A0A096NRL0_PAPAN Loading...

Serine peptidase inhibitor Kazal type 7

AlphaFold DB , UniProt , Accession A0A096NRL0, Species PAPAN (Papio anubis, Olive baboon), Gene SPINK7, Length 85 aa.

						>A0A096NRL0_PAPAN|A0A096NRL0|SPINK7
MKITGGLLLLCTVFYFCSSSEAASLSSKKVDCSIYKKYPVVAIPCPITYLPVCGSDYITYGNECHLCTESLKSNGRVQFLHDGSC
					

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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	42.9	Very low	52.5	Low	237 Å²	237	123.8 Å²	123.8	100%	1.167	69%	0.691	S	S	*	*				0	80.3	0	-60.9	168.2	88.1	0	0	109.4
2	K	48.3	Very low	53.2	Low	202 Å²	202	119.3 Å²	119.3	88%	0.878	67%	0.669	S	S	*	*			trans	-145.2	70.7	175.2	-69.9	173.9	78.7	174.1	0	108.1
3	I	45.5	Very low	53.7	Low	154 Å²	154	117.8 Å²	117.8	79%	0.79	66%	0.664	S	S	*	*			trans	-126.2	12	175.1	37.6	169.9	0	0	0	112.1
4	T	53.7	Low	54	Low	117 Å²	117	119.9 Å²	119.9	72%	0.718	66%	0.663	S	S	*	*	H	α-helix	trans	-81.6	-13.1	-177.8	35.2	0	0	0	0	114.2
5	G	51.6	Low	54.3	Low	54 Å²	54	125 Å²	125	56%	0.557	67%	0.67	S	S	*	*	H	α-helix	trans	-86.8	-31.3	-178	0	0	0	0	0	115.5
6	G	54.4	Low	54.4	Low	47 Å²	47	127.3 Å²	127.3	49%	0.485	67%	0.672	S	S	.	*	H	α-helix	trans	-81	-28.1	-177.5	0	0	0	0	0	113.9
7	L	54.6	Low	54.3	Low	119 Å²	119	124.7 Å²	124.7	62%	0.623	67%	0.666	S	S	*	*	H	α-helix	trans	-74.7	-32.4	-175.3	-169.5	62.4	0	0	0	112.7	C11	L7-C11 PolarHBondContact O-N 3.34Å; L7-C11 PolarHBondContact O-SG 2.78Å
8	L	56.1	Low	54.2	Low	129 Å²	129	122.6 Å²	122.6	68%	0.675	66%	0.663	S	S	*	*	H	α-helix	trans	-70.1	-34.5	178.3	-102.4	125.7	0	0	0	113	C11 T12	L8-C11 PolarHBondContact O-N 2.91Å; L8-T12 PolarHBondContact O-N 2.79Å
9	L	55.8	Low	54.3	Low	123 Å²	123	120.6 Å²	120.6	64%	0.644	66%	0.659	S	S	*	*	H	α-helix	trans	-68	-39.2	178.5	-86.4	158.1	0	0	0	112	C11 T12 V13	L9-C11 VanDerWaalsContact C-N 3.35Å; L9-C11 PolarHBondContact O-N 3.02Å; L9-T12 PolarHBondContact O-N 3.03Å; L9-T12 PolarHBondContact O-OG1 2.85Å; L9-V13 PolarHBondContact O-N 3.47Å
10	L	57.7	Low	54.5	Low	101 Å²	101	119 Å²	119	53%	0.529	66%	0.657	S	S	.	*	H	α-helix	trans	-62.7	-41.8	176.8	-70.7	168	0	0	0	111.6	T12 V13 F14	L10-T12 VanDerWaalsContact C-N 3.27Å; L10-T12 PolarHBondContact O-N 2.84Å; L10-V13 PolarHBondContact O-N 2.72Å; L10-F14 WeakPolarHBondContact O-CD2 3.49Å; L10-F14 PolarHBondContact O-N 3.1Å; L10-F14 VanDerWaalsContact O-N 3.15Å
11	C	56.7	Low	54.3	Low	79 Å²	79	121.3 Å²	121.3	53%	0.534	66%	0.663	S	S	.	*	H	α-helix	trans	-59.7	-34.8	178.6	-71.2	0	0	0	0	113.1	L7 L8 L9 Y15	L7-C11 PolarHBondContact O-N 3.34Å; L7-C11 PolarHBondContact O-SG 2.78Å; L8-C11 PolarHBondContact O-N 2.91Å; L9-C11 VanDerWaalsContact C-N 3.35Å; L9-C11 PolarHBondContact O-N 3.02Å; C11-Y15 WeakPolarHBondContact O-CB 3.32Å; C11-Y15 PolarHBondContact O-N 3.43Å
12	T	60.8	Low	55.1	Low	69 Å²	69	114.1 Å²	114.1	42%	0.423	64%	0.641	S	S	.	*	H	α-helix	trans	-70.6	-37.4	178.5	63.4	0	0	0	0	112.7	L8 L9 L10 Y15 F16	L8-T12 PolarHBondContact O-N 2.79Å; L9-T12 PolarHBondContact O-N 3.03Å; L9-T12 PolarHBondContact O-OG1 2.85Å; L10-T12 VanDerWaalsContact C-N 3.27Å; L10-T12 PolarHBondContact O-N 2.84Å; T12-Y15 PolarHBondContact O-N 2.03Å; T12-F16 WeakPolarHBondContact O-CD2 3.11Å; T12-F16 PolarHBondContact O-N 3.49Å
13	V	59.6	Low	55.5	Low	100 Å²	100	108.7 Å²	108.7	61%	0.606	63%	0.634	S	S	*	*	H	α-helix	trans	-66.9	-38.8	176.3	-178.8	0	0	0	0	110.8	L9 L10 C17	L9-V13 PolarHBondContact O-N 3.47Å; L10-V13 PolarHBondContact O-N 2.72Å; V13-C17 VanDerWaalsContact O-CB 3.26Å; V13-C17 WeakPolarHBondContact O-CB 3.37Å; V13-C17 PolarHBondContact O-N 2.95Å
14	F	59	Low	55.8	Low	148 Å²	148	107 Å²	107	65%	0.649	64%	0.636	S	S	*	*	H	α-helix	trans	-65.3	-40.7	171.5	-76.6	-71	0	0	0	112.3	L10 C17 S18	L10-F14 WeakPolarHBondContact O-CD2 3.49Å; L10-F14 PolarHBondContact O-N 3.1Å; L10-F14 VanDerWaalsContact O-N 3.15Å; F14-C17 PolarHBondContact O-N 3.15Å; F14-S18 PolarHBondContact O-N 2.93Å; F14-S18 VanDerWaalsContact O-N 3.1Å; F14-S18 PolarHBondContact O-OG 2.83Å; F14-S18 VanDerWaalsContact O-OG 3.1Å
15	Y	58.2	Low	55.9	Low	196 Å²	196	108.2 Å²	108.2	77%	0.769	64%	0.637	S	S	*	*	H	α-helix	trans	-66.2	-38.9	179.3	-153.8	-95.8	0	0	0	112.7	C11 T12	C11-Y15 WeakPolarHBondContact O-CB 3.32Å; C11-Y15 PolarHBondContact O-N 3.43Å; T12-Y15 PolarHBondContact O-N 2.03Å
16	F	55	Low	56	Low	161 Å²	161	111.1 Å²	111.1	71%	0.706	65%	0.649	S	S	*	*	H	α-helix	trans	-74.4	-25.6	174	-88.4	-85.3	0	0	0	113.3	T12 S19	T12-F16 WeakPolarHBondContact O-CD2 3.11Å; T12-F16 PolarHBondContact O-N 3.49Å; F16-S19 PolarHBondContact O-OG 2.89Å
