A0A087WUE3_HUMAN Loading...

MDM4 regulator of p53

AlphaFold DB , UniProt , Accession A0A087WUE3, Species HUMAN (Homo sapiens, Human), Gene MDM4, Length 116 aa.

						>A0A087WUE3_HUMAN|A0A087WUE3|MDM4
MTSFSTSAQCSTSDSACRISPGQINQVRPKLPLLKILHAAGAQGEMFTVKEVMHYLGQYIMVKQLYDQQEQHMVYCGGDLLGELLGRQSFSVKDPSPLYDMLRKNLVTLATATTGD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38	Very low	45	Very low	229 Å²	229	137.6 Å²	137.6	100%	1.128	82%	0.823	S	S	*	*				0	97	0	-82.7	164.7	148.9	0	0	106.5
2	T	39.5	Very low	45	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	82%	0.817	S	S	*	*				67.8	125.2	104.5	56.1	0	0	0	0	110.8
3	S	40.5	Very low	45.6	Very low	115 Å²	115	133.7 Å²	133.7	80%	0.804	81%	0.809	S	S	*	*			cis	-175.5	158.5	21.2	22.9	0	0	0	0	109.6
4	F	46.5	Very low	45.7	Very low	201 Å²	201	134.3 Å²	134.3	88%	0.882	81%	0.805	S	S	*	*			trans	-67.6	158.9	168.3	-64.4	-93.2	0	0	0	113.4
5	S	45.9	Very low	46.3	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	79%	0.791	S	S	*	*			trans	159.6	118.2	137.3	-70.4	0	0	0	0	109.7
6	T	47	Very low	46.4	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	77%	0.771	S	S	*	*				91.4	118.4	61.5	-60.2	0	0	0	0	114.1
7	S	48.4	Very low	46.7	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	77%	0.77	S	S	*	*			trans	57.6	125.5	152	70.6	0	0	0	0	121.9
8	A	44.7	Very low	46.9	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	77%	0.774	S	S	*	*				-160.9	125.1	103.4	0	0	0	0	0	110.1
9	Q	52.4	Low	46.9	Very low	178 Å²	178	130.7 Å²	130.7	83%	0.832	77%	0.767	S	S	*	*			trans	-67.6	135.1	160.4	-64.5	-176.6	-0.9	0	0	108
10	C	40.3	Very low	47	Very low	113 Å²	113	127.7 Å²	127.7	76%	0.764	75%	0.753	S	S	*	*			trans	-115.5	88.6	154.2	-70.8	0	0	0	0	107	T12	C10-T12 PolarHBondContact O-N 3.12Å; C10-T12 VanDerWaalsContact O-N 3.17Å
11	S	51.5	Low	47.1	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	76%	0.756	S	S	*	*			trans	-58.9	106.4	149.7	-65	0	0	0	0	107
12	T	45.2	Very low	47.6	Very low	123 Å²	123	119 Å²	119	76%	0.755	73%	0.727	S	S	*	*			trans	-123.9	98.7	155.8	49.7	0	0	0	0	106.1	C10 D14	C10-T12 PolarHBondContact O-N 3.12Å; C10-T12 VanDerWaalsContact O-N 3.17Å; T12-D14 VanDerWaalsContact C-N 3.31Å; T12-D14 PolarHBondContact O-N 2.65Å
13	S	52.5	Low	48.2	Very low	101 Å²	101	118 Å²	118	71%	0.706	71%	0.713	S	S	*	*			trans	-43.2	98	158.9	175.8	0	0	0	0	108.6	S15	S13-S15 PolarHBondContact O-N 3.26Å; S13-S15 PolarHBondContact OG-N 3.39Å; S13-S15 PolarHBondContact OG-OG 3.07Å
14	D	47.4	Very low	49.1	Very low	142 Å²	142	117.5 Å²	117.5	76%	0.759	70%	0.701	S	S	*	*			trans	-79.5	72.2	152.5	-164.2	-105.9	0	0	0	105.8	T12 A16	T12-D14 VanDerWaalsContact C-N 3.31Å; T12-D14 PolarHBondContact O-N 2.65Å; D14-A16 PolarHBondContact O-N 3.45Å; D14-A16 WeakPolarHBondContact OD1-CB 3.49Å
15	S	55.2	Low	50.5	Low	86 Å²	86	113.5 Å²	113.5	60%	0.601	69%	0.688	S	S	*	*			trans	-69.8	60.4	150.9	57.9	0	0	0	0	106.9	S13 C17	S13-S15 PolarHBondContact O-N 3.26Å; S13-S15 PolarHBondContact OG-N 3.39Å; S13-S15 PolarHBondContact OG-OG 3.07Å; S15-C17 PolarHBondContact O-N 3.22Å
16	A	47.2	Very low	52.7	Low	56 Å²	56	112.1 Å²	112.1	46%	0.463	67%	0.669	S	S	.	*			trans	-56.7	102.4	142.5	0	0	0	0	0	103.1	D14 R18	D14-A16 PolarHBondContact O-N 3.45Å; D14-A16 WeakPolarHBondContact OD1-CB 3.49Å; A16-R18 PolarHBondContact O-N 3.08Å
17	C	52.5	Low	55	Low	111 Å²	111	106.3 Å²	106.3	75%	0.75	63%	0.633	S	S	*	*			trans	-49.5	93.4	164.7	-66	0	0	0	0	105.3	S15 I19	S15-C17 PolarHBondContact O-N 3.22Å; C17-I19 PolarHBondContact O-N 3.42Å
18	R	49.7	Very low	57.3	Low	226 Å²	226	107.2 Å²	107.2	85%	0.853	62%	0.62	S	S	*	*			trans	-66.8	83.1	166.8	-69.7	-163.6	-166.6	-159.7	5.9	102.9	A16 S20	A16-R18 PolarHBondContact O-N 3.08Å; R18-S20 PolarHBondContact O-N 3.15Å
19	I	47.2	Very low	59.8	Low	125 Å²	125	103 Å²	103	64%	0.641	59%	0.585	S	S	*	*			trans	-58	94.2	161.1	-60.4	178.4	0	0	0	102.5	C17 Q23	C17-I19 PolarHBondContact O-N 3.42Å; I19-Q23 HydrophobicContact CG2-CB 4.04Å
20	S	48.6	Very low	62	Low	69 Å²	69	99.4 Å²	99.4	48%	0.483	57%	0.567	S	S	.	*			trans	-57.7	138.9	179.4	-73.1	0	0	0	0	105.4	R18 G22 Q23	R18-S20 PolarHBondContact O-N 3.15Å; S20-G22 PolarHBondContact O-N 3.07Å; S20-Q23 PolarHBondContact O-N 2.98Å
21	P	49.4	Very low	64.8	Low	125 Å²	125	99.3 Å²	99.3	81%	0.812	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-2.8	178.5	19.7	-30.3	0	0	0	113.8	I24	P21-I24 WeakPolarHBondContact O-CD1 3.48Å; P21-I24 WeakPolarHBondContact O-CG1 3.34Å
