179.8	-173.6	176.4	74.6	0	0	110.7	I61 V65 V81 T82	I61-E63 WeakPolarHBondContact CG2-O 3.37Å; E63-V65 HydrophobicContact CG-CG1 4.06Å; E63-V81 CarbonylContact O-C 3.51Å; E63-V81 WeakPolarHBondContact O-CA 3.27Å; E63-T82 PolarHBondContact N-O 2.85Å; E63-T82 PolarHBondContact O-N 3.41Å
64	A	96	Very high	94.5	Very high	15 Å²	15	75.8 Å²	75.8	12%	0.124	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.9	170.8	0	0	0	0	0	109.1	R52 I61 V81	R52-A64 HydrophobicContact CB-CB 3.93Å; R52-A64 HydrophobicContact CG-CB 4.3Å; I61-A64 HydrophobicContact CG2-CB 4.08Å; A64-V81 HydrophobicContact CB-CG1 4.5Å; A64-V81 HydrophobicContact CB-CG2 4.25Å
65	V	95.9	Very high	94.4	Very high	49 Å²	49	73.8 Å²	73.8	30%	0.297	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.8	-174.9	-69.3	0	0	0	0	111.1	E63 I67 G79 F80	E63-V65 HydrophobicContact CG-CG1 4.06Å; V65-I67 HydrophobicContact CG2-CD1 4.36Å; V65-G79 CarbonylContact O-C 3.56Å; V65-G79 WeakPolarHBondContact O-CA 3.44Å; V65-F80 HydrophobicContact CG2-CB 4.11Å; V65-F80 PolarHBondContact N-O 2.98Å; V65-F80 PolarHBondContact O-N 3.48Å
66	V	96	Very high	94.3	Very high	20 Å²	20	80.6 Å²	80.6	12%	0.121	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.6	167	175.4	0	0	0	0	108.1	L42 T46 L51 T68 S75	L42-V66 HydrophobicContact CD1-CG2 4.24Å; T46-V66 HydrophobicContact CG2-CG2 4.46Å; L51-V66 HydrophobicContact CB-CG2 4.25Å; L51-V66 HydrophobicContact CD2-CG2 3.98Å; V66-T68 PolarHBondContact O-N 3.48Å; V66-S75 WeakPolarHBondContact CG1-OG 3.36Å
67	I	94.6	Very high	94.1	Very high	46 Å²	46	76.7 Å²	76.7	24%	0.236	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120	180	-55	-53.1	0	0	0	109.4	V65 R76 Y78 F80	V65-I67 HydrophobicContact CG2-CD1 4.36Å; I67-R76 WeakPolarHBondContact O-CB 3.04Å; I67-R76 PolarHBondContact O-N 3.35Å; I67-Y78 HydrophobicContact CB-CD2 4.15Å; I67-Y78 HydrophobicContact CB-CE1 4.32Å; I67-Y78 HydrophobicContact CB-CE2 3.71Å; I67-Y78 HydrophobicContact CG1-CD2 3.9Å; I67-Y78 HydrophobicContact CG1-CE2 3.48Å; I67-Y78 VanDerWaalsContact CG1-CE2 3.48Å; I67-Y78 HydrophobicContact CG2-CE1 4.36Å; I67-Y78 HydrophobicContact CG2-CE2 4.07Å; I67-Y78 WeakPolarHBondContact CG2-OH 3.17Å; I67-Y78 PolarHBondContact N-O 2.88Å; I67-F80 HydrophobicContact CD1-CD2 4.1Å; I67-F80 HydrophobicContact CD1-CE2 4.41Å; I67-F80 HydrophobicContact CG1-CD2 4.06Å; I67-F80 HydrophobicContact CG1-CE2 4.1Å
68	T	93.5	Very high	94.1	Very high	75 Å²	75	72.8 Å²	72.8	46%	0.46	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	154.8	175.3	56.9	0	0	0	0	110.9	V66 K74	V66-T68 PolarHBondContact O-N 3.48Å; T68-K74 CarbonylContact C-O 3.54Å; T68-K74 VanDerWaalsContact CA-O 3.27Å; T68-K74 WeakPolarHBondContact CA-O 3.13Å
69	D	91.4	Very high	94.1	Very high	56 Å²	56	70.9 Å²	70.9	30%	0.299	36%	0.358	S	S	.	.			trans	-72.9	126.8	170.1	177.8	-87.1	0	0	0	109.6	Q71 T72 G73 K74 R76	D69-Q71 VanDerWaalsContact C-N 3.27Å; D69-Q71 PolarHBondContact O-N 2.88Å; D69-Q71 PolarHBondContact OD1-N 2.85Å; D69-T72 WeakPolarHBondContact CB-OG1 3.41Å; D69-T72 PolarHBondContact OD1-N 2.94Å; D69-T72 PolarHBondContact OD1-OG1 2.85Å; D69-G73 VanDerWaalsContact O-CA 3.24Å; D69-G73 WeakPolarHBondContact O-CA 3.36Å; D69-G73 PolarHBondContact O-N 2.75Å; D69-K74 PolarHBondContact N-O 3.4Å; D69-R76 HydrophobicContact CB-CG 4.4Å
70	R	91.3	Very high	94.1	Very high	248 Å²	248	72.1 Å²	72.1	94%	0.936	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.4	-172.8	-173.5	177	176.9	-172.1	0.2	113.3
71	Q	93.4	Very high	94.1	Very high	186 Å²	186	67.6 Å²	67.6	87%	0.869	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-41.1	-178.4	-65.3	-175.9	-19	0	0	111.5	D69	D69-Q71 VanDerWaalsContact C-N 3.27Å; D69-Q71 PolarHBondContact O-N 2.88Å; D69-Q71 PolarHBondContact OD1-N 2.85Å