17	C	53.8	Low	56.7	Low	84 Å²	84	111.7 Å²	111.7	57%	0.568	65%	0.645	S	S	*	*	H	α-helix	trans	-79.1	-24.7	176.5	-161.3	0	0	0	0	112.5	V13 F14 S19 S20	V13-C17 VanDerWaalsContact O-CB 3.26Å; V13-C17 WeakPolarHBondContact O-CB 3.37Å; V13-C17 PolarHBondContact O-N 2.95Å; F14-C17 PolarHBondContact O-N 3.15Å; C17-S19 VanDerWaalsContact C-N 3.29Å; C17-S19 PolarHBondContact O-N 2.92Å; C17-S20 PolarHBondContact O-N 3.5Å; C17-S20 PolarHBondContact O-OG 3.47Å
18	S	52.1	Low	57.9	Low	87 Å²	87	111.7 Å²	111.7	61%	0.608	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-19.6	174.9	-60.3	0	0	0	0	113.6	F14 S20	F14-S18 PolarHBondContact O-N 2.93Å; F14-S18 VanDerWaalsContact O-N 3.1Å; F14-S18 PolarHBondContact O-OG 2.83Å; F14-S18 VanDerWaalsContact O-OG 3.1Å; S18-S20 VanDerWaalsContact C-N 3.34Å
19	S	55.7	Low	59.4	Low	84 Å²	84	113 Å²	113	59%	0.587	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-3	177.6	65	0	0	0	0	113.9	F16 C17 E21	F16-S19 PolarHBondContact O-OG 2.89Å; C17-S19 VanDerWaalsContact C-N 3.29Å; C17-S19 PolarHBondContact O-N 2.92Å; S19-E21 PolarHBondContact O-N 3.1Å
20	S	59.2	Low	61.1	Low	89 Å²	89	108.5 Å²	108.5	62%	0.622	62%	0.618	S	S	*	*			trans	-74.8	65.4	152.1	59	0	0	0	0	108.8	C17 S18 A22	C17-S20 PolarHBondContact O-N 3.5Å; C17-S20 PolarHBondContact O-OG 3.47Å; S18-S20 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.27Å
21	E	50.5	Low	62.8	Low	167 Å²	167	108.4 Å²	108.4	78%	0.78	62%	0.618	S	S	*	*			trans	-60.3	91.2	150.1	-93.7	154.1	60.9	0	0	105.1	S19 A23	S19-E21 PolarHBondContact O-N 3.1Å; E21-A23 PolarHBondContact O-N 3.01Å
22	A	59	Low	64.6	Low	86 Å²	86	106 Å²	106	71%	0.711	60%	0.602	S	S	*	*			trans	-58.3	84.3	152	0	0	0	0	0	104.9	S20 S24	S20-A22 PolarHBondContact O-N 3.27Å; A22-S24 PolarHBondContact O-N 2.91Å
23	A	57	Low	66.3	Low	88 Å²	88	106.7 Å²	106.7	73%	0.727	61%	0.61	S	S	*	*			trans	-48.5	110.1	171.6	0	0	0	0	0	104.7	E21 L25	E21-A23 PolarHBondContact O-N 3.01Å; A23-L25 PolarHBondContact O-N 3.23Å
24	S	51.1	Low	67.9	Low	118 Å²	118	106.5 Å²	106.5	83%	0.825	60%	0.604	S	S	*	*			trans	-69.3	85.7	-179.7	-23.5	0	0	0	0	104.1	A22 S26	A22-S24 PolarHBondContact O-N 2.91Å; S24-S26 VanDerWaalsContact C-N 3.3Å; S24-S26 PolarHBondContact O-N 2.94Å
25	L	55.4	Low	69.6	Low	143 Å²	143	100.1 Å²	100.1	75%	0.749	58%	0.576	S	S	*	*			trans	-55.4	106.3	170.5	-175.3	80.1	0	0	0	103.4	A23 S27	A23-L25 PolarHBondContact O-N 3.23Å; L25-S27 PolarHBondContact O-N 3.28Å
26	S	54.9	Low	71.4	Confident	116 Å²	116	98.1 Å²	98.1	81%	0.811	57%	0.571	S	S	*	*			trans	-61.1	86.3	169.4	-175.8	0	0	0	0	105.2	S24 K28	S24-S26 VanDerWaalsContact C-N 3.3Å; S24-S26 PolarHBondContact O-N 2.94Å; S26-K28 PolarHBondContact O-N 3.15Å
27	S	67.9	Low	73.4	Confident	58 Å²	58	99 Å²	99	41%	0.406	58%	0.575	S	S	.	*			trans	-75.2	88.1	-174.6	-166.3	0	0	0	0	103.8	L25 K29	L25-S27 PolarHBondContact O-N 3.28Å; S27-K29 PolarHBondContact O-N 3.3Å; S27-K29 VanDerWaalsContact O-N 3.09Å
28	K	80.4	Confident	75.4	Confident	120 Å²	120	100 Å²	100	52%	0.522	57%	0.567	S	S	.	*			trans	-53	118.4	168.5	-167	-168.1	-175.5	-161.2	0	104.8	S26 F79 D82	S26-K28 PolarHBondContact O-N 3.15Å; K28-F79 HydrophobicContact CB-CD1 4.49Å; K28-F79 HydrophobicContact CB-CE1 3.94Å; K28-F79 HydrophobicContact CD-CE1 4.07Å; K28-F79 HydrophobicContact CD-CZ 4.12Å; K28-F79 HydrophobicContact CG-CE1 4.3Å; K28-F79 WeakPolarHBondContact O-CD1 3.38Å; K28-F79 WeakPolarHBondContact O-CE1 3.05Å; K28-D82 IonicContact NZ-OD1 2.64Å; K28-D82 PolarHBondContact NZ-OD1 3.49Å; K28-D82 IonicContact NZ-OD2 2.83Å; K28-D82 PolarHBondContact NZ-OD2 3.34Å
29	K	86.8	Confident	77.5	Confident	156 Å²	156	99.8 Å²	99.8	68%	0.678	56%	0.564	S	S	*	*			trans	-104.6	141.2	178.1	-70.5	-175.1	-178.9	-171.2	0	108.4	S27	S27-K29 PolarHBondContact O-N 3.3Å; S27-K29 VanDerWaalsContact O-N 3.09Å
30	V	92.9	Very high	79.4	Confident	29 Å²	29	98.5 Å²	98.5	18%	0.176	55%	0.553	C	S	.	*			trans	-76	136.1	166.6	169.1	0	0	0	0	108.6	C32 E63 L66 C67 F79	V30-C32 PolarHBondContact O-N 3.46Å; V30-E63 HydrophobicContact CG1-CB 3.52Å; V30-E63 HydrophobicContact CG2-CB 4.3Å; V30-L66 HydrophobicContact CG2-CD2 4.17Å; V30-C67 WeakPolarHBondContact CG1-SG 3.35Å; V30-F79 HydrophobicContact CB-CB 4.37Å; V30-F79 HydrophobicContact CG2-CB 3.9Å; V30-F79 HydrophobicContact CG2-CD2 3.29Å; V30-F79 HydrophobicContact CG2-CE2 3.89Å; V30-F79 HydrophobicContact CG2-CG 3.75Å
31	D	92.4	Very high	81.1	Confident	98 Å²	98	101.1 Å²	101.1	52%	0.524	56%	0.564	S	S	.	*			trans	-81	101.1	177	-176.7	12.2	0	0	0	111	S33	D31-S33 VanDerWaalsContact C-N 3.29Å; D31-S33 PolarHBondContact O-N 3.5Å; D31-S33 WeakPolarHBondContact OD1-CB 3.45Å; D31-S33 PolarHBondContact OD1-N 3.46Å; D31-S33 PolarHBondContact OD1-OG 3.46Å