22	G	47.8	Very low	67	Low	50 Å²	50	97.5 Å²	97.5	52%	0.515	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.9	169.1	0	0	0	0	0	116.8	S20 I24	S20-G22 PolarHBondContact O-N 3.07Å; G22-I24 PolarHBondContact O-N 3.37Å; G22-I24 VanDerWaalsContact O-N 3.15Å
23	Q	52	Low	69.5	Low	106 Å²	106	91.7 Å²	91.7	50%	0.495	51%	0.508	S	S	.	.			trans	-81.9	28.3	171.4	-73.6	-170.5	-57.2	0	0	112.6	I19 S20 N25	I19-Q23 HydrophobicContact CG2-CB 4.04Å; S20-Q23 PolarHBondContact O-N 2.98Å; Q23-N25 PolarHBondContact O-N 2.83Å
24	I	59.3	Low	71.7	Confident	105 Å²	105	87.6 Å²	87.6	54%	0.538	48%	0.478	S	S	.	.	S	Bend	trans	-71.2	125.5	165.9	-27.4	175.3	0	0	0	105.4	P21 G22 Q26 T48	P21-I24 WeakPolarHBondContact O-CD1 3.48Å; P21-I24 WeakPolarHBondContact O-CG1 3.34Å; G22-I24 PolarHBondContact O-N 3.37Å; G22-I24 VanDerWaalsContact O-N 3.15Å; I24-Q26 VanDerWaalsContact O-CG 3.32Å; I24-Q26 WeakPolarHBondContact O-CG 3.4Å; I24-Q26 PolarHBondContact O-N 3.14Å; I24-T48 HydrophobicContact CB-CG2 4.13Å; I24-T48 HydrophobicContact CD1-CG2 4.25Å; I24-T48 HydrophobicContact CG2-CG2 4.1Å
25	N	76.9	Confident	74.1	Confident	116 Å²	116	86.6 Å²	86.6	62%	0.62	47%	0.467	S	S	*	.			trans	-43.8	95.9	-179.7	-70.8	-37.6	0	0	0	111.6	Q23	Q23-N25 PolarHBondContact O-N 2.83Å
26	Q	91.1	Very high	76.2	Confident	87 Å²	87	82.5 Å²	82.5	41%	0.407	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.6	-179.4	-67.5	-166.9	-43.6	0	0	108.7	I24 M46 F47 L109	I24-Q26 VanDerWaalsContact O-CG 3.32Å; I24-Q26 WeakPolarHBondContact O-CG 3.4Å; I24-Q26 PolarHBondContact O-N 3.14Å; Q26-M46 HydrophobicContact CB-CE 3.44Å; Q26-M46 VanDerWaalsContact CB-CE 3.44Å; Q26-M46 HydrophobicContact CG-CE 4.2Å; Q26-F47 CarbonylContact C-O 3.58Å; Q26-F47 WeakPolarHBondContact CA-O 3.5Å; Q26-L109 PolarHBondContact O-N 2.99Å
27	V	95	Very high	78.6	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.03	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.2	177.3	-66.2	0	0	0	0	109.1	F47 V49 V52 L106 V107	V27-F47 HydrophobicContact CG2-CB 4.46Å; V27-F47 WeakPolarHBondContact CG2-O 3.31Å; V27-F47 PolarHBondContact N-O 2.78Å; V27-F47 PolarHBondContact O-N 2.93Å; V27-V49 HydrophobicContact CG1-CG2 4.03Å; V27-V49 HydrophobicContact CG2-CG2 4.37Å; V27-V52 HydrophobicContact CG2-CG2 4.1Å; V27-L106 HydrophobicContact CB-CB 4.26Å; V27-L106 HydrophobicContact CB-CD1 4.34Å; V27-L106 HydrophobicContact CB-CD2 4.19Å; V27-L106 HydrophobicContact CG1-CB 4.43Å; V27-L106 HydrophobicContact CG1-CD1 4.34Å; V27-L106 HydrophobicContact CG2-CD1 4.1Å; V27-L106 HydrophobicContact CG2-CD2 3.93Å; V27-L106 HydrophobicContact CG2-CG 4.49Å; V27-V107 WeakPolarHBondContact CA-O 3.15Å
28	R	97.1	Very high	80.8	Confident	127 Å²	127	78.4 Å²	78.4	48%	0.479	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.3	169.4	-168.2	173.9	-171.6	-157.4	2.9	108.9	E45 M46 V107 L109	R28-E45 IonicContact CZ-OE2 3.37Å; R28-E45 IonicContact NE-OE2 3.32Å; R28-E45 PolarHBondContact NE-OE2 2.83Å; R28-E45 IonicContact NH2-OE2 2.67Å; R28-E45 PolarHBondContact NH2-OE2 2.82Å; R28-M46 HydrophobicContact CB-SD 3.98Å; R28-M46 HydrophobicContact CG-SD 4.38Å; R28-V107 PolarHBondContact N-O 3.33Å; R28-V107 PolarHBondContact O-N 2.99Å; R28-L109 HydrophobicContact CB-CD1 4.36Å
29	P	98.1	Very high	83.1	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.039	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	141.3	173.6	-21.7	33.9	0	0	0	111.4	L33 L34 L37 E45 F47 V52 N105 L106	P29-L33 HydrophobicContact CB-CB 4.17Å; P29-L33 HydrophobicContact CB-CD2 4.04Å; P29-L33 HydrophobicContact CB-CG 4Å; P29-L34 HydrophobicContact CB-CB 4.3Å; P29-L37 HydrophobicContact CB-CD1 4.27Å; P29-L37 HydrophobicContact CG-CD1 3.71Å; P29-E45 WeakPolarHBondContact CD-O 3.24Å; P29-F47 HydrophobicContact CG-CD2 3.6Å; P29-F47 HydrophobicContact CG-CE2 4.09Å; P29-V52 HydrophobicContact CG-CG2 4.33Å; P29-N105 CarbonylContact C-O 3.58Å; P29-N105 WeakPolarHBondContact CA-O 3.36Å; P29-L106 HydrophobicContact CB-CD2 4.09Å; P29-L106 HydrophobicContact CG-CD2 3.92Å
30	K	98.3	Very high	85.6	Confident	102 Å²	102	65.6 Å²	65.6	44%	0.443	36%	0.36	S	S	.	.			trans	-63.7	154.5	166.5	-66.8	-178	-176.2	169.8	0	109.7	P32 L33 L34 K104 N105	K30-P32 VanDerWaalsContact C-CD 3.44Å; K30-P32 VanDerWaalsContact C-N 3.33Å; K30-P32 VanDerWaalsContact O-N 3.13Å; K30-L33 PolarHBondContact O-N 3.08Å; K30-L34 PolarHBondContact O-N 2.86Å; K30-K104 WeakPolarHBondContact CE-O 3.34Å; K30-K104 PolarHBondContact NZ-O 2.95Å; K30-N105 PolarHBondContact N-O 3.37Å