72	T	93.8	Very high	94.1	Very high	83 Å²	83	67.5 Å²	67.5	51%	0.509	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-16.4	-173.4	63.1	0	0	0	0	114	D69 K74	D69-T72 WeakPolarHBondContact CB-OG1 3.41Å; D69-T72 PolarHBondContact OD1-N 2.94Å; D69-T72 PolarHBondContact OD1-OG1 2.85Å; T72-K74 PolarHBondContact O-N 2.88Å; T72-K74 PolarHBondContact OG1-N 3.04Å
73	G	90.6	Very high	94.2	Very high	54 Å²	54	63.7 Å²	63.7	56%	0.557	32%	0.316	S	S	*	.			trans	70.4	0.1	-171.8	0	0	0	0	0	114.3	D69	D69-G73 VanDerWaalsContact O-CA 3.24Å; D69-G73 WeakPolarHBondContact O-CA 3.36Å; D69-G73 PolarHBondContact O-N 2.75Å
74	K	91.3	Very high	94.2	Very high	148 Å²	148	64 Å²	64	64%	0.643	32%	0.316	S	S	*	.			trans	-77.2	141.9	-175.9	-64.9	-178.2	179.1	-176.6	0	111	T68 D69 T72 R76	T68-K74 CarbonylContact C-O 3.54Å; T68-K74 VanDerWaalsContact CA-O 3.27Å; T68-K74 WeakPolarHBondContact CA-O 3.13Å; D69-K74 PolarHBondContact N-O 3.4Å; T72-K74 PolarHBondContact O-N 2.88Å; T72-K74 PolarHBondContact OG1-N 3.04Å; K74-R76 PolarHBondContact O-N 3.1Å
75	S	93.5	Very high	94.1	Very high	14 Å²	14	68.5 Å²	68.5	10%	0.098	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	136.3	172.9	176	0	0	0	0	111.2	Y44 V66 G77	Y44-S75 WeakPolarHBondContact CD1-O 3.39Å; Y44-S75 VanDerWaalsContact O-CB 3.3Å; Y44-S75 WeakPolarHBondContact O-CB 3.37Å; V66-S75 WeakPolarHBondContact CG1-OG 3.36Å; S75-G77 PolarHBondContact O-N 3.29Å; S75-G77 PolarHBondContact OG-N 2.95Å; S75-G77 VanDerWaalsContact OG-N 3.11Å
76	R	93.2	Very high	94	Very high	144 Å²	144	72.4 Å²	72.4	54%	0.543	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	1.3	172.9	-60.9	-171.1	68.5	-178.2	1.3	112.6	I67 D69 K74 Y78	I67-R76 WeakPolarHBondContact O-CB 3.04Å; I67-R76 PolarHBondContact O-N 3.35Å; D69-R76 HydrophobicContact CB-CG 4.4Å; K74-R76 PolarHBondContact O-N 3.1Å; R76-Y78 VanDerWaalsContact C-N 3.34Å; R76-Y78 HydrophobicContact CB-CD1 3.65Å; R76-Y78 HydrophobicContact CB-CE1 3.4Å; R76-Y78 HydrophobicContact CG-CE1 4.23Å; R76-Y78 PolarHBondContact NH1-OH 2.78Å
77	G	93.8	Very high	93.9	Very high	8 Å²	8	74.8 Å²	74.8	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.7	20.6	-179.2	0	0	0	0	0	114	G41 L42 S75	G41-G77 PolarHBondContact N-O 2.81Å; L42-G77 PolarHBondContact N-O 3.06Å; L42-G77 WeakPolarHBondContact O-CA 3.42Å; S75-G77 PolarHBondContact O-N 3.29Å; S75-G77 PolarHBondContact OG-N 2.95Å; S75-G77 VanDerWaalsContact OG-N 3.11Å
78	Y	95.2	Very high	94	Very high	44 Å²	44	72.6 Å²	72.6	17%	0.173	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160.2	171.9	73.1	-85.9	0	0	0	111.5	F38 V39 I67 R76 F80	F38-Y78 AromaticContact CE2-CD2 3.9Å; F38-Y78 HydrophobicContact CE2-CD2 3.9Å; F38-Y78 HydrophobicContact CE2-CG 4.21Å; V39-Y78 CarbonylContact O-C 3.54Å; V39-Y78 WeakPolarHBondContact O-CA 3.32Å; V39-Y78 WeakPolarHBondContact O-CB 3.33Å; I67-Y78 HydrophobicContact CB-CD2 4.15Å; I67-Y78 HydrophobicContact CB-CE1 4.32Å; I67-Y78 HydrophobicContact CB-CE2 3.71Å; I67-Y78 HydrophobicContact CG1-CD2 3.9Å; I67-Y78 HydrophobicContact CG1-CE2 3.48Å; I67-Y78 VanDerWaalsContact CG1-CE2 3.48Å; I67-Y78 HydrophobicContact CG2-CE1 4.36Å; I67-Y78 HydrophobicContact CG2-CE2 4.07Å; I67-Y78 WeakPolarHBondContact CG2-OH 3.17Å; I67-Y78 PolarHBondContact N-O 2.88Å; R76-Y78 VanDerWaalsContact C-N 3.34Å; R76-Y78 HydrophobicContact CB-CD1 3.65Å; R76-Y78 HydrophobicContact CB-CE1 3.4Å; R76-Y78 HydrophobicContact CG-CE1 4.23Å; R76-Y78 PolarHBondContact NH1-OH 2.78Å; Y78-F80 HydrophobicContact CD2-CE2 4.25Å; Y78-F80 AromaticContact CE2-CE2 4Å; Y78-F80 HydrophobicContact CE2-CE2 4Å
79	G	95.6	Very high	94.1	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	177.9	-178.2	0	0	0	0	0	112.1	V39 V65	V39-G79 PolarHBondContact N-O 3.5Å; V39-G79 PolarHBondContact O-N 2.75Å; V65-G79 CarbonylContact O-C 3.56Å; V65-G79 WeakPolarHBondContact O-CA 3.44Å