32	C	95.8	Very high	83.3	Confident	30 Å²	30	96.1 Å²	96.1	20%	0.203	55%	0.552	C	S	.	*			trans	-85.4	5.8	176.6	-57.1	0	0	0	0	114.2	V30 I34 Y35 K36 C67	V30-C32 PolarHBondContact O-N 3.46Å; C32-I34 VanDerWaalsContact C-N 3.32Å; C32-I34 PolarHBondContact O-N 3.34Å; C32-Y35 PolarHBondContact O-N 3.22Å; C32-K36 WeakPolarHBondContact O-CB 3.24Å; C32-K36 PolarHBondContact O-N 3.5Å; C32-C67 WeakPolarHBondContact CA-SG 3.36Å; C32-C67 HydrophobicContact CB-CB 3.72Å; C32-C67 WeakPolarHBondContact CB-SG 3.5Å; C32-C67 VanDerWaalsContact SG-CA 3.51Å; C32-C67 WeakPolarHBondContact SG-CB 3.05Å; C32-C67 CovalentContact SG-SG 2.04Å; C32-C67 PolarHBondContact SG-SG 3.36Å
33	S	95.3	Very high	85.1	Confident	82 Å²	82	93 Å²	93	57%	0.573	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-39.7	-173.6	-57.5	0	0	0	0	112.6	D31	D31-S33 VanDerWaalsContact C-N 3.29Å; D31-S33 PolarHBondContact O-N 3.5Å; D31-S33 WeakPolarHBondContact OD1-CB 3.45Å; D31-S33 PolarHBondContact OD1-N 3.46Å; D31-S33 PolarHBondContact OD1-OG 3.46Å
34	I	94.6	Very high	87	Confident	97 Å²	97	92.1 Å²	92.1	50%	0.497	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.9	178.5	63.3	172.9	0	0	0	112	C32 K37 Y38	C32-I34 VanDerWaalsContact C-N 3.32Å; C32-I34 PolarHBondContact O-N 3.34Å; I34-K37 WeakPolarHBondContact O-CB 3.3Å; I34-K37 PolarHBondContact O-N 3.19Å; I34-Y38 WeakPolarHBondContact O-CD2 3.27Å; I34-Y38 WeakPolarHBondContact O-CE2 3.47Å
35	Y	94.8	Very high	89.2	Confident	13 Å²	13	88.3 Å²	88.3	5%	0.051	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-75.8	-31.6	-177.9	-54.5	-56.4	0	0	0	111.9	C32 K37 Y38 I43 E63 C64 C67	C32-Y35 PolarHBondContact O-N 3.22Å; Y35-K37 PolarHBondContact O-N 3.46Å; Y35-K37 VanDerWaalsContact O-N 3.15Å; Y35-Y38 PolarHBondContact O-N 3.42Å; Y35-Y38 VanDerWaalsContact O-N 3.13Å; Y35-I43 HydrophobicContact CD1-CG2 3.89Å; Y35-I43 HydrophobicContact CG-CG2 4.23Å; Y35-E63 PolarHBondContact OH-OE1 3.33Å; Y35-C64 HydrophobicContact CD1-CB 4.05Å; Y35-C64 WeakPolarHBondContact CD1-SG 3.42Å; Y35-C64 HydrophobicContact CE1-CB 3.46Å; Y35-C64 VanDerWaalsContact CE1-CB 3.46Å; Y35-C64 WeakPolarHBondContact CE1-SG 3.27Å; Y35-C64 HydrophobicContact CE2-CB 4.1Å; Y35-C64 VanDerWaalsContact CZ-CB 3.5Å; Y35-C67 HydrophobicContact CD2-CB 3.51Å; Y35-C67 VanDerWaalsContact CD2-SG 3.56Å; Y35-C67 HydrophobicContact CE2-CB 4.26Å; Y35-C67 HydrophobicContact CG-CB 4.16Å
36	K	95.3	Very high	91.2	Very high	154 Å²	154	84.3 Å²	84.3	67%	0.67	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-63.5	-17.1	176.4	-171	174.3	179.7	-179.5	0	113.8	C32 Y38 L71	C32-K36 WeakPolarHBondContact O-CB 3.24Å; C32-K36 PolarHBondContact O-N 3.5Å; K36-Y38 PolarHBondContact O-N 2.88Å; K36-L71 HydrophobicContact CB-CD1 4.29Å; K36-L71 HydrophobicContact CB-CD2 4.31Å; K36-L71 HydrophobicContact CD-CD2 4.38Å; K36-L71 HydrophobicContact CG-CD2 4.16Å
37	K	96.4	Very high	93.2	Very high	180 Å²	180	87.2 Å²	87.2	78%	0.783	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.1	175.2	-169.7	175.5	178.5	-178.8	0	112.7	I34 Y35	I34-K37 WeakPolarHBondContact O-CB 3.3Å; I34-K37 PolarHBondContact O-N 3.19Å; Y35-K37 PolarHBondContact O-N 3.46Å; Y35-K37 VanDerWaalsContact O-N 3.15Å
38	Y	96.3	Very high	94.6	Very high	104 Å²	104	88.3 Å²	88.3	41%	0.408	47%	0.474	S	S	.	.	S	Bend	trans	-101.9	154.1	-176.8	-56.7	-81.1	0	0	0	111.3	I34 Y35 K36 V40 P44	I34-Y38 WeakPolarHBondContact O-CD2 3.27Å; I34-Y38 WeakPolarHBondContact O-CE2 3.47Å; Y35-Y38 PolarHBondContact O-N 3.42Å; Y35-Y38 VanDerWaalsContact O-N 3.13Å; K36-Y38 PolarHBondContact O-N 2.88Å; Y38-V40 PolarHBondContact O-N 2.92Å; Y38-P44 HydrophobicContact CD1-CG 3.92Å; Y38-P44 HydrophobicContact CD2-CG 4.09Å; Y38-P44 HydrophobicContact CE1-CG 3.69Å; Y38-P44 HydrophobicContact CE2-CG 3.88Å; Y38-P44 VanDerWaalsContact CG-CD 3.43Å; Y38-P44 HydrophobicContact CG-CG 4.11Å
39	P	96.8	Very high	95.4	Very high	83 Å²	83	90 Å²	90	54%	0.539	48%	0.478	S	S	.	.			trans	-61.6	135.7	170.3	27.9	-34.6	0	0	0	109.6	V41 A42 I43	P39-V41 HydrophobicContact CB-CG2 4.19Å; P39-V41 PolarHBondContact O-N 2.64Å; P39-A42 HydrophobicContact CG-CB 4.28Å; P39-A42 CarbonylContact O-C 3.29Å; P39-A42 VanDerWaalsContact O-C 3.29Å; P39-A42 PolarHBondContact O-N 2.83Å; P39-I43 PolarHBondContact O-N 3.29Å
40	V	94.9	Very high	96	Very high	58 Å²	58	88 Å²	88	35%	0.352	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-54.8	-29.7	-175.7	178.7	0	0	0	0	112.8	Y38 A42 L71 K72	Y38-V40 PolarHBondContact O-N 2.92Å; V40-A42 VanDerWaalsContact C-N 3.27Å; V40-A42 PolarHBondContact O-N 2.87Å; V40-L71 HydrophobicContact CG1-CB 4.48Å; V40-L71 HydrophobicContact CG2-CB 4.02Å; V40-K72 HydrophobicContact CG1-CB 3.73Å
41	V	95.2	Very high	96.2	Very high	143 Å²	143	88.2 Å²	88.2	87%	0.867	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-73	-13.9	177.8	-61.7	0	0	0	0	114.2	P39	P39-V41 HydrophobicContact CB-CG2 4.19Å; P39-V41 PolarHBondContact O-N 2.64Å