31	L	98	Very high	87.9	Confident	111 Å²	111	64.8 Å²	64.8	58%	0.581	36%	0.362	S	S	*	.	H	α-helix	trans	-49	-42.4	-174.3	-176.6	64.1	0	0	0	114.8	L34 K35	L31-L34 PolarHBondContact O-N 2.93Å; L31-K35 HydrophobicContact CD1-CG 4.44Å; L31-K35 WeakPolarHBondContact O-CG 3.16Å; L31-K35 PolarHBondContact O-N 3.33Å
32	P	97.9	Very high	90.2	Very high	69 Å²	69	59.1 Å²	59.1	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-45.9	177.5	-26.2	37.4	0	0	0	113.6	K30 L84	K30-P32 VanDerWaalsContact C-CD 3.44Å; K30-P32 VanDerWaalsContact C-N 3.33Å; K30-P32 VanDerWaalsContact O-N 3.13Å; P32-L84 HydrophobicContact CB-CD1 3.64Å
33	L	98.4	Very high	92.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.7	-41	176	178.6	56.5	0	0	0	110.9	P29 K30 K35 I36 L37 V52 L56 L84 M101 L102 N105 L106	P29-L33 HydrophobicContact CB-CB 4.17Å; P29-L33 HydrophobicContact CB-CD2 4.04Å; P29-L33 HydrophobicContact CB-CG 4Å; K30-L33 PolarHBondContact O-N 3.08Å; L33-K35 VanDerWaalsContact C-N 3.3Å; L33-K35 PolarHBondContact O-N 3.1Å; L33-I36 WeakPolarHBondContact O-CB 3.49Å; L33-I36 PolarHBondContact O-N 3.47Å; L33-L37 HydrophobicContact CD1-CD2 4.23Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CG-CD1 4.46Å; L33-L37 HydrophobicContact CG-CG 4.46Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 3.2Å; L33-L37 VanDerWaalsContact O-N 3.09Å; L33-V52 HydrophobicContact CD2-CG1 4.21Å; L33-L56 HydrophobicContact CD1-CD2 3.95Å; L33-L84 HydrophobicContact CB-CD2 3.94Å; L33-L84 HydrophobicContact CD1-CD2 3.84Å; L33-L84 HydrophobicContact CG-CD2 4.41Å; L33-M101 HydrophobicContact CD1-CE 4.35Å; L33-M101 HydrophobicContact CD1-SD 4.21Å; L33-M101 HydrophobicContact CD2-SD 4.32Å; L33-L102 HydrophobicContact CD2-CD2 4.1Å; L33-N105 HydrophobicContact CB-CB 4.01Å; L33-N105 HydrophobicContact CD2-CB 3.74Å; L33-L106 HydrophobicContact CD2-CD2 3.73Å; L33-L106 HydrophobicContact CD2-CG 4.33Å
34	L	98.5	Very high	94.7	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-41.6	179.4	-172.9	62.3	0	0	0	112.4	P29 K30 L31 I36 L37 H38 E45 F47	P29-L34 HydrophobicContact CB-CB 4.3Å; K30-L34 PolarHBondContact O-N 2.86Å; L31-L34 PolarHBondContact O-N 2.93Å; L34-I36 VanDerWaalsContact C-N 3.29Å; L34-I36 PolarHBondContact O-N 3.46Å; L34-L37 PolarHBondContact O-N 3.47Å; L34-H38 PolarHBondContact O-N 3.06Å; L34-E45 HydrophobicContact CD2-CG 4.42Å; L34-F47 HydrophobicContact CD1-CE2 3.65Å; L34-F47 HydrophobicContact CD1-CZ 4.24Å
35	K	98.4	Very high	96.5	Very high	120 Å²	120	61.8 Å²	61.8	52%	0.522	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-40.3	175.6	-74.3	176.1	177.8	-177.7	0	112.6	L31 L33 A39	L31-K35 HydrophobicContact CD1-CG 4.44Å; L31-K35 WeakPolarHBondContact O-CG 3.16Å; L31-K35 PolarHBondContact O-N 3.33Å; L33-K35 VanDerWaalsContact C-N 3.3Å; L33-K35 PolarHBondContact O-N 3.1Å; K35-A39 WeakPolarHBondContact O-CB 3.31Å; K35-A39 PolarHBondContact O-N 3.31Å
36	I	98.7	Very high	97.4	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-45.4	176.9	-67.9	168.6	0	0	0	110.1	L33 L34 H38 A39 A40 L56 Y59 L80 L81 L84	L33-I36 WeakPolarHBondContact O-CB 3.49Å; L33-I36 PolarHBondContact O-N 3.47Å; L34-I36 VanDerWaalsContact C-N 3.29Å; L34-I36 PolarHBondContact O-N 3.46Å; I36-H38 PolarHBondContact O-N 2.74Å; I36-A39 PolarHBondContact O-N 3.03Å; I36-A40 PolarHBondContact O-N 3.46Å; I36-A40 VanDerWaalsContact O-N 3.1Å; I36-L56 HydrophobicContact CG2-CD2 3.97Å; I36-Y59 HydrophobicContact CB-CD2 4.43Å; I36-Y59 HydrophobicContact CB-CE2 4.38Å; I36-Y59 HydrophobicContact CG1-CE2 4.48Å; I36-Y59 HydrophobicContact CG2-CD1 3.81Å; I36-Y59 HydrophobicContact CG2-CD2 3.64Å; I36-Y59 HydrophobicContact CG2-CE1 4.1Å; I36-Y59 HydrophobicContact CG2-CE2 3.93Å; I36-Y59 HydrophobicContact CG2-CG 3.56Å; I36-Y59 VanDerWaalsContact O-CD2 3.31Å; I36-Y59 WeakPolarHBondContact O-CD2 3.31Å; I36-L80 HydrophobicContact CD1-CB 4.07Å; I36-L80 HydrophobicContact CG1-CB 3.99Å; I36-L81 HydrophobicContact CD1-CB 4.38Å; I36-L84 HydrophobicContact CD1-CB 4.47Å; I36-L84 HydrophobicContact CD1-CD2 4Å