80	F	96	Very high	94.2	Very high	45 Å²	45	71.5 Å²	71.5	20%	0.197	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.8	173.6	-65.4	-84.4	0	0	0	110.1	K36 I37 F38 V65 I67 Y78 A110	K36-F80 HydrophobicContact CG-CD1 4.4Å; I37-F80 VanDerWaalsContact O-CA 3.28Å; I37-F80 WeakPolarHBondContact O-CA 3.47Å; F38-F80 HydrophobicContact CB-CD1 4.41Å; F38-F80 HydrophobicContact CB-CE1 4.18Å; F38-F80 AromaticContact CD2-CE1 3.88Å; F38-F80 HydrophobicContact CD2-CE1 3.88Å; F38-F80 HydrophobicContact CD2-CZ 4.09Å; V65-F80 HydrophobicContact CG2-CB 4.11Å; V65-F80 PolarHBondContact N-O 2.98Å; V65-F80 PolarHBondContact O-N 3.48Å; I67-F80 HydrophobicContact CD1-CD2 4.1Å; I67-F80 HydrophobicContact CD1-CE2 4.41Å; I67-F80 HydrophobicContact CG1-CD2 4.06Å; I67-F80 HydrophobicContact CG1-CE2 4.1Å; Y78-F80 HydrophobicContact CD2-CE2 4.25Å; Y78-F80 AromaticContact CE2-CE2 4Å; Y78-F80 HydrophobicContact CE2-CE2 4Å; F80-A110 HydrophobicContact CD1-CB 4.18Å; F80-A110 HydrophobicContact CE1-CB 4.17Å
81	V	96.4	Very high	94.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.2	173.4	-177.6	0	0	0	0	108.4	K36 I37 V39 L51 F55 I61 E63 A64 M83	K36-V81 CarbonylContact C-O 3.5Å; K36-V81 WeakPolarHBondContact CA-O 3.5Å; I37-V81 HydrophobicContact CB-CB 4.42Å; I37-V81 WeakPolarHBondContact CB-O 3.34Å; I37-V81 PolarHBondContact N-O 2.98Å; I37-V81 PolarHBondContact O-N 3.48Å; V39-V81 HydrophobicContact CG2-CG2 4.14Å; L51-V81 HydrophobicContact CD1-CG2 4.21Å; L51-V81 HydrophobicContact CD2-CG2 3.7Å; L51-V81 HydrophobicContact CG-CG2 3.71Å; F55-V81 HydrophobicContact CB-CG1 3.94Å; F55-V81 HydrophobicContact CD1-CG1 4.32Å; F55-V81 HydrophobicContact CD2-CB 4.49Å; F55-V81 HydrophobicContact CD2-CG2 3.72Å; F55-V81 HydrophobicContact CE2-CG2 4Å; F55-V81 HydrophobicContact CG-CB 4.35Å; F55-V81 HydrophobicContact CG-CG1 4.01Å; F55-V81 HydrophobicContact CG-CG2 4.05Å; I61-V81 HydrophobicContact CD1-CG1 4.12Å; I61-V81 HydrophobicContact CG1-CG1 4.36Å; I61-V81 HydrophobicContact CG2-CG1 4.14Å; E63-V81 CarbonylContact O-C 3.51Å; E63-V81 WeakPolarHBondContact O-CA 3.27Å; A64-V81 HydrophobicContact CB-CG1 4.5Å; A64-V81 HydrophobicContact CB-CG2 4.25Å; V81-M83 HydrophobicContact CG1-SD 3.72Å
82	T	95.5	Very high	94.5	Very high	4 Å²	4	57 Å²	57	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.7	174	-53.2	0	0	0	0	107.8	T32 E62 E63	T32-T82 HydrophobicContact CG2-CG2 3.7Å; E62-T82 WeakPolarHBondContact CA-O 3.24Å; E62-T82 HydrophobicContact CB-CG2 4.13Å; E62-T82 WeakPolarHBondContact CB-O 3.41Å; E62-T82 HydrophobicContact CG-CG2 4.45Å; E62-T82 PolarHBondContact N-O 2.79Å; E63-T82 PolarHBondContact N-O 2.85Å; E63-T82 PolarHBondContact O-N 3.41Å
83	M	96.1	Very high	94.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.3	174.9	-54.3	-55.3	-69.5	0	0	110.3	T35 I37 F55 F58 G59 I61 V81 E85 A89	T35-M83 VanDerWaalsContact CB-O 3.28Å; T35-M83 WeakPolarHBondContact CB-O 3.3Å; T35-M83 PolarHBondContact O-N 3.28Å; I37-M83 HydrophobicContact CD1-CG 3.67Å; I37-M83 HydrophobicContact CD1-SD 4.1Å; I37-M83 HydrophobicContact CG1-CG 4.49Å; F55-M83 HydrophobicContact CB-SD 4.44Å; F58-M83 HydrophobicContact CB-CE 4.25Å; G59-M83 WeakPolarHBondContact O-CE 3.32Å; I61-M83 HydrophobicContact CG1-CE 4.09Å; I61-M83 HydrophobicContact CG1-SD 4.01Å; V81-M83 HydrophobicContact CG1-SD 3.72Å; M83-E85 VanDerWaalsContact C-N 3.3Å; M83-E85 WeakPolarHBondContact CB-O 3.39Å; M83-E85 PolarHBondContact O-N 3.05Å; M83-A89 HydrophobicContact CB-CB 4.16Å; M83-A89 HydrophobicContact CG-CB 3.83Å
84	K	94.4	Very high	94.8	Very high	106 Å²	106	60.7 Å²	60.7	46%	0.461	27%	0.269	S	S	.	.	S	Bend	trans	-66.7	-34	172.4	-71.5	-166.1	-167	152.2	0	112.4	D60 E62	D60-K84 HydrophobicContact CB-CB 3.99Å; D60-K84 HydrophobicContact CB-CD 3.52Å; D60-K84 HydrophobicContact CB-CG 3.78Å; D60-K84 PolarHBondContact O-N 2.96Å; D60-K84 IonicContact OD1-NZ 3.95Å; D60-K84 PolarHBondContact OD1-NZ 3.26Å; E62-K84 HydrophobicContact CB-CG 4.17Å