42	A	96.1	Very high	96.5	Very high	62 Å²	62	84 Å²	84	51%	0.512	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-150.5	60.1	-175.4	0	0	0	0	0	111.9	P39 V40	P39-A42 HydrophobicContact CG-CB 4.28Å; P39-A42 CarbonylContact O-C 3.29Å; P39-A42 VanDerWaalsContact O-C 3.29Å; P39-A42 PolarHBondContact O-N 2.83Å; V40-A42 VanDerWaalsContact C-N 3.27Å; V40-A42 PolarHBondContact O-N 2.87Å
43	I	97.4	Very high	96.6	Very high	20 Å²	20	82.6 Å²	82.6	10%	0.103	45%	0.445	C	S	.	.			trans	-81.8	121.9	171.1	-57.9	-177.2	0	0	0	108.7	Y35 P39 C45 T68 L71	Y35-I43 HydrophobicContact CD1-CG2 3.89Å; Y35-I43 HydrophobicContact CG-CG2 4.23Å; P39-I43 PolarHBondContact O-N 3.29Å; I43-C45 PolarHBondContact O-N 3.18Å; I43-T68 HydrophobicContact CD1-CG2 4.21Å; I43-L71 HydrophobicContact CD1-CD1 3.76Å
44	P	96.9	Very high	96.7	Very high	70 Å²	70	78.7 Å²	78.7	46%	0.455	42%	0.418	S	S	.	.			trans	-73.6	115.9	174.9	29.5	-31.5	0	0	0	109.9	Y38	Y38-P44 HydrophobicContact CD1-CG 3.92Å; Y38-P44 HydrophobicContact CD2-CG 4.09Å; Y38-P44 HydrophobicContact CE1-CG 3.69Å; Y38-P44 HydrophobicContact CE2-CG 3.88Å; Y38-P44 VanDerWaalsContact CG-CD 3.43Å; Y38-P44 HydrophobicContact CG-CG 4.11Å
45	C	96.9	Very high	96.8	Very high	39 Å²	39	76.3 Å²	76.3	26%	0.264	41%	0.409	S	S	.	.			trans	-103	144.1	175.7	-65.8	0	0	0	0	112	I43 C64	I43-C45 PolarHBondContact O-N 3.18Å; C45-C64 WeakPolarHBondContact CA-SG 3.5Å; C45-C64 HydrophobicContact CB-CB 3.63Å; C45-C64 WeakPolarHBondContact CB-SG 3.39Å; C45-C64 WeakPolarHBondContact SG-CB 3.02Å; C45-C64 CovalentContact SG-SG 2.03Å; C45-C64 PolarHBondContact SG-SG 3.2Å
46	P	96.4	Very high	97	Very high	58 Å²	58	78.2 Å²	78.2	38%	0.377	42%	0.421	S	S	.	.			trans	-64.4	151.2	169.9	29.6	-34.4	0	0	0	110.3	T48 N62	P46-T48 PolarHBondContact O-N 2.99Å; P46-N62 PolarHBondContact O-ND2 3.37Å; P46-N62 VanDerWaalsContact O-ND2 3.13Å
47	I	96.7	Very high	97.1	Very high	177 Å²	177	79.5 Å²	79.5	91%	0.908	42%	0.422	S	S	*	.	S	Bend	trans	-77.5	-4.4	175.5	61.6	171.2	0	0	0	113	Y49	I47-Y49 PolarHBondContact O-N 3.16Å
48	T	97.9	Very high	97.2	Very high	81 Å²	81	75.3 Å²	75.3	50%	0.497	41%	0.407	S	S	.	.			trans	-65.8	127.8	179.1	-46.4	0	0	0	0	110.3	P46 L50 N62	P46-T48 PolarHBondContact O-N 2.99Å; T48-L50 HydrophobicContact CG2-CD1 4.12Å; T48-L50 HydrophobicContact CG2-CG 3.96Å; T48-N62 PolarHBondContact O-ND2 2.66Å
49	Y	97.9	Very high	97.3	Very high	156 Å²	156	72.7 Å²	72.7	61%	0.612	40%	0.402	S	S	*	.			trans	-91.1	109.3	174.9	-173.5	-103.9	0	0	0	110.1	I47 P51 G61	I47-Y49 PolarHBondContact O-N 3.16Å; Y49-P51 HydrophobicContact CD1-CG 4.49Å; Y49-P51 HydrophobicContact CE1-CB 4.23Å; Y49-P51 HydrophobicContact CE1-CG 3.84Å; Y49-G61 WeakPolarHBondContact CD2-O 3.41Å
50	L	97.9	Very high	97.4	Very high	115 Å²	115	69.9 Å²	69.9	60%	0.602	38%	0.381	S	S	*	.			trans	-137.2	79.9	178.2	-72.5	175.4	0	0	0	107.5	T48 G61 N62	T48-L50 HydrophobicContact CG2-CD1 4.12Å; T48-L50 HydrophobicContact CG2-CG 3.96Å; L50-G61 CarbonylContact C-O 3.55Å; L50-G61 VanDerWaalsContact C-O 3.31Å; L50-G61 PolarHBondContact N-O 2.84Å; L50-N62 HydrophobicContact CB-CB 4.5Å; L50-N62 VanDerWaalsContact O-CA 3.29Å; L50-N62 WeakPolarHBondContact O-CA 3.33Å
51	P	98.4	Very high	97.5	Very high	32 Å²	32	68.1 Å²	68.1	21%	0.208	37%	0.374	C	S	.	.			trans	-60.3	144	-165.7	23.7	-33	0	0	0	112.1	Y49 T59 Y60 G83	Y49-P51 HydrophobicContact CD1-CG 4.49Å; Y49-P51 HydrophobicContact CE1-CB 4.23Å; Y49-P51 HydrophobicContact CE1-CG 3.84Å; P51-T59 HydrophobicContact CB-CG2 3.95Å; P51-Y60 VanDerWaalsContact CA-O 3.3Å; P51-Y60 WeakPolarHBondContact CA-O 3.21Å; P51-G83 VanDerWaalsContact O-CA 3.24Å; P51-G83 WeakPolarHBondContact O-CA 3.36Å; P51-G83 PolarHBondContact O-N 2.96Å
52	V	98.2	Very high	97.7	Very high	10 Å²	10	61.6 Å²	61.6	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.7	174.9	-62.6	0	0	0	0	110	Y60 L66 F79 G83	V52-Y60 PolarHBondContact N-O 3.12Å; V52-Y60 PolarHBondContact O-N 2.71Å; V52-L66 HydrophobicContact CG2-CB 3.81Å; V52-L66 HydrophobicContact CG2-CD2 3.8Å; V52-L66 HydrophobicContact CG2-CG 4.36Å; V52-F79 HydrophobicContact CB-CD2 4.14Å; V52-F79 HydrophobicContact CB-CE2 4Å; V52-F79 HydrophobicContact CG1-CD2 4.38Å; V52-F79 HydrophobicContact CG1-CE2 3.92Å; V52-G83 CarbonylContact C-O 3.13Å; V52-G83 VanDerWaalsContact CA-O 3.27Å; V52-G83 WeakPolarHBondContact CA-O 3.05Å
53	C	98.3	Very high	97.7	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.1	176.7	-174.6	0	0	0	0	110.2	L80 H81 G83 C85	C53-L80 HydrophobicContact CB-CB 4.4Å; C53-L80 WeakPolarHBondContact O-CB 3.07Å; C53-L80 PolarHBondContact O-N 2.84Å; C53-H81 VanDerWaalsContact CB-CE1 3.47Å; C53-H81 WeakPolarHBondContact CB-CE1 3.34Å; C53-H81 PolarHBondContact N-O 3.2Å; C53-H81 PolarHBondContact O-N 3.37Å; C53-G83 PolarHBondContact N-O 3.44Å; C53-C85 WeakPolarHBondContact CA-SG 3.45Å; C53-C85 HydrophobicContact CB-CB 4.11Å; C53-C85 WeakPolarHBondContact CB-SG 3.43Å; C53-C85 WeakPolarHBondContact SG-CB 3.5Å; C53-C85 CovalentContact SG-SG 2.03Å; C53-C85 PolarHBondContact SG-SG 3.15Å