37	L	98.7	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-43	179	-53.6	-179.4	0	0	0	111.3	P29 L33 L34 A40 G41 A42 F47 V52 L56	P29-L37 HydrophobicContact CB-CD1 4.27Å; P29-L37 HydrophobicContact CG-CD1 3.71Å; L33-L37 HydrophobicContact CD1-CD2 4.23Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CG-CD1 4.46Å; L33-L37 HydrophobicContact CG-CG 4.46Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 3.2Å; L33-L37 VanDerWaalsContact O-N 3.09Å; L34-L37 PolarHBondContact O-N 3.47Å; L37-A40 CarbonylContact O-C 3.53Å; L37-A40 WeakPolarHBondContact O-CA 3.34Å; L37-A40 WeakPolarHBondContact O-CB 3.1Å; L37-A40 PolarHBondContact O-N 3.07Å; L37-G41 PolarHBondContact O-N 3.32Å; L37-A42 VanDerWaalsContact C-CB 3.49Å; L37-A42 HydrophobicContact CB-CB 3.8Å; L37-A42 WeakPolarHBondContact O-CB 3.32Å; L37-A42 PolarHBondContact O-N 2.99Å; L37-F47 HydrophobicContact CD1-CD2 4.14Å; L37-F47 HydrophobicContact CD1-CE2 4.1Å; L37-F47 HydrophobicContact CD1-CZ 4.44Å; L37-V52 HydrophobicContact CD1-CG1 4.35Å; L37-V52 HydrophobicContact CD1-CG2 4.11Å; L37-V52 HydrophobicContact CD2-CG1 4.21Å; L37-L56 HydrophobicContact CD2-CD2 4.4Å; L37-L56 HydrophobicContact CD2-CG 4.13Å
38	H	98.6	Very high	97.6	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.375	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.2	-70.7	175.3	0	0	0	112.4	L34 I36 A40 G41 A42 G44	L34-H38 PolarHBondContact O-N 3.06Å; I36-H38 PolarHBondContact O-N 2.74Å; H38-A40 PolarHBondContact O-N 2.87Å; H38-G41 PolarHBondContact O-N 3.47Å; H38-A42 PolarHBondContact CD2-O 3.26Å; H38-G44 PolarHBondContact NE2-O 2.94Å
39	A	98.1	Very high	97.5	Very high	66 Å²	66	53.4 Å²	53.4	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-21.6	173.2	0	0	0	0	0	112.8	K35 I36 Y59	K35-A39 WeakPolarHBondContact O-CB 3.31Å; K35-A39 PolarHBondContact O-N 3.31Å; I36-A39 PolarHBondContact O-N 3.03Å; A39-Y59 HydrophobicContact CB-CD2 4.04Å; A39-Y59 HydrophobicContact CB-CE2 3.78Å
40	A	98.1	Very high	97.3	Very high	16 Å²	16	61.4 Å²	61.4	13%	0.132	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.5	172.8	0	0	0	0	0	114.1	I36 L37 H38 Y55 Q58 Y59	I36-A40 PolarHBondContact O-N 3.46Å; I36-A40 VanDerWaalsContact O-N 3.1Å; L37-A40 CarbonylContact O-C 3.53Å; L37-A40 WeakPolarHBondContact O-CA 3.34Å; L37-A40 WeakPolarHBondContact O-CB 3.1Å; L37-A40 PolarHBondContact O-N 3.07Å; H38-A40 PolarHBondContact O-N 2.87Å; A40-Y55 HydrophobicContact CB-CD1 4.4Å; A40-Y55 VanDerWaalsContact CB-O 3.24Å; A40-Y55 WeakPolarHBondContact CB-O 3.43Å; A40-Q58 HydrophobicContact CB-CB 4.17Å; A40-Y59 HydrophobicContact CB-CD2 4.44Å
41	G	97.8	Very high	97.3	Very high	51 Å²	51	60.5 Å²	60.5	53%	0.526	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	4.8	180	0	0	0	0	0	115.4	L37 H38	L37-G41 PolarHBondContact O-N 3.32Å; H38-G41 PolarHBondContact O-N 3.47Å
42	A	98	Very high	97.2	Very high	6 Å²	6	55.2 Å²	55.2	5%	0.05	31%	0.308	C	S	.	.			trans	-66.7	149.6	174.4	0	0	0	0	0	111.6	L37 H38 F47 Y55	L37-A42 VanDerWaalsContact C-CB 3.49Å; L37-A42 HydrophobicContact CB-CB 3.8Å; L37-A42 WeakPolarHBondContact O-CB 3.32Å; L37-A42 PolarHBondContact O-N 2.99Å; H38-A42 PolarHBondContact CD2-O 3.26Å; A42-F47 HydrophobicContact CB-CE1 3.79Å; A42-F47 HydrophobicContact CB-CZ 3.96Å; A42-Y55 HydrophobicContact CB-CD1 3.79Å; A42-Y55 HydrophobicContact CB-CD2 3.63Å; A42-Y55 HydrophobicContact CB-CE1 3.79Å; A42-Y55 HydrophobicContact CB-CE2 3.64Å; A42-Y55 HydrophobicContact CB-CG 3.73Å
43	Q	97.1	Very high	97.2	Very high	171 Å²	171	55 Å²	55	80%	0.799	30%	0.302	S	S	*	.			trans	-125.8	155.1	175.2	-63.3	-177.1	-4.3	0	0	110.5
44	G	96.3	Very high	97.2	Very high	48 Å²	48	60 Å²	60	50%	0.495	33%	0.325	S	S	.	.	S	Bend	trans	78.7	-171.7	-177.4	0	0	0	0	0	113.4	H38	H38-G44 PolarHBondContact NE2-O 2.94Å
45	E	96.4	Very high	97.2	Very high	98 Å²	98	62 Å²	62	46%	0.458	33%	0.331	S	S	.	.	S	Bend	trans	-120.2	-7.9	-175.1	-57.3	-171.9	167	0	0	113.5	R28 P29 L34	R28-E45 IonicContact CZ-OE2 3.37Å; R28-E45 IonicContact NE-OE2 3.32Å; R28-E45 PolarHBondContact NE-OE2 2.83Å; R28-E45 IonicContact NH2-OE2 2.67Å; R28-E45 PolarHBondContact NH2-OE2 2.82Å; P29-E45 WeakPolarHBondContact CD-O 3.24Å; L34-E45 HydrophobicContact CD2-CG 4.42Å
46	M	95.8	Very high	97.2	Very high	68 Å²	68	56.3 Å²	56.3	34%	0.335	31%	0.307	S	S	.	.			trans	-119.8	130.4	-170.6	-73.4	-69.7	-73.2	0	0	109.1	Q26 R28 L109	Q26-M46 HydrophobicContact CB-CE 3.44Å; Q26-M46 VanDerWaalsContact CB-CE 3.44Å; Q26-M46 HydrophobicContact CG-CE 4.2Å; R28-M46 HydrophobicContact CB-SD 3.98Å; R28-M46 HydrophobicContact CG-SD 4.38Å; M46-L109 HydrophobicContact CE-CD1 3.16Å; M46-L109 HydrophobicContact SD-CD1 3.29Å; M46-L109 WeakPolarHBondContact SD-CD1 3.08Å