85	E	93.7	Very high	94.8	Very high	109 Å²	109	57.7 Å²	57.7	51%	0.509	26%	0.261	S	S	.	.	S	Bend	trans	-119.6	146.2	-176.6	-62.7	-169.8	97.7	0	0	112.3	M83 S88 A89	M83-E85 VanDerWaalsContact C-N 3.3Å; M83-E85 WeakPolarHBondContact CB-O 3.39Å; M83-E85 PolarHBondContact O-N 3.05Å; E85-S88 PolarHBondContact O-N 3.13Å; E85-A89 PolarHBondContact O-N 3.15Å
86	R	93.9	Very high	94.8	Very high	130 Å²	130	59.6 Å²	59.6	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-43.5	176.1	179.8	-176.7	-70.1	-177.6	-2.1	112	F34 T35 S88 A89 E90	F34-R86 HydrophobicContact CB-CG 4.01Å; F34-R86 VanDerWaalsContact CB-NE 3.32Å; T35-R86 HydrophobicContact CG2-CB 4.46Å; R86-S88 PolarHBondContact O-N 2.96Å; R86-A89 WeakPolarHBondContact O-CA 3.44Å; R86-A89 WeakPolarHBondContact O-CB 3.21Å; R86-A89 PolarHBondContact O-N 3.2Å; R86-E90 HydrophobicContact CG-CG 4.36Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 3.34Å
87	T	95.3	Very high	94.9	Very high	71 Å²	71	55.8 Å²	55.8	44%	0.436	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-36.5	179.7	52	0	0	0	0	111.9	E90 R91	T87-E90 PolarHBondContact O-N 3.16Å; T87-R91 WeakPolarHBondContact O-CG 3.32Å; T87-R91 PolarHBondContact O-N 3.07Å
88	S	95.9	Very high	95	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-38.3	174.6	-60.5	0	0	0	0	111.9	F58 E85 R86 R91 A92	F58-S88 WeakPolarHBondContact O-CA 3.3Å; F58-S88 WeakPolarHBondContact O-CB 3.37Å; F58-S88 PolarHBondContact O-OG 3Å; F58-S88 VanDerWaalsContact O-OG 3.1Å; E85-S88 PolarHBondContact O-N 3.13Å; R86-S88 PolarHBondContact O-N 2.96Å; S88-R91 PolarHBondContact O-N 2.93Å; S88-R91 PolarHBondContact OG-NH2 2.99Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 3.2Å
89	A	95.6	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-40.4	174.1	0	0	0	0	0	113.1	F34 I37 M83 E85 R86 A92 C93 L109	F34-A89 WeakPolarHBondContact O-CB 3.36Å; I37-A89 HydrophobicContact CD1-CB 4.07Å; I37-A89 HydrophobicContact CG1-CB 4.08Å; M83-A89 HydrophobicContact CB-CB 4.16Å; M83-A89 HydrophobicContact CG-CB 3.83Å; E85-A89 PolarHBondContact O-N 3.15Å; R86-A89 WeakPolarHBondContact O-CA 3.44Å; R86-A89 WeakPolarHBondContact O-CB 3.21Å; R86-A89 PolarHBondContact O-N 3.2Å; A89-A92 PolarHBondContact O-N 3.26Å; A89-C93 PolarHBondContact O-N 3.37Å; A89-C93 PolarHBondContact O-SG 2.85Å; A89-L109 HydrophobicContact CB-CD2 4.18Å
90	E	94.2	Very high	94.9	Very high	107 Å²	107	58.4 Å²	58.4	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-42.7	174.5	-69	174.5	118	0	0	111.7	R86 T87 C93 K94	R86-E90 HydrophobicContact CG-CG 4.36Å; R86-E90 WeakPolarHBondContact O-CG 3.45Å; R86-E90 PolarHBondContact O-N 3.34Å; T87-E90 PolarHBondContact O-N 3.16Å; E90-C93 PolarHBondContact O-N 3.17Å; E90-K94 PolarHBondContact O-N 3.42Å; E90-K94 VanDerWaalsContact O-N 3.13Å
91	R	95.8	Very high	94.7	Very high	128 Å²	128	59.5 Å²	59.5	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-44.9	173.8	-76.2	-173.8	-67.7	-179.9	-5.8	112	F58 T87 S88 C93 K94	F58-R91 HydrophobicContact CB-CB 4.4Å; F58-R91 HydrophobicContact CD1-CB 4.19Å; F58-R91 PolarHBondContact O-NE 3.31Å; F58-R91 PolarHBondContact O-NH2 3.34Å; T87-R91 WeakPolarHBondContact O-CG 3.32Å; T87-R91 PolarHBondContact O-N 3.07Å; S88-R91 PolarHBondContact O-N 2.93Å; S88-R91 PolarHBondContact OG-NH2 2.99Å; R91-C93 VanDerWaalsContact C-N 3.29Å; R91-C93 PolarHBondContact O-N 3.15Å; R91-K94 WeakPolarHBondContact O-CB 3.17Å; R91-K94 PolarHBondContact O-N 3.19Å