54	G	97.8	Very high	97.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	161.6	172.4	0	0	0	0	0	112.7	D56 Y57 I58 Q78	G54-D56 WeakPolarHBondContact CA-OD1 3.5Å; G54-D56 PolarHBondContact O-N 2.81Å; G54-D56 VanDerWaalsContact O-N 3.15Å; G54-Y57 WeakPolarHBondContact O-CA 3.29Å; G54-Y57 PolarHBondContact O-N 2.74Å; G54-I58 PolarHBondContact N-O 2.77Å; G54-Q78 CarbonylContact C-O 3.31Å; G54-Q78 VanDerWaalsContact CA-O 3.29Å; G54-Q78 WeakPolarHBondContact CA-O 3.26Å
55	S	97.1	Very high	97.8	Very high	46 Å²	46	62.4 Å²	62.4	32%	0.322	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.6	175	64.3	0	0	0	0	113.5	Y57 Q78	S55-Y57 VanDerWaalsContact C-N 3.32Å; S55-Q78 PolarHBondContact N-O 2.76Å; S55-Q78 PolarHBondContact OG-N 2.67Å
56	D	97.6	Very high	97.9	Very high	54 Å²	54	60.8 Å²	60.8	29%	0.289	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.8	169.7	60.6	-9.8	0	0	0	112.9	G54 I58 Y60 V77	G54-D56 WeakPolarHBondContact CA-OD1 3.5Å; G54-D56 PolarHBondContact O-N 2.81Å; G54-D56 VanDerWaalsContact O-N 3.15Å; D56-I58 HydrophobicContact CB-CG1 4.46Å; D56-I58 PolarHBondContact O-N 2.9Å; D56-I58 PolarHBondContact OD1-N 3.36Å; D56-Y60 PolarHBondContact OD2-OH 3.09Å; D56-V77 HydrophobicContact CB-CG1 4.4Å; D56-V77 HydrophobicContact CB-CG2 4.22Å; D56-V77 WeakPolarHBondContact OD2-CG2 3.39Å
57	Y	97.8	Very high	97.9	Very high	181 Å²	181	58 Å²	58	71%	0.71	29%	0.292	S	S	*	.	S	Bend	trans	61.1	26.1	-176.5	-54.3	-84.6	0	0	0	113.8	G54 S55 L80 C85	G54-Y57 WeakPolarHBondContact O-CA 3.29Å; G54-Y57 PolarHBondContact O-N 2.74Å; S55-Y57 VanDerWaalsContact C-N 3.32Å; Y57-L80 HydrophobicContact CD1-CD2 4.15Å; Y57-L80 HydrophobicContact CE1-CD2 3.99Å; Y57-C85 PolarHBondContact O-SG 2.85Å
58	I	98.5	Very high	98	Very high	91 Å²	91	51 Å²	51	47%	0.467	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-100.2	135.6	172.6	-59.9	-177	0	0	0	109.4	G54 D56 Y60 C85	G54-I58 PolarHBondContact N-O 2.77Å; D56-I58 HydrophobicContact CB-CG1 4.46Å; D56-I58 PolarHBondContact O-N 2.9Å; D56-I58 PolarHBondContact OD1-N 3.36Å; I58-Y60 HydrophobicContact CB-CE2 3.89Å; I58-Y60 HydrophobicContact CG2-CE2 4.05Å; I58-Y60 WeakPolarHBondContact O-CD2 3.47Å; I58-Y60 WeakPolarHBondContact O-CE2 2.92Å; I58-C85 PolarHBondContact O-SG 3.02Å
59	T	98.6	Very high	98	Very high	49 Å²	49	49.9 Å²	49.9	30%	0.301	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124	172.1	-63	0	0	0	0	110.2	P51 S84 C85	P51-T59 HydrophobicContact CB-CG2 3.95Å; T59-S84 WeakPolarHBondContact OG1-CA 3.3Å; T59-S84 WeakPolarHBondContact OG1-CB 3.35Å; T59-C85 PolarHBondContact OG1-N 3.13Å
60	Y	98.4	Very high	98	Very high	25 Å²	25	43.4 Å²	43.4	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.9	174	-64.5	-94.5	0	0	0	109.5	P51 V52 D56 I58 N62 H65 L66 E69 V77	P51-Y60 VanDerWaalsContact CA-O 3.3Å; P51-Y60 WeakPolarHBondContact CA-O 3.21Å; V52-Y60 PolarHBondContact N-O 3.12Å; V52-Y60 PolarHBondContact O-N 2.71Å; D56-Y60 PolarHBondContact OD2-OH 3.09Å; I58-Y60 HydrophobicContact CB-CE2 3.89Å; I58-Y60 HydrophobicContact CG2-CE2 4.05Å; I58-Y60 WeakPolarHBondContact O-CD2 3.47Å; I58-Y60 WeakPolarHBondContact O-CE2 2.92Å; Y60-N62 PolarHBondContact O-N 3.04Å; Y60-N62 VanDerWaalsContact O-N 3.16Å; Y60-H65 HydrophobicContact CD1-CB 4.28Å; Y60-L66 HydrophobicContact CD1-CB 4.4Å; Y60-L66 HydrophobicContact CD2-CB 4.21Å; Y60-L66 HydrophobicContact CD2-CD1 3.52Å; Y60-L66 HydrophobicContact CD2-CG 4.45Å; Y60-L66 HydrophobicContact CE2-CD1 3.62Å; Y60-L66 HydrophobicContact CG-CB 3.93Å; Y60-L66 HydrophobicContact CG-CD1 4.08Å; Y60-E69 HydrophobicContact CE1-CB 3.63Å; Y60-E69 HydrophobicContact CE1-CG 4.12Å; Y60-E69 WeakPolarHBondContact OH-CG 3.41Å; Y60-V77 HydrophobicContact CE2-CG1 4.07Å
61	G	98.3	Very high	97.9	Very high	20 Å²	20	39.9 Å²	39.9	21%	0.206	21%	0.206	C	C	.	.	S	Bend	trans	-63.4	-23.9	-173.8	0	0	0	0	0	114.7	Y49 L50	Y49-G61 WeakPolarHBondContact CD2-O 3.41Å; L50-G61 CarbonylContact C-O 3.55Å; L50-G61 VanDerWaalsContact C-O 3.31Å; L50-G61 PolarHBondContact N-O 2.84Å