47	F	96	Very high	97.1	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.3	-175.6	-59	-84.4	0	0	0	110.2	Q26 V27 P29 L34 L37 A42 E51 V52 Y55	Q26-F47 CarbonylContact C-O 3.58Å; Q26-F47 WeakPolarHBondContact CA-O 3.5Å; V27-F47 HydrophobicContact CG2-CB 4.46Å; V27-F47 WeakPolarHBondContact CG2-O 3.31Å; V27-F47 PolarHBondContact N-O 2.78Å; V27-F47 PolarHBondContact O-N 2.93Å; P29-F47 HydrophobicContact CG-CD2 3.6Å; P29-F47 HydrophobicContact CG-CE2 4.09Å; L34-F47 HydrophobicContact CD1-CE2 3.65Å; L34-F47 HydrophobicContact CD1-CZ 4.24Å; L37-F47 HydrophobicContact CD1-CD2 4.14Å; L37-F47 HydrophobicContact CD1-CE2 4.1Å; L37-F47 HydrophobicContact CD1-CZ 4.44Å; A42-F47 HydrophobicContact CB-CE1 3.79Å; A42-F47 HydrophobicContact CB-CZ 3.96Å; F47-E51 HydrophobicContact CB-CB 4.24Å; F47-E51 HydrophobicContact CD1-CB 4.17Å; F47-V52 HydrophobicContact CB-CG2 3.71Å; F47-V52 HydrophobicContact CG-CG2 4.29Å; F47-Y55 HydrophobicContact CD1-CD2 4.42Å; F47-Y55 HydrophobicContact CD1-CE2 4.25Å; F47-Y55 HydrophobicContact CE1-CD2 4.35Å; F47-Y55 HydrophobicContact CE1-CE2 4.09Å
48	T	95.3	Very high	97.1	Very high	19 Å²	19	61.1 Å²	61.1	12%	0.117	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	157.8	157.1	61.9	0	0	0	0	109.5	I24 K50 E51 V52	I24-T48 HydrophobicContact CB-CG2 4.13Å; I24-T48 HydrophobicContact CD1-CG2 4.25Å; I24-T48 HydrophobicContact CG2-CG2 4.1Å; T48-K50 PolarHBondContact O-N 3.47Å; T48-E51 WeakPolarHBondContact CB-OE2 3.47Å; T48-E51 PolarHBondContact N-OE2 3.13Å; T48-E51 PolarHBondContact O-N 2.67Å; T48-E51 VanDerWaalsContact O-N 3.1Å; T48-E51 WeakPolarHBondContact OG1-CG 3.28Å; T48-E51 PolarHBondContact OG1-N 3.05Å; T48-E51 VanDerWaalsContact OG1-N 3.15Å; T48-E51 PolarHBondContact OG1-OE2 3.32Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.32Å
49	V	94.1	Very high	97.1	Very high	67 Å²	67	57.5 Å²	57.5	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-34.6	172.6	179	0	0	0	0	111.1	V27 V52 M53 L106	V27-V49 HydrophobicContact CG1-CG2 4.03Å; V27-V49 HydrophobicContact CG2-CG2 4.37Å; V49-V52 PolarHBondContact O-N 2.92Å; V49-M53 HydrophobicContact CG1-CG 4.46Å; V49-M53 VanDerWaalsContact O-CG 3.28Å; V49-M53 WeakPolarHBondContact O-CG 3.25Å; V49-M53 PolarHBondContact O-N 2.82Å; V49-L106 HydrophobicContact CG2-CD1 4.33Å
50	K	95.1	Very high	97.1	Very high	174 Å²	174	55.3 Å²	55.3	76%	0.757	30%	0.3	S	S	*	.	H	α-helix	trans	-61.6	-45.3	176	-175.5	-178.1	177.4	-175.5	0	112.3	T48 M53 H54	T48-K50 PolarHBondContact O-N 3.47Å; K50-M53 PolarHBondContact O-N 3.49Å; K50-H54 WeakPolarHBondContact O-CB 3.43Å; K50-H54 PolarHBondContact O-N 2.98Å
51	E	97.4	Very high	97.1	Very high	83 Å²	83	60 Å²	60	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-41.4	176.7	-73.8	161.2	141.1	0	0	111.5	F47 T48 M53 H54 Y55	F47-E51 HydrophobicContact CB-CB 4.24Å; F47-E51 HydrophobicContact CD1-CB 4.17Å; T48-E51 WeakPolarHBondContact CB-OE2 3.47Å; T48-E51 PolarHBondContact N-OE2 3.13Å; T48-E51 PolarHBondContact O-N 2.67Å; T48-E51 VanDerWaalsContact O-N 3.1Å; T48-E51 WeakPolarHBondContact OG1-CG 3.28Å; T48-E51 PolarHBondContact OG1-N 3.05Å; T48-E51 VanDerWaalsContact OG1-N 3.15Å; T48-E51 PolarHBondContact OG1-OE2 3.32Å; E51-M53 VanDerWaalsContact C-N 3.32Å; E51-M53 PolarHBondContact O-N 3.38Å; E51-H54 WeakPolarHBondContact O-CB 3.44Å; E51-H54 PolarHBondContact O-N 3.5Å; E51-Y55 HydrophobicContact CB-CD2 4.37Å; E51-Y55 HydrophobicContact CB-CE2 4.27Å; E51-Y55 WeakPolarHBondContact O-CD2 3.1Å; E51-Y55 PolarHBondContact O-N 3.36Å
52	V	97.4	Very high	97.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.5	-47	175.1	176.8	0	0	0	0	110.7	V27 P29 L33 L37 F47 T48 V49 H54 Y55 L56 L102 L106	V27-V52 HydrophobicContact CG2-CG2 4.1Å; P29-V52 HydrophobicContact CG-CG2 4.33Å; L33-V52 HydrophobicContact CD2-CG1 4.21Å; L37-V52 HydrophobicContact CD1-CG1 4.35Å; L37-V52 HydrophobicContact CD1-CG2 4.11Å; L37-V52 HydrophobicContact CD2-CG1 4.21Å; F47-V52 HydrophobicContact CB-CG2 3.71Å; F47-V52 HydrophobicContact CG-CG2 4.29Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.32Å; V49-V52 PolarHBondContact O-N 2.92Å; V52-H54 PolarHBondContact O-N 3.03Å; V52-Y55 PolarHBondContact O-N 3.24Å; V52-L56 HydrophobicContact CG1-CD1 4.04Å; V52-L56 WeakPolarHBondContact O-CB 3.43Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.39Å; V52-L56 PolarHBondContact O-N 2.92Å; V52-L102 HydrophobicContact CG1-CD2 3.52Å; V52-L106 HydrophobicContact CG1-CD2 4.46Å; V52-L106 HydrophobicContact CG2-CD2 4.15Å