92	A	95.3	Very high	94.6	Very high	3 Å²	3	63 Å²	63	3%	0.025	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-30.4	179.2	0	0	0	0	0	113.1	I37 F55 F58 S88 A89	I37-A92 HydrophobicContact CD1-CB 3.62Å; F55-A92 HydrophobicContact CD1-CB 3.8Å; F55-A92 HydrophobicContact CE1-CB 3.86Å; F58-A92 HydrophobicContact CB-CB 4.04Å; F58-A92 HydrophobicContact CD1-CB 4.42Å; F58-A92 HydrophobicContact CD2-CB 3.57Å; F58-A92 HydrophobicContact CE2-CB 4.11Å; F58-A92 HydrophobicContact CG-CB 3.76Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 3.2Å; A89-A92 PolarHBondContact O-N 3.26Å
93	C	94.3	Very high	94.5	Very high	28 Å²	28	68.8 Å²	68.8	19%	0.189	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.1	176.8	-61.7	0	0	0	0	113.6	A89 E90 R91 D95	A89-C93 PolarHBondContact O-N 3.37Å; A89-C93 PolarHBondContact O-SG 2.85Å; E90-C93 PolarHBondContact O-N 3.17Å; R91-C93 VanDerWaalsContact C-N 3.29Å; R91-C93 PolarHBondContact O-N 3.15Å; C93-D95 VanDerWaalsContact C-N 3.33Å; C93-D95 PolarHBondContact O-N 3.23Å
94	K	94.8	Very high	94.5	Very high	185 Å²	185	75 Å²	75	80%	0.804	37%	0.37	S	S	*	.	S	Bend	trans	-63.9	-38.6	180	-172.9	179.3	179	-178.1	0	112.2	E90 R91 P96	E90-K94 PolarHBondContact O-N 3.42Å; E90-K94 VanDerWaalsContact O-N 3.13Å; R91-K94 WeakPolarHBondContact O-CB 3.17Å; R91-K94 PolarHBondContact O-N 3.19Å; K94-P96 WeakPolarHBondContact O-CD 3.45Å
95	D	92.8	Very high	94.6	Very high	86 Å²	86	70.1 Å²	70.1	46%	0.46	35%	0.349	S	S	.	.	S	Bend	trans	-99.3	104.5	165.8	-179.8	14.4	0	0	0	108.5	C93 N97 P98	C93-D95 VanDerWaalsContact C-N 3.33Å; C93-D95 PolarHBondContact O-N 3.23Å; D95-N97 PolarHBondContact O-N 3.11Å; D95-N97 PolarHBondContact OD1-N 3.12Å; D95-N97 VanDerWaalsContact OD1-N 3.09Å; D95-P98 WeakPolarHBondContact O-CD 3.42Å
96	P	93	Very high	94.7	Very high	54 Å²	54	67.9 Å²	67.9	35%	0.351	34%	0.341	S	S	.	.	S	Bend	trans	-71	-13.6	-178.8	29.1	-35.4	0	0	0	112.5	K94 N106 V107	K94-P96 WeakPolarHBondContact O-CD 3.45Å; P96-N106 WeakPolarHBondContact O-CA 3.41Å; P96-N106 PolarHBondContact O-OD1 3.05Å; P96-V107 PolarHBondContact O-N 2.99Å
97	N	95.5	Very high	94.7	Very high	63 Å²	63	61.7 Å²	61.7	34%	0.337	32%	0.317	S	S	.	.	S	Bend	trans	-132.6	61	-175.9	-48	140.8	0	0	0	115.7	D95 K104 A105	D95-N97 PolarHBondContact O-N 3.11Å; D95-N97 PolarHBondContact OD1-N 3.12Å; D95-N97 VanDerWaalsContact OD1-N 3.09Å; N97-K104 HydrophobicContact CB-CD 4.28Å; N97-K104 HydrophobicContact CB-CG 4.12Å; N97-A105 CarbonylContact C-O 3.42Å; N97-A105 VanDerWaalsContact CA-O 3.25Å; N97-A105 WeakPolarHBondContact CA-O 3.43Å
98	P	95.3	Very high	94.7	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	31%	0.31	C	S	.	.			trans	-69.1	160	-179.5	28.1	-32.6	0	0	0	112.7	Y54 D95 I100 A105 V107	Y54-P98 HydrophobicContact CE1-CB 4.09Å; Y54-P98 HydrophobicContact CE1-CG 4.27Å; Y54-P98 WeakPolarHBondContact OH-CB 3.47Å; D95-P98 WeakPolarHBondContact O-CD 3.42Å; P98-I100 HydrophobicContact CG-CD1 4.4Å; P98-I100 HydrophobicContact CG-CG1 4.48Å; P98-A105 HydrophobicContact CG-CB 4.43Å; P98-A105 PolarHBondContact O-N 3.36Å; P98-V107 HydrophobicContact CG-CB 4.38Å; P98-V107 HydrophobicContact CG-CG2 3.44Å; P98-V107 VanDerWaalsContact CG-CG2 3.44Å
99	I	94.9	Very high	94.6	Very high	101 Å²	101	62 Å²	62	52%	0.518	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.3	168.5	-54	-54.6	0	0	0	109.1	R103 K104	I99-R103 WeakPolarHBondContact CA-O 3.2Å; I99-K104 HydrophobicContact CD1-CB 3.82Å; I99-K104 HydrophobicContact CD1-CG 4.23Å