62	N	97.7	Very high	97.9	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	22%	0.222	C	C	.	.	S	Bend	trans	-162.3	175.7	168.5	57.1	45.9	0	0	0	110.9	P46 T48 L50 Y60 C64 H65 L66	P46-N62 PolarHBondContact O-ND2 3.37Å; P46-N62 VanDerWaalsContact O-ND2 3.13Å; T48-N62 PolarHBondContact O-ND2 2.66Å; L50-N62 HydrophobicContact CB-CB 4.5Å; L50-N62 VanDerWaalsContact O-CA 3.29Å; L50-N62 WeakPolarHBondContact O-CA 3.33Å; Y60-N62 PolarHBondContact O-N 3.04Å; Y60-N62 VanDerWaalsContact O-N 3.16Å; N62-C64 VanDerWaalsContact C-N 3.26Å; N62-C64 PolarHBondContact O-N 3.13Å; N62-C64 WeakPolarHBondContact OD1-CA 3.29Å; N62-C64 VanDerWaalsContact OD1-CB 3.27Å; N62-C64 WeakPolarHBondContact OD1-CB 3.15Å; N62-C64 PolarHBondContact OD1-N 3.35Å; N62-H65 VanDerWaalsContact CG-CD2 3.49Å; N62-H65 PolarHBondContact O-N 2.03Å; N62-H65 PolarHBondContact OD1-CD2 2.65Å; N62-H65 PolarHBondContact OD1-N 3.09Å; N62-H65 VanDerWaalsContact OD1-N 3.09Å; N62-L66 PolarHBondContact O-N 2.84Å
63	E	97.3	Very high	97.8	Very high	82 Å²	82	45.3 Å²	45.3	38%	0.383	23%	0.229	S	C	.	.	H	α-helix	trans	-55	-34.3	175.4	47.6	166	-129.9	0	0	114.4	V30 Y35 L66 C67	V30-E63 HydrophobicContact CG1-CB 3.52Å; V30-E63 HydrophobicContact CG2-CB 4.3Å; Y35-E63 PolarHBondContact OH-OE1 3.33Å; E63-L66 PolarHBondContact O-N 3.33Å; E63-C67 WeakPolarHBondContact O-CB 3.5Å; E63-C67 PolarHBondContact O-N 2.87Å; E63-C67 PolarHBondContact O-SG 3.39Å; E63-C67 VanDerWaalsContact O-SG 3.35Å
64	C	98.1	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-42.5	178.2	-178.3	0	0	0	0	111.5	Y35 C45 N62 C67 T68	Y35-C64 HydrophobicContact CD1-CB 4.05Å; Y35-C64 WeakPolarHBondContact CD1-SG 3.42Å; Y35-C64 HydrophobicContact CE1-CB 3.46Å; Y35-C64 VanDerWaalsContact CE1-CB 3.46Å; Y35-C64 WeakPolarHBondContact CE1-SG 3.27Å; Y35-C64 HydrophobicContact CE2-CB 4.1Å; Y35-C64 VanDerWaalsContact CZ-CB 3.5Å; C45-C64 WeakPolarHBondContact CA-SG 3.5Å; C45-C64 HydrophobicContact CB-CB 3.63Å; C45-C64 WeakPolarHBondContact CB-SG 3.39Å; C45-C64 WeakPolarHBondContact SG-CB 3.02Å; C45-C64 CovalentContact SG-SG 2.03Å; C45-C64 PolarHBondContact SG-SG 3.2Å; N62-C64 VanDerWaalsContact C-N 3.26Å; N62-C64 PolarHBondContact O-N 3.13Å; N62-C64 WeakPolarHBondContact OD1-CA 3.29Å; N62-C64 VanDerWaalsContact OD1-CB 3.27Å; N62-C64 WeakPolarHBondContact OD1-CB 3.15Å; N62-C64 PolarHBondContact OD1-N 3.35Å; C64-C67 PolarHBondContact O-N 2.83Å; C64-T68 WeakPolarHBondContact O-CB 3.48Å; C64-T68 PolarHBondContact O-N 3.39Å; C64-T68 PolarHBondContact O-OG1 3.17Å
65	H	98.1	Very high	97.5	Very high	88 Å²	88	54.1 Å²	54.1	41%	0.407	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.8	-68.9	-62.3	0	0	0	111.9	Y60 N62 T68 E69	Y60-H65 HydrophobicContact CD1-CB 4.28Å; N62-H65 VanDerWaalsContact CG-CD2 3.49Å; N62-H65 PolarHBondContact O-N 2.03Å; N62-H65 PolarHBondContact OD1-CD2 2.65Å; N62-H65 PolarHBondContact OD1-N 3.09Å; N62-H65 VanDerWaalsContact OD1-N 3.09Å; H65-T68 PolarHBondContact O-N 2.86Å; H65-E69 PolarHBondContact O-N 2.79Å; H65-E69 VanDerWaalsContact O-N 3.17Å
66	L	98.3	Very high	97.5	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-46	173.6	177.2	68.8	0	0	0	111.6	V30 V52 Y60 N62 E63 T68 E69 S70 V77 F79	V30-L66 HydrophobicContact CG2-CD2 4.17Å; V52-L66 HydrophobicContact CG2-CB 3.81Å; V52-L66 HydrophobicContact CG2-CD2 3.8Å; V52-L66 HydrophobicContact CG2-CG 4.36Å; Y60-L66 HydrophobicContact CD1-CB 4.4Å; Y60-L66 HydrophobicContact CD2-CB 4.21Å; Y60-L66 HydrophobicContact CD2-CD1 3.52Å; Y60-L66 HydrophobicContact CD2-CG 4.45Å; Y60-L66 HydrophobicContact CE2-CD1 3.62Å; Y60-L66 HydrophobicContact CG-CB 3.93Å; Y60-L66 HydrophobicContact CG-CD1 4.08Å; N62-L66 PolarHBondContact O-N 2.84Å; E63-L66 PolarHBondContact O-N 3.33Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 3.41Å; L66-E69 PolarHBondContact O-N 2.84Å; L66-S70 VanDerWaalsContact O-CB 3.3Å; L66-S70 WeakPolarHBondContact O-CB 3.12Å; L66-S70 PolarHBondContact O-N 3.29Å; L66-V77 HydrophobicContact CD1-CG1 3.78Å; L66-F79 HydrophobicContact CD2-CB 3.74Å; L66-F79 HydrophobicContact CD2-CD2 3.87Å; L66-F79 HydrophobicContact CD2-CG 4.29Å
67	C	97.9	Very high	97.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-35.6	177.5	-77.3	0	0	0	0	112.3	V30 C32 Y35 E63 C64 S70 L71	V30-C67 WeakPolarHBondContact CG1-SG 3.35Å; C32-C67 WeakPolarHBondContact CA-SG 3.36Å; C32-C67 HydrophobicContact CB-CB 3.72Å; C32-C67 WeakPolarHBondContact CB-SG 3.5Å; C32-C67 VanDerWaalsContact SG-CA 3.51Å; C32-C67 WeakPolarHBondContact SG-CB 3.05Å; C32-C67 CovalentContact SG-SG 2.04Å; C32-C67 PolarHBondContact SG-SG 3.36Å; Y35-C67 HydrophobicContact CD2-CB 3.51Å; Y35-C67 VanDerWaalsContact CD2-SG 3.56Å; Y35-C67 HydrophobicContact CE2-CB 4.26Å; Y35-C67 HydrophobicContact CG-CB 4.16Å; E63-C67 WeakPolarHBondContact O-CB 3.5Å; E63-C67 PolarHBondContact O-N 2.87Å; E63-C67 PolarHBondContact O-SG 3.39Å; E63-C67 VanDerWaalsContact O-SG 3.35Å; C64-C67 PolarHBondContact O-N 2.83Å; C67-S70 PolarHBondContact O-N 2.7Å; C67-L71 WeakPolarHBondContact O-CB 3.02Å; C67-L71 WeakPolarHBondContact O-CG 3.21Å; C67-L71 PolarHBondContact O-N 3.31Å