53	M	96.9	Very high	97.1	Very high	65 Å²	65	67.1 Å²	67.1	32%	0.32	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-44	176.3	-69.9	-65.1	-65.4	0	0	112.2	V49 K50 E51 L56 G57 L98 L102	V49-M53 HydrophobicContact CG1-CG 4.46Å; V49-M53 VanDerWaalsContact O-CG 3.28Å; V49-M53 WeakPolarHBondContact O-CG 3.25Å; V49-M53 PolarHBondContact O-N 2.82Å; K50-M53 PolarHBondContact O-N 3.49Å; E51-M53 VanDerWaalsContact C-N 3.32Å; E51-M53 PolarHBondContact O-N 3.38Å; M53-L56 PolarHBondContact O-N 3.18Å; M53-G57 PolarHBondContact O-N 2.97Å; M53-G57 VanDerWaalsContact O-N 3.08Å; M53-L98 HydrophobicContact CE-CD2 3.75Å; M53-L98 HydrophobicContact SD-CD2 3.32Å; M53-L98 WeakPolarHBondContact SD-CD2 3.35Å; M53-L102 HydrophobicContact SD-CD1 3.59Å; M53-L102 VanDerWaalsContact SD-CD1 3.59Å
54	H	97.8	Very high	97.1	Very high	106 Å²	106	65.3 Å²	65.3	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-52.4	178.3	174.8	68.7	0	0	0	111.4	K50 E51 V52 L56 G57 Q58	K50-H54 WeakPolarHBondContact O-CB 3.43Å; K50-H54 PolarHBondContact O-N 2.98Å; E51-H54 WeakPolarHBondContact O-CB 3.44Å; E51-H54 PolarHBondContact O-N 3.5Å; V52-H54 PolarHBondContact O-N 3.03Å; H54-L56 VanDerWaalsContact C-N 3.33Å; H54-L56 PolarHBondContact O-N 3.31Å; H54-G57 PolarHBondContact O-N 3.04Å; H54-G57 VanDerWaalsContact O-N 3.12Å; H54-Q58 WeakPolarHBondContact O-CG 3.42Å; H54-Q58 PolarHBondContact O-N 3.49Å
55	Y	98.8	Very high	97.2	Very high	56 Å²	56	64.2 Å²	64.2	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-30.5	-179.6	-72.1	-62.2	0	0	0	113.2	A40 A42 F47 E51 V52 Q58 Y59	A40-Y55 HydrophobicContact CB-CD1 4.4Å; A40-Y55 VanDerWaalsContact CB-O 3.24Å; A40-Y55 WeakPolarHBondContact CB-O 3.43Å; A42-Y55 HydrophobicContact CB-CD1 3.79Å; A42-Y55 HydrophobicContact CB-CD2 3.63Å; A42-Y55 HydrophobicContact CB-CE1 3.79Å; A42-Y55 HydrophobicContact CB-CE2 3.64Å; A42-Y55 HydrophobicContact CB-CG 3.73Å; F47-Y55 HydrophobicContact CD1-CD2 4.42Å; F47-Y55 HydrophobicContact CD1-CE2 4.25Å; F47-Y55 HydrophobicContact CE1-CD2 4.35Å; F47-Y55 HydrophobicContact CE1-CE2 4.09Å; E51-Y55 HydrophobicContact CB-CD2 4.37Å; E51-Y55 HydrophobicContact CB-CE2 4.27Å; E51-Y55 WeakPolarHBondContact O-CD2 3.1Å; E51-Y55 PolarHBondContact O-N 3.36Å; V52-Y55 PolarHBondContact O-N 3.24Å; Y55-Q58 PolarHBondContact O-N 3.07Å; Y55-Y59 WeakPolarHBondContact O-CB 3.3Å; Y55-Y59 PolarHBondContact O-N 2.86Å
56	L	98.3	Very high	97.3	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-42.5	169.8	-76.9	170.4	0	0	0	111.8	L33 I36 L37 V52 M53 H54 Y59 I60 L81 L98 M101 L102	L33-L56 HydrophobicContact CD1-CD2 3.95Å; I36-L56 HydrophobicContact CG2-CD2 3.97Å; L37-L56 HydrophobicContact CD2-CD2 4.4Å; L37-L56 HydrophobicContact CD2-CG 4.13Å; V52-L56 HydrophobicContact CG1-CD1 4.04Å; V52-L56 WeakPolarHBondContact O-CB 3.43Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.39Å; V52-L56 PolarHBondContact O-N 2.92Å; M53-L56 PolarHBondContact O-N 3.18Å; H54-L56 VanDerWaalsContact C-N 3.33Å; H54-L56 PolarHBondContact O-N 3.31Å; L56-Y59 PolarHBondContact O-N 3.09Å; L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 2.98Å; L56-I60 VanDerWaalsContact O-N 3.14Å; L56-L81 HydrophobicContact CD2-CD1 4.05Å; L56-L98 HydrophobicContact CD1-CD2 4.29Å; L56-M101 HydrophobicContact CD1-CE 3.83Å; L56-M101 HydrophobicContact CD2-CE 4.28Å; L56-L102 HydrophobicContact CD1-CD2 3.92Å
57	G	97.7	Very high	97.5	Very high	33 Å²	33	61.3 Å²	61.3	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-44.7	173.1	0	0	0	0	0	112.3	M53 H54 Y59 I60 M61	M53-G57 PolarHBondContact O-N 2.97Å; M53-G57 VanDerWaalsContact O-N 3.08Å; H54-G57 PolarHBondContact O-N 3.04Å; H54-G57 VanDerWaalsContact O-N 3.12Å; G57-Y59 PolarHBondContact O-N 3.41Å; G57-I60 PolarHBondContact O-N 2.85Å; G57-M61 PolarHBondContact O-N 2.91Å
58	Q	98.6	Very high	97.5	Very high	69 Å²	69	66.6 Å²	66.6	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-42.3	176.4	-65.3	-58.4	98.7	0	0	112.2	A40 H54 Y55 I60 M61 V62	A40-Q58 HydrophobicContact CB-CB 4.17Å; H54-Q58 WeakPolarHBondContact O-CG 3.42Å; H54-Q58 PolarHBondContact O-N 3.49Å; Y55-Q58 PolarHBondContact O-N 3.07Å; Q58-I60 PolarHBondContact O-N 2.99Å; Q58-M61 PolarHBondContact O-N 3Å; Q58-V62 WeakPolarHBondContact O-CB 3.42Å; Q58-V62 WeakPolarHBondContact O-CG2 3.25Å; Q58-V62 PolarHBondContact O-N 3.08Å