100	I	93.9	Very high	94.4	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.3	176	-55.7	177.6	0	0	0	107.4	V39 L42 Y54 F55 P98 G102 R103 A105	V39-I100 HydrophobicContact CG1-CD1 4Å; L42-I100 HydrophobicContact CD2-CB 4.22Å; L42-I100 HydrophobicContact CD2-CD1 4Å; L42-I100 HydrophobicContact CD2-CG2 4.06Å; Y54-I100 HydrophobicContact CD1-CD1 3.72Å; Y54-I100 HydrophobicContact CD1-CG1 3.92Å; Y54-I100 HydrophobicContact CD2-CG1 4.02Å; Y54-I100 HydrophobicContact CE1-CD1 3.92Å; Y54-I100 HydrophobicContact CE1-CG1 3.97Å; Y54-I100 HydrophobicContact CE2-CG1 4.07Å; Y54-I100 HydrophobicContact CG-CD1 4.14Å; Y54-I100 HydrophobicContact CG-CG1 3.97Å; F55-I100 HydrophobicContact CE2-CD1 4.09Å; P98-I100 HydrophobicContact CG-CD1 4.4Å; P98-I100 HydrophobicContact CG-CG1 4.48Å; I100-G102 PolarHBondContact O-N 3Å; I100-G102 VanDerWaalsContact O-N 3.16Å; I100-R103 PolarHBondContact N-O 3.43Å; I100-R103 PolarHBondContact O-N 3.16Å; I100-R103 VanDerWaalsContact O-O 3.12Å; I100-A105 HydrophobicContact CB-CB 4.48Å; I100-A105 HydrophobicContact CD1-CB 3.91Å; I100-A105 HydrophobicContact CG1-CB 4.15Å
101	D	92.5	Very high	94.2	Very high	68 Å²	68	62.6 Å²	62.6	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.7	-175.5	-77.5	-54.1	0	0	0	113.2	P43 T46 T50 R103	P43-D101 HydrophobicContact CB-CB 4.42Å; P43-D101 HydrophobicContact CG-CB 3.76Å; T46-D101 WeakPolarHBondContact CB-OD2 3.44Å; T46-D101 WeakPolarHBondContact CG2-OD2 3.45Å; T46-D101 PolarHBondContact OG1-OD2 3.26Å; T50-D101 WeakPolarHBondContact CG2-OD2 3.38Å; D101-R103 PolarHBondContact O-N 2.75Å
102	G	93.9	Very high	93.8	Very high	74 Å²	74	61.5 Å²	61.5	76%	0.763	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	7.2	179.2	0	0	0	0	0	115.4	I100	I100-G102 PolarHBondContact O-N 3Å; I100-G102 VanDerWaalsContact O-N 3.16Å
103	R	94	Very high	92.8	Very high	125 Å²	125	63.8 Å²	63.8	47%	0.472	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.4	174.2	-178.2	174.9	-78.6	-178.7	-5.9	111.1	G41 P43 I99 I100 D101 A105	G41-R103 WeakPolarHBondContact O-CD 3.34Å; G41-R103 WeakPolarHBondContact O-CG 3.32Å; P43-R103 HydrophobicContact CG-CB 3.58Å; P43-R103 HydrophobicContact CG-CG 4.43Å; I99-R103 WeakPolarHBondContact CA-O 3.2Å; I100-R103 PolarHBondContact N-O 3.43Å; I100-R103 PolarHBondContact O-N 3.16Å; I100-R103 VanDerWaalsContact O-O 3.12Å; D101-R103 PolarHBondContact O-N 2.75Å; R103-A105 PolarHBondContact O-N 2.94Å
104	K	95.9	Very high	91.5	Very high	132 Å²	132	65.8 Å²	65.8	57%	0.574	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	114.8	173.1	-169.9	173.9	-177.3	176.3	0	110.2	N97 I99	N97-K104 HydrophobicContact CB-CD 4.28Å; N97-K104 HydrophobicContact CB-CG 4.12Å; I99-K104 HydrophobicContact CD1-CB 3.82Å; I99-K104 HydrophobicContact CD1-CG 4.23Å
105	A	96	Very high	89.7	Confident	3 Å²	3	65.8 Å²	65.8	3%	0.025	36%	0.363	C	S	.	.			trans	-93.8	167.3	173.3	0	0	0	0	0	110.5	V39 G40 L42 N97 P98 I100 R103	V39-A105 HydrophobicContact CG1-CB 4.35Å; G40-A105 CarbonylContact O-C 3.44Å; G40-A105 WeakPolarHBondContact O-CA 3.48Å; G40-A105 WeakPolarHBondContact O-CB 3.08Å; L42-A105 HydrophobicContact CD2-CB 4.37Å; N97-A105 CarbonylContact C-O 3.42Å; N97-A105 VanDerWaalsContact CA-O 3.25Å; N97-A105 WeakPolarHBondContact CA-O 3.43Å; P98-A105 HydrophobicContact CG-CB 4.43Å; P98-A105 PolarHBondContact O-N 3.36Å; I100-A105 HydrophobicContact CB-CB 4.48Å; I100-A105 HydrophobicContact CD1-CB 3.91Å; I100-A105 HydrophobicContact CG1-CB 4.15Å; R103-A105 PolarHBondContact O-N 2.94Å
106	N	95.2	Very high	87.9	Confident	61 Å²	61	67.3 Å²	67.3	33%	0.326	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.3	171.9	-179.3	43.1	0	0	0	109	V39 G40 P96 N108	V39-N106 CarbonylContact C-O 3.43Å; V39-N106 WeakPolarHBondContact CA-O 3.39Å; G40-N106 PolarHBondContact N-O 2.94Å; G40-N106 PolarHBondContact O-N 2.63Å; P96-N106 WeakPolarHBondContact O-CA 3.41Å; P96-N106 PolarHBondContact O-OD1 3.05Å; N106-N108 PolarHBondContact ND2-ND2 3.42Å; N106-N108 VanDerWaalsContact ND2-ND2 3.2Å; N106-N108 PolarHBondContact OD1-ND2 3.3Å; N106-N108 VanDerWaalsContact OD1-ND2 3.15Å