68	T	98.1	Very high	97.4	Very high	31 Å²	31	56.1 Å²	56.1	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-48.4	175.6	-57.6	0	0	0	0	110.9	I43 C64 H65 L66 L71 K72	I43-T68 HydrophobicContact CD1-CG2 4.21Å; C64-T68 WeakPolarHBondContact O-CB 3.48Å; C64-T68 PolarHBondContact O-N 3.39Å; C64-T68 PolarHBondContact O-OG1 3.17Å; H65-T68 PolarHBondContact O-N 2.86Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 3.41Å; T68-L71 PolarHBondContact O-N 3.27Å; T68-K72 VanDerWaalsContact O-CB 3.3Å; T68-K72 WeakPolarHBondContact O-CB 3.39Å; T68-K72 PolarHBondContact O-N 2.88Å
69	E	98.1	Very high	97.3	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-71.5	-35.2	178.9	-164.2	59.7	-150.4	0	0	112.1	Y60 H65 L66 K72 S73 V77	Y60-E69 HydrophobicContact CE1-CB 3.63Å; Y60-E69 HydrophobicContact CE1-CG 4.12Å; Y60-E69 WeakPolarHBondContact OH-CG 3.41Å; H65-E69 PolarHBondContact O-N 2.79Å; H65-E69 VanDerWaalsContact O-N 3.17Å; L66-E69 PolarHBondContact O-N 2.84Å; E69-K72 VanDerWaalsContact CD-NZ 3.3Å; E69-K72 PolarHBondContact O-N 3.3Å; E69-K72 IonicContact OE1-NZ 2.87Å; E69-K72 PolarHBondContact OE1-NZ 3.4Å; E69-K72 IonicContact OE2-NZ 2.88Å; E69-K72 PolarHBondContact OE2-NZ 3.26Å; E69-S73 WeakPolarHBondContact O-CB 3.3Å; E69-S73 PolarHBondContact O-N 2.04Å; E69-S73 PolarHBondContact O-OG 2.93Å; E69-V77 HydrophobicContact CG-CG2 4.28Å
70	S	97.3	Very high	97.2	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-48.3	172.6	-168.3	0	0	0	0	111.3	L66 C67 S73 N74 G75 V77	L66-S70 VanDerWaalsContact O-CB 3.3Å; L66-S70 WeakPolarHBondContact O-CB 3.12Å; L66-S70 PolarHBondContact O-N 3.29Å; C67-S70 PolarHBondContact O-N 2.7Å; S70-S73 CarbonylContact O-C 3.42Å; S70-S73 PolarHBondContact O-N 2.9Å; S70-S73 PolarHBondContact O-OG 3.43Å; S70-N74 PolarHBondContact O-N 2.58Å; S70-G75 PolarHBondContact O-N 3.47Å; S70-V77 WeakPolarHBondContact CB-O 3.46Å; S70-V77 PolarHBondContact OG-O 3.46Å
71	L	96.8	Very high	97.2	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-42.5	177	-69.7	169.7	0	0	0	112	K36 V40 I43 C67 T68 S73 N74	K36-L71 HydrophobicContact CB-CD1 4.29Å; K36-L71 HydrophobicContact CB-CD2 4.31Å; K36-L71 HydrophobicContact CD-CD2 4.38Å; K36-L71 HydrophobicContact CG-CD2 4.16Å; V40-L71 HydrophobicContact CG1-CB 4.48Å; V40-L71 HydrophobicContact CG2-CB 4.02Å; I43-L71 HydrophobicContact CD1-CD1 3.76Å; C67-L71 WeakPolarHBondContact O-CB 3.02Å; C67-L71 WeakPolarHBondContact O-CG 3.21Å; C67-L71 PolarHBondContact O-N 3.31Å; T68-L71 PolarHBondContact O-N 3.27Å; L71-S73 VanDerWaalsContact C-N 3.29Å; L71-S73 PolarHBondContact O-N 2.85Å; L71-N74 PolarHBondContact O-N 3.44Å
72	K	97.1	Very high	97.1	Very high	126 Å²	126	59.8 Å²	59.8	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-36.1	176.7	178.2	168.7	149.2	-112.9	0	112.8	V40 T68 E69	V40-K72 HydrophobicContact CG1-CB 3.73Å; T68-K72 VanDerWaalsContact O-CB 3.3Å; T68-K72 WeakPolarHBondContact O-CB 3.39Å; T68-K72 PolarHBondContact O-N 2.88Å; E69-K72 VanDerWaalsContact CD-NZ 3.3Å; E69-K72 PolarHBondContact O-N 3.3Å; E69-K72 IonicContact OE1-NZ 2.87Å; E69-K72 PolarHBondContact OE1-NZ 3.4Å; E69-K72 IonicContact OE2-NZ 2.88Å; E69-K72 PolarHBondContact OE2-NZ 3.26Å
73	S	96.7	Very high	97.1	Very high	30 Å²	30	60.8 Å²	60.8	21%	0.21	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	9.3	-179.5	68.7	0	0	0	0	113.9	E69 S70 L71 G75 R76 V77	E69-S73 WeakPolarHBondContact O-CB 3.3Å; E69-S73 PolarHBondContact O-N 2.04Å; E69-S73 PolarHBondContact O-OG 2.93Å; S70-S73 CarbonylContact O-C 3.42Å; S70-S73 PolarHBondContact O-N 2.9Å; S70-S73 PolarHBondContact O-OG 3.43Å; L71-S73 VanDerWaalsContact C-N 3.29Å; L71-S73 PolarHBondContact O-N 2.85Å; S73-G75 VanDerWaalsContact C-N 3.3Å; S73-G75 PolarHBondContact O-N 3.41Å; S73-R76 WeakPolarHBondContact O-CB 3.27Å; S73-R76 PolarHBondContact O-N 3.07Å; S73-V77 PolarHBondContact OG-N 3.28Å
74	N	95.4	Very high	97.1	Very high	157 Å²	157	59.9 Å²	59.9	84%	0.84	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	42.5	-176.3	-62.9	-60.5	0	0	0	113.7	S70 L71	S70-N74 PolarHBondContact O-N 2.58Å; L71-N74 PolarHBondContact O-N 3.44Å
75	G	94.6	Very high	97	Very high	30 Å²	30	64.1 Å²	64.1	31%	0.309	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	9.1	176.6	0	0	0	0	0	114.6	S70 S73 V77 Q78	S70-G75 PolarHBondContact O-N 3.47Å; S73-G75 VanDerWaalsContact C-N 3.3Å; S73-G75 PolarHBondContact O-N 3.41Å; G75-V77 PolarHBondContact O-N 3.36Å; G75-Q78 WeakPolarHBondContact O-CG 3.46Å
76	R	96.9	Very high	97	Very high	217 Å²	217	63 Å²	63	82%	0.819	34%	0.335	S	S	*	.	S	Bend	trans	-61.2	-37	174.5	-171.1	-176.4	-175.8	121.1	1.3	111.5	S73	S73-R76 WeakPolarHBondContact O-CB 3.27Å; S73-R76 PolarHBondContact O-N 3.07Å