59	Y	98.7	Very high	97.6	Very high	5 Å²	5	74.5 Å²	74.5	2%	0.02	36%	0.364	C	S	.	.	H	α-helix	trans	-58.2	-47.5	176.8	-174.8	-95.2	0	0	0	111.7	I36 A39 A40 Y55 L56 G57 M61 V62 K63 L65 D79 L81	I36-Y59 HydrophobicContact CB-CD2 4.43Å; I36-Y59 HydrophobicContact CB-CE2 4.38Å; I36-Y59 HydrophobicContact CG1-CE2 4.48Å; I36-Y59 HydrophobicContact CG2-CD1 3.81Å; I36-Y59 HydrophobicContact CG2-CD2 3.64Å; I36-Y59 HydrophobicContact CG2-CE1 4.1Å; I36-Y59 HydrophobicContact CG2-CE2 3.93Å; I36-Y59 HydrophobicContact CG2-CG 3.56Å; I36-Y59 VanDerWaalsContact O-CD2 3.31Å; I36-Y59 WeakPolarHBondContact O-CD2 3.31Å; A39-Y59 HydrophobicContact CB-CD2 4.04Å; A39-Y59 HydrophobicContact CB-CE2 3.78Å; A40-Y59 HydrophobicContact CB-CD2 4.44Å; Y55-Y59 WeakPolarHBondContact O-CB 3.3Å; Y55-Y59 PolarHBondContact O-N 2.86Å; L56-Y59 PolarHBondContact O-N 3.09Å; G57-Y59 PolarHBondContact O-N 3.41Å; Y59-M61 VanDerWaalsContact C-N 3.34Å; Y59-M61 PolarHBondContact O-N 3.41Å; Y59-V62 PolarHBondContact O-N 3.34Å; Y59-K63 HydrophobicContact CD1-CD 4.37Å; Y59-K63 HydrophobicContact CD2-CD 4.28Å; Y59-K63 HydrophobicContact CE1-CD 3.71Å; Y59-K63 HydrophobicContact CE2-CD 3.61Å; Y59-K63 HydrophobicContact CE2-CG 4.45Å; Y59-K63 WeakPolarHBondContact O-CB 3.39Å; Y59-K63 PolarHBondContact O-N 2.87Å; Y59-K63 VanDerWaalsContact O-N 3.07Å; Y59-K63 WeakPolarHBondContact OH-CD 3.36Å; Y59-K63 PolarHBondContact OH-NZ 2.74Å; Y59-K63 VanDerWaalsContact OH-NZ 3.12Å; Y59-L65 HydrophobicContact CD1-CD1 4.22Å; Y59-L65 HydrophobicContact CE1-CD1 3.91Å; Y59-D79 WeakPolarHBondContact CE1-OD1 3.43Å; Y59-D79 VanDerWaalsContact OH-CG 3.28Å; Y59-D79 PolarHBondContact OH-OD1 3.14Å; Y59-D79 PolarHBondContact OH-OD2 3.37Å; Y59-L81 HydrophobicContact CD1-CB 4.44Å; Y59-L81 HydrophobicContact CD1-CD2 4.28Å; Y59-L81 HydrophobicContact CE1-CB 3.94Å; Y59-L81 HydrophobicContact CE1-CD2 4.5Å
60	I	98.3	Very high	97.7	Very high	19 Å²	19	76.1 Å²	76.1	10%	0.097	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-43.8	177.7	-68.9	163.8	0	0	0	110.8	L56 G57 Q58 Q64 L65 V74 L81 F90	L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 2.98Å; L56-I60 VanDerWaalsContact O-N 3.14Å; G57-I60 PolarHBondContact O-N 2.85Å; Q58-I60 PolarHBondContact O-N 2.99Å; I60-Q64 WeakPolarHBondContact O-CA 3.22Å; I60-Q64 PolarHBondContact O-N 2.82Å; I60-Q64 VanDerWaalsContact O-N 3.08Å; I60-L65 HydrophobicContact CG2-CB 4.27Å; I60-L65 PolarHBondContact O-N 3.47Å; I60-V74 HydrophobicContact CD1-CG1 4.39Å; I60-V74 HydrophobicContact CD1-CG2 4.35Å; I60-V74 HydrophobicContact CG1-CG1 4.29Å; I60-V74 HydrophobicContact CG2-CG1 4.23Å; I60-V74 HydrophobicContact CG2-CG2 4.05Å; I60-L81 HydrophobicContact CD1-CD2 4.04Å; I60-L81 HydrophobicContact CG1-CD2 3.65Å; I60-F90 HydrophobicContact CD1-CZ 4.06Å
61	M	97.7	Very high	97.8	Very high	115 Å²	115	74 Å²	74	57%	0.567	36%	0.36	S	S	*	.	H	α-helix	trans	-64.1	-51.5	177.7	-88.1	-179.6	55.3	0	0	112.6	G57 Q58 Y59 K63 Q64	G57-M61 PolarHBondContact O-N 2.91Å; Q58-M61 PolarHBondContact O-N 3Å; Y59-M61 VanDerWaalsContact C-N 3.34Å; Y59-M61 PolarHBondContact O-N 3.41Å; M61-K63 VanDerWaalsContact C-N 3.31Å; M61-K63 PolarHBondContact O-N 2.72Å; M61-Q64 PolarHBondContact O-N 3.12Å; M61-Q64 VanDerWaalsContact O-N 3.07Å
62	V	97.3	Very high	97.7	Very high	103 Å²	103	72.3 Å²	72.3	62%	0.624	35%	0.352	S	S	*	.	H	α-helix	trans	-63.4	-39.3	-175.3	169.6	0	0	0	0	111.1	Q58 Y59 Q64	Q58-V62 WeakPolarHBondContact O-CB 3.42Å; Q58-V62 WeakPolarHBondContact O-CG2 3.25Å; Q58-V62 PolarHBondContact O-N 3.08Å; Y59-V62 PolarHBondContact O-N 3.34Å; V62-Q64 VanDerWaalsContact C-N 3.29Å
63	K	98.1	Very high	97.8	Very high	104 Å²	104	74 Å²	74	45%	0.452	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.3	177.7	-61.3	-164	88	178.4	0	113.8	Y59 M61 L65 D79	Y59-K63 HydrophobicContact CD1-CD 4.37Å; Y59-K63 HydrophobicContact CD2-CD 4.28Å; Y59-K63 HydrophobicContact CE1-CD 3.71Å; Y59-K63 HydrophobicContact CE2-CD 3.61Å; Y59-K63 HydrophobicContact CE2-CG 4.45Å; Y59-K63 WeakPolarHBondContact O-CB 3.39Å; Y59-K63 PolarHBondContact O-N 2.87Å; Y59-K63 VanDerWaalsContact O-N 3.07Å; Y59-K63 WeakPolarHBondContact OH-CD 3.36Å; Y59-K63 PolarHBondContact OH-NZ 2.74Å; Y59-K63 VanDerWaalsContact OH-NZ 3.12Å; M61-K63 VanDerWaalsContact C-N 3.31Å; M61-K63 PolarHBondContact O-N 2.72Å; K63-L65 HydrophobicContact CB-CD1 4.3Å; K63-L65 HydrophobicContact CB-CD2 4.11Å; K63-L65 HydrophobicContact CB-CG 3.81Å; K63-L65 PolarHBondContact O-N 2.76Å; K63-D79 WeakPolarHBondContact CE-OD2 3.42Å; K63-D79 IonicContact NZ-OD2 2.65Å; K63-D79 PolarHBondContact NZ-OD2 2.8Å