107	V	95.4	Very high	85.7	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.006	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126	-175.3	178.9	0	0	0	0	109.1	I37 F38 V39 F55 P96 P98	I37-V107 HydrophobicContact CG2-CG1 3.4Å; F38-V107 WeakPolarHBondContact O-CA 3.38Å; V39-V107 HydrophobicContact CG1-CG2 4.18Å; V39-V107 HydrophobicContact CG2-CG2 4.47Å; F55-V107 HydrophobicContact CE1-CG1 4.1Å; F55-V107 HydrophobicContact CZ-CG1 4.15Å; F55-V107 HydrophobicContact CZ-CG2 3.92Å; P96-V107 PolarHBondContact O-N 2.99Å; P98-V107 HydrophobicContact CG-CB 4.38Å; P98-V107 HydrophobicContact CG-CG2 3.44Å; P98-V107 VanDerWaalsContact CG-CG2 3.44Å
108	N	94.3	Very high	83.1	Confident	54 Å²	54	77.7 Å²	77.7	29%	0.289	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.9	176.7	-74.1	-68.8	0	0	0	110.4	I37 F38 N106 A110 L112	I37-N108 CarbonylContact C-O 3.59Å; I37-N108 WeakPolarHBondContact CA-O 3.37Å; F38-N108 PolarHBondContact N-O 2.8Å; F38-N108 PolarHBondContact O-N 2.8Å; N106-N108 PolarHBondContact ND2-ND2 3.42Å; N106-N108 VanDerWaalsContact ND2-ND2 3.2Å; N106-N108 PolarHBondContact OD1-ND2 3.3Å; N106-N108 VanDerWaalsContact OD1-ND2 3.15Å; N108-A110 PolarHBondContact O-N 2.78Å; N108-L112 HydrophobicContact CB-CD1 4.38Å
109	L	93.6	Very high	80.5	Confident	24 Å²	24	83.7 Å²	83.7	13%	0.126	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.1	168.1	-64.9	172	0	0	0	109.5	A89 Y111 L112	A89-L109 HydrophobicContact CB-CD2 4.18Å; L109-Y111 HydrophobicContact CB-CD1 3.56Å; L109-Y111 HydrophobicContact CB-CE1 3.36Å; L109-Y111 HydrophobicContact CD1-CD1 4.46Å; L109-Y111 HydrophobicContact CD1-CE1 3.52Å; L109-Y111 HydrophobicContact CG-CE1 4.03Å; L109-Y111 PolarHBondContact O-N 3.48Å; L109-Y111 VanDerWaalsContact O-N 3.15Å; L109-L112 HydrophobicContact CB-CD1 4.13Å; L109-L112 HydrophobicContact CB-CG 4.32Å; L109-L112 VanDerWaalsContact O-CB 3.28Å; L109-L112 WeakPolarHBondContact O-CB 2.97Å; L109-L112 PolarHBondContact O-N 3.2Å
110	A	91.7	Very high	78.1	Confident	13 Å²	13	84.2 Å²	84.2	11%	0.107	46%	0.462	C	S	.	.	H	α-helix	trans	-61.9	-30	-168.3	0	0	0	0	0	112.7	K36 F38 F80 N108 L112 G113 A114	K36-A110 HydrophobicContact CB-CB 4.02Å; K36-A110 HydrophobicContact CD-CB 4.28Å; K36-A110 HydrophobicContact CG-CB 3.76Å; K36-A110 WeakPolarHBondContact O-CB 3.25Å; K36-A110 PolarHBondContact O-N 2.59Å; F38-A110 HydrophobicContact CB-CB 4.35Å; F80-A110 HydrophobicContact CD1-CB 4.18Å; F80-A110 HydrophobicContact CE1-CB 4.17Å; N108-A110 PolarHBondContact O-N 2.78Å; A110-L112 PolarHBondContact O-N 2.89Å; A110-G113 PolarHBondContact O-N 3.37Å; A110-G113 VanDerWaalsContact O-N 3.11Å; A110-A114 PolarHBondContact O-N 3.27Å
111	Y	89.7	Confident	75.8	Confident	106 Å²	106	92.2 Å²	92.2	42%	0.416	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-27.1	176.1	79	-92.9	0	0	0	113	T33 F34 L109 G113	T33-Y111 HydrophobicContact CG2-CD1 4.18Å; T33-Y111 HydrophobicContact CG2-CG 4.07Å; T33-Y111 WeakPolarHBondContact O-CD1 3.16Å; F34-Y111 HydrophobicContact CD1-CE1 4.2Å; F34-Y111 HydrophobicContact CE1-CE1 4.38Å; L109-Y111 HydrophobicContact CB-CD1 3.56Å; L109-Y111 HydrophobicContact CB-CE1 3.36Å; L109-Y111 HydrophobicContact CD1-CD1 4.46Å; L109-Y111 HydrophobicContact CD1-CE1 3.52Å; L109-Y111 HydrophobicContact CG-CE1 4.03Å; L109-Y111 PolarHBondContact O-N 3.48Å; L109-Y111 VanDerWaalsContact O-N 3.15Å; Y111-G113 VanDerWaalsContact C-N 3.3Å; Y111-G113 PolarHBondContact O-N 2.86Å
112	L	87.5	Confident	73.5	Confident	105 Å²	105	96 Å²	96	55%	0.55	52%	0.519	S	S	.	.	H	α-helix	trans	-68.6	-33.2	176.5	-62.2	170.7	0	0	0	111.6	N108 L109 A110	N108-L112 HydrophobicContact CB-CD1 4.38Å; L109-L112 HydrophobicContact CB-CD1 4.13Å; L109-L112 HydrophobicContact CB-CG 4.32Å; L109-L112 VanDerWaalsContact O-CB 3.28Å; L109-L112 WeakPolarHBondContact O-CB 2.97Å; L109-L112 PolarHBondContact O-N 3.2Å; A110-L112 PolarHBondContact O-N 2.89Å