77	V	97.3	Very high	96.9	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.055	35%	0.351	C	S	.	.	S	Bend	trans	-97.4	123.9	171.2	-171.6	0	0	0	0	108.8	D56 Y60 L66 E69 S70 S73 G75	D56-V77 HydrophobicContact CB-CG1 4.4Å; D56-V77 HydrophobicContact CB-CG2 4.22Å; D56-V77 WeakPolarHBondContact OD2-CG2 3.39Å; Y60-V77 HydrophobicContact CE2-CG1 4.07Å; L66-V77 HydrophobicContact CD1-CG1 3.78Å; E69-V77 HydrophobicContact CG-CG2 4.28Å; S70-V77 WeakPolarHBondContact CB-O 3.46Å; S70-V77 PolarHBondContact OG-O 3.46Å; S73-V77 PolarHBondContact OG-N 3.28Å; G75-V77 PolarHBondContact O-N 3.36Å
78	Q	96.3	Very high	96.9	Very high	96 Å²	96	69.7 Å²	69.7	45%	0.449	37%	0.371	S	S	.	.			trans	-120.6	166.4	175.6	-67.6	177.8	70.4	0	0	109.3	G54 S55 G75	G54-Q78 CarbonylContact C-O 3.31Å; G54-Q78 VanDerWaalsContact CA-O 3.29Å; G54-Q78 WeakPolarHBondContact CA-O 3.26Å; S55-Q78 PolarHBondContact N-O 2.76Å; S55-Q78 PolarHBondContact OG-N 2.67Å; G75-Q78 WeakPolarHBondContact O-CG 3.46Å
79	F	97.1	Very high	96.8	Very high	19 Å²	19	72 Å²	72	8%	0.083	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.8	170.2	177.1	-89.6	0	0	0	110.7	K28 V30 V52 L66 H81 D82	K28-F79 HydrophobicContact CB-CD1 4.49Å; K28-F79 HydrophobicContact CB-CE1 3.94Å; K28-F79 HydrophobicContact CD-CE1 4.07Å; K28-F79 HydrophobicContact CD-CZ 4.12Å; K28-F79 HydrophobicContact CG-CE1 4.3Å; K28-F79 WeakPolarHBondContact O-CD1 3.38Å; K28-F79 WeakPolarHBondContact O-CE1 3.05Å; V30-F79 HydrophobicContact CB-CB 4.37Å; V30-F79 HydrophobicContact CG2-CB 3.9Å; V30-F79 HydrophobicContact CG2-CD2 3.29Å; V30-F79 HydrophobicContact CG2-CE2 3.89Å; V30-F79 HydrophobicContact CG2-CG 3.75Å; V52-F79 HydrophobicContact CB-CD2 4.14Å; V52-F79 HydrophobicContact CB-CE2 4Å; V52-F79 HydrophobicContact CG1-CD2 4.38Å; V52-F79 HydrophobicContact CG1-CE2 3.92Å; L66-F79 HydrophobicContact CD2-CB 3.74Å; L66-F79 HydrophobicContact CD2-CD2 3.87Å; L66-F79 HydrophobicContact CD2-CG 4.29Å; F79-H81 VanDerWaalsContact CE1-CA 3.46Å; F79-H81 VanDerWaalsContact CE2-C 3.46Å; F79-H81 WeakPolarHBondContact CE2-O 3.19Å; F79-H81 VanDerWaalsContact CZ-CA 3.42Å; F79-D82 VanDerWaalsContact CZ-N 3.29Å
80	L	96.5	Very high	96.7	Very high	72 Å²	72	73 Å²	73	38%	0.377	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-60.4	172.6	-173.1	65.1	0	0	0	111.1	C53 Y57	C53-L80 HydrophobicContact CB-CB 4.4Å; C53-L80 WeakPolarHBondContact O-CB 3.07Å; C53-L80 PolarHBondContact O-N 2.84Å; Y57-L80 HydrophobicContact CD1-CD2 4.15Å; Y57-L80 HydrophobicContact CE1-CD2 3.99Å
81	H	96.6	Very high	96.7	Very high	81 Å²	81	76.5 Å²	76.5	38%	0.375	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	166.9	176.4	64.1	79.5	0	0	0	112	C53 F79 S84	C53-H81 VanDerWaalsContact CB-CE1 3.47Å; C53-H81 WeakPolarHBondContact CB-CE1 3.34Å; C53-H81 PolarHBondContact N-O 3.2Å; C53-H81 PolarHBondContact O-N 3.37Å; F79-H81 VanDerWaalsContact CE1-CA 3.46Å; F79-H81 VanDerWaalsContact CE2-C 3.46Å; F79-H81 WeakPolarHBondContact CE2-O 3.19Å; F79-H81 VanDerWaalsContact CZ-CA 3.42Å; H81-S84 PolarHBondContact CE1-O 3.35Å
82	D	97.2	Very high	96.7	Very high	91 Å²	91	79.1 Å²	79.1	49%	0.487	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	152.4	173.6	-51.4	-74.4	0	0	0	110.4	K28 F79	K28-D82 IonicContact NZ-OD1 2.64Å; K28-D82 PolarHBondContact NZ-OD1 3.49Å; K28-D82 IonicContact NZ-OD2 2.83Å; K28-D82 PolarHBondContact NZ-OD2 3.34Å; F79-D82 VanDerWaalsContact CZ-N 3.29Å
83	G	97.4	Very high	96.6	Very high	27 Å²	27	75.5 Å²	75.5	28%	0.278	41%	0.409	S	S	.	.	S	Bend	trans	86.6	178.4	-176.4	0	0	0	0	0	113.3	P51 V52 C53	P51-G83 VanDerWaalsContact O-CA 3.24Å; P51-G83 WeakPolarHBondContact O-CA 3.36Å; P51-G83 PolarHBondContact O-N 2.96Å; V52-G83 CarbonylContact C-O 3.13Å; V52-G83 VanDerWaalsContact CA-O 3.27Å; V52-G83 WeakPolarHBondContact CA-O 3.05Å; C53-G83 PolarHBondContact N-O 3.44Å
84	S	98.1	Very high	96.6	Very high	62 Å²	62	79.3 Å²	79.3	43%	0.434	43%	0.426	S	S	.	.			trans	-67.8	145.7	173.5	-52.2	0	0	0	0	111.1	T59 H81	T59-S84 WeakPolarHBondContact OG1-CA 3.3Å; T59-S84 WeakPolarHBondContact OG1-CB 3.35Å; H81-S84 PolarHBondContact CE1-O 3.35Å
85	C	95.9	Very high	96.7	Very high	90 Å²	90	72.2 Å²	72.2	61%	0.608	39%	0.388	S	S	*	.			trans	-64.1	0	151.3	-35.7	0	0	0	0	108.5	C53 Y57 I58 T59	C53-C85 WeakPolarHBondContact CA-SG 3.45Å; C53-C85 HydrophobicContact CB-CB 4.11Å; C53-C85 WeakPolarHBondContact CB-SG 3.43Å; C53-C85 WeakPolarHBondContact SG-CB 3.5Å; C53-C85 CovalentContact SG-SG 2.03Å; C53-C85 PolarHBondContact SG-SG 3.15Å; Y57-C85 PolarHBondContact O-SG 2.85Å; I58-C85 PolarHBondContact O-SG 3.02Å; T59-C85 PolarHBondContact OG1-N 3.13Å

Retrieved 85 of 85 residues in 118.8 ms (Link to these results)

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