113	G	75.2	Confident	70.9	Confident	51 Å²	51	95.5 Å²	95.5	53%	0.526	51%	0.514	S	S	.	.	H	α-helix	trans	-97	-8	-177.9	0	0	0	0	0	114.4	A110 Y111 K115	A110-G113 PolarHBondContact O-N 3.37Å; A110-G113 VanDerWaalsContact O-N 3.11Å; Y111-G113 VanDerWaalsContact C-N 3.3Å; Y111-G113 PolarHBondContact O-N 2.86Å; G113-K115 PolarHBondContact O-N 2.73Å
114	A	67.2	Low	68.7	Low	70 Å²	70	98.1 Å²	98.1	58%	0.579	53%	0.531	S	S	*	.			trans	-71.1	61.6	178.9	0	0	0	0	0	111.2	A110	A110-A114 PolarHBondContact O-N 3.27Å
115	K	57.1	Low	66.7	Low	184 Å²	184	100.5 Å²	100.5	80%	0.8	54%	0.544	S	S	*	.			trans	-56	126.7	159.3	-70	178.3	178.3	171.4	0	105.9	G113 R117	G113-K115 PolarHBondContact O-N 2.73Å; K115-R117 PolarHBondContact O-N 2.71Å
116	P	54.6	Low	64.6	Low	119 Å²	119	105.5 Å²	105.5	77%	0.773	58%	0.577	S	S	*	*			trans	-54	117.7	174.3	22.3	-31.2	0	0	0	106.4	S118	P116-S118 PolarHBondContact O-N 3.23Å
117	R	46.6	Very low	62.6	Low	219 Å²	219	109 Å²	109	83%	0.826	60%	0.6	S	S	*	*			trans	-65.2	93.6	169.6	-97.8	-170.2	-96.9	165.4	-5	105.2	K115 N119	K115-R117 PolarHBondContact O-N 2.71Å; R117-N119 PolarHBondContact O-N 2.94Å
118	S	42	Very low	60.7	Low	115 Å²	115	117.3 Å²	117.3	80%	0.804	64%	0.644	S	S	*	*			trans	-69.6	75.5	169.2	54.9	0	0	0	0	108	P116	P116-S118 PolarHBondContact O-N 3.23Å
119	N	40.1	Very low	59	Low	129 Å²	129	120.7 Å²	120.7	69%	0.69	67%	0.671	S	S	*	*			trans	-129.8	51.2	155.2	-156.6	79.8	0	0	0	107.5	R117 Q121	R117-N119 PolarHBondContact O-N 2.94Å; N119-Q121 VanDerWaalsContact C-N 3.32Å; N119-Q121 PolarHBondContact O-N 3.02Å
120	V	44.9	Very low	57.9	Low	112 Å²	112	126.3 Å²	126.3	68%	0.679	70%	0.701	S	S	*	*			trans	-68.3	101.2	151.4	177.3	0	0	0	0	104	L122	V120-L122 HydrophobicContact CG1-CD1 4.24Å; V120-L122 PolarHBondContact O-N 3.09Å
121	Q	43.8	Very low	56.4	Low	171 Å²	171	134.9 Å²	134.9	80%	0.799	74%	0.741	S	S	*	*			trans	-56	102.9	151.1	-85.9	166.7	-100.4	0	0	104.5	N119 G123	N119-Q121 VanDerWaalsContact C-N 3.32Å; N119-Q121 PolarHBondContact O-N 3.02Å; Q121-G123 PolarHBondContact O-N 2.81Å
122	L	45.4	Very low	54.8	Low	149 Å²	149	137.5 Å²	137.5	78%	0.78	79%	0.785	S	S	*	*			trans	-61.7	83.4	164.5	-104.6	98.5	0	0	0	106.2	V120	V120-L122 HydrophobicContact CG1-CD1 4.24Å; V120-L122 PolarHBondContact O-N 3.09Å
123	G	38.4	Very low	53.1	Low	62 Å²	62	139.2 Å²	139.2	64%	0.639	80%	0.796	S	S	*	*			trans	-82.6	134.5	156.3	0	0	0	0	0	107.5	Q121	Q121-G123 PolarHBondContact O-N 2.81Å
124	E	47.9	Very low	52	Low	181 Å²	181	143.8 Å²	143.8	85%	0.846	81%	0.811	S	S	*	*			trans	78.6	94	169.5	-126.7	122.1	91.5	0	0	117.1
125	Q	53.6	Low	51.1	Low	181 Å²	181	147.9 Å²	147.9	85%	0.846	82%	0.824	S	S	*	*			trans	-102.5	111.3	146.5	-64.6	-159.6	90.4	0	0	107.9
126	P	51.9	Low	50.8	Low	108 Å²	108	145.8 Å²	145.8	70%	0.701	83%	0.825	S	S	*	*			trans	-83.6	119.1	163	30.2	-26.3	0	0	0	109.9
127	V	54.3	Low	50.5	Low	136 Å²	136	147.4 Å²	147.4	82%	0.824	83%	0.828	S	S	*	*			trans	8.4	116.2	153.5	-66.8	0	0	0	0	118.7
128	L	55.6	Low	50.8	Low	175 Å²	175	142.7 Å²	142.7	92%	0.916	83%	0.828	S	S	*	*			trans	-146.3	74.2	143.1	-158.5	69	0	0	0	109.7	L130	L128-L130 PolarHBondContact O-N 3.16Å
129	S	58.9	Low	51.4	Low	125 Å²	125	144.6 Å²	144.6	87%	0.874	83%	0.83	S	S	*	*			trans	-92.9	89.6	159.1	-159.8	0	0	0	0	107.2
130	L	70	Confident	52.3	Low	141 Å²	141	145.8 Å²	145.8	74%	0.738	84%	0.841	S	S	*	*			trans	1.5	119.5	153.3	-165.9	62.7	0	0	0	116.2	L128 A132	L128-L130 PolarHBondContact O-N 3.16Å; L130-A132 PolarHBondContact O-N 3.26Å
131	M	59.2	Low	52.9	Low	193 Å²	193	148.7 Å²	148.7	95%	0.951	85%	0.854	S	S	*	*			trans	-65.3	115.2	151.2	-78.8	-155.7	163	0	0	109.2
132	A	56.1	Low	53.8	Low	162 Å²	162	146.6 Å²	146.6	100%	1.339	86%	0.86	S	S	*	*			trans	-148.2	0	151.6	0	0	0	0	0	107.7	L130	L130-A132 PolarHBondContact O-N 3.26Å

Retrieved 132 of 132 residues in 74.6 ms (Link to these results)

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