64	Q	98.1	Very high	97.8	Very high	132 Å²	132	71 Å²	71	62%	0.617	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.8	-178.5	-57	-176.1	7.9	0	0	112.8	I60 M61 V62 Y66	I60-Q64 WeakPolarHBondContact O-CA 3.22Å; I60-Q64 PolarHBondContact O-N 2.82Å; I60-Q64 VanDerWaalsContact O-N 3.08Å; M61-Q64 PolarHBondContact O-N 3.12Å; M61-Q64 VanDerWaalsContact O-N 3.07Å; V62-Q64 VanDerWaalsContact C-N 3.29Å; Q64-Y66 HydrophobicContact CB-CE1 4.41Å; Q64-Y66 PolarHBondContact O-N 2.94Å
65	L	98.4	Very high	97.9	Very high	25 Å²	25	71.4 Å²	71.4	13%	0.131	34%	0.344	C	S	.	.			trans	-76	0.3	-179.1	-60.6	-179.7	0	0	0	112.9	Y59 I60 K63 V74 Y75 C76 D79 L81	Y59-L65 HydrophobicContact CD1-CD1 4.22Å; Y59-L65 HydrophobicContact CE1-CD1 3.91Å; I60-L65 HydrophobicContact CG2-CB 4.27Å; I60-L65 PolarHBondContact O-N 3.47Å; K63-L65 HydrophobicContact CB-CD1 4.3Å; K63-L65 HydrophobicContact CB-CD2 4.11Å; K63-L65 HydrophobicContact CB-CG 3.81Å; K63-L65 PolarHBondContact O-N 2.76Å; L65-V74 HydrophobicContact CB-CG1 3.92Å; L65-V74 CarbonylContact O-C 3.43Å; L65-V74 VanDerWaalsContact O-CA 3.25Å; L65-V74 WeakPolarHBondContact O-CA 3.29Å; L65-Y75 PolarHBondContact O-N 3.35Å; L65-C76 HydrophobicContact CD1-CB 4.35Å; L65-D79 HydrophobicContact CD1-CB 4.48Å; L65-L81 HydrophobicContact CD1-CD2 4.15Å
66	Y	98.4	Very high	97.8	Very high	59 Å²	59	68.8 Å²	68.8	23%	0.231	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-94.6	152.7	-179.5	64	-87.3	0	0	0	111.4	Q64 Q68 Q71 M73	Q64-Y66 HydrophobicContact CB-CE1 4.41Å; Q64-Y66 PolarHBondContact O-N 2.94Å; Y66-Q68 VanDerWaalsContact CE2-NE2 3.32Å; Y66-Q68 PolarHBondContact OH-NE2 3.05Å; Y66-Q71 HydrophobicContact CD2-CB 4.49Å; Y66-Q71 HydrophobicContact CD2-CG 4.18Å; Y66-Q71 HydrophobicContact CE2-CG 4.47Å; Y66-M73 CarbonylContact C-O 3.57Å; Y66-M73 VanDerWaalsContact CA-O 3.28Å; Y66-M73 WeakPolarHBondContact CA-O 3.37Å
67	D	98.5	Very high	97.8	Very high	46 Å²	46	70.7 Å²	70.7	25%	0.246	35%	0.354	C	S	.	.			trans	-74	136.8	172.4	-166.1	-87.7	0	0	0	111.6	Q69 E70 Q71 M73 Y75	D67-Q69 VanDerWaalsContact C-N 3.35Å; D67-Q69 PolarHBondContact O-N 3.19Å; D67-Q69 WeakPolarHBondContact OD1-CA 3.05Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.15Å; D67-Q69 PolarHBondContact OD1-N 2.98Å; D67-E70 HydrophobicContact CB-CB 4.19Å; D67-E70 CarbonylContact O-C 3.58Å; D67-E70 PolarHBondContact OD1-N 3.4Å; D67-Q71 WeakPolarHBondContact O-CA 3.46Å; D67-Q71 WeakPolarHBondContact O-CG 3.12Å; D67-Q71 PolarHBondContact O-N 3.04Å; D67-Q71 VanDerWaalsContact O-N 3.13Å; D67-M73 HydrophobicContact CB-CB 4.19Å; D67-M73 PolarHBondContact N-O 3.1Å; D67-Y75 HydrophobicContact CB-CD2 4.38Å; D67-Y75 HydrophobicContact CB-CE2 3.83Å
68	Q	96.2	Very high	97.7	Very high	116 Å²	116	72.9 Å²	72.9	54%	0.542	38%	0.376	S	S	.	.	S	Bend	trans	-71.3	-29.4	-178.3	-66.5	-65.4	-31.9	0	0	113.3	Y66	Y66-Q68 VanDerWaalsContact CE2-NE2 3.32Å; Y66-Q68 PolarHBondContact OH-NE2 3.05Å
69	Q	97.4	Very high	97.7	Very high	185 Å²	185	70.2 Å²	70.2	86%	0.864	36%	0.364	S	S	*	.	S	Bend	trans	-91.8	-41.5	179.6	-59.4	-175	2.9	0	0	110.6	D67	D67-Q69 VanDerWaalsContact C-N 3.35Å; D67-Q69 PolarHBondContact O-N 3.19Å; D67-Q69 WeakPolarHBondContact OD1-CA 3.05Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.15Å; D67-Q69 PolarHBondContact OD1-N 2.98Å
70	E	97.4	Very high	97.7	Very high	102 Å²	102	73.7 Å²	73.7	48%	0.477	38%	0.383	S	S	.	.	S	Bend	trans	-111	64.6	178.3	-64.8	-164.8	155.9	0	0	110.8	D67 H72 M73	D67-E70 HydrophobicContact CB-CB 4.19Å; D67-E70 CarbonylContact O-C 3.58Å; D67-E70 PolarHBondContact OD1-N 3.4Å; E70-H72 PolarHBondContact O-N 3.39Å; E70-M73 HydrophobicContact CB-CB 4.35Å; E70-M73 HydrophobicContact CB-CG 4.18Å; E70-M73 WeakPolarHBondContact O-CB 3.35Å; E70-M73 PolarHBondContact O-N 3.46Å
71	Q	96.4	Very high	97.7	Very high	129 Å²	129	72.9 Å²	72.9	60%	0.603	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-13.7	-173.9	-64.7	-174	-28.6	0	0	116.7	Y66 D67 M73	Y66-Q71 HydrophobicContact CD2-CB 4.49Å; Y66-Q71 HydrophobicContact CD2-CG 4.18Å; Y66-Q71 HydrophobicContact CE2-CG 4.47Å; D67-Q71 WeakPolarHBondContact O-CA 3.46Å; D67-Q71 WeakPolarHBondContact O-CG 3.12Å; D67-Q71 PolarHBondContact O-N 3.04Å; D67-Q71 VanDerWaalsContact O-N 3.13Å; Q71-M73 VanDerWaalsContact C-N 3.34Å
72	H	96.1	Very high	97.7	Very high	48 Å²	48	67.5 Å²	67.5	22%	0.222	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.8	172.6	74.2	-72.6	0	0	0	113.6	E70 S91 V92 K93	E70-H72 PolarHBondContact O-N 3.39Å; H72-S91 PolarHBondContact CD2-OG 3.29Å; H72-S91 VanDerWaalsContact CD2-OG 3.32Å; H72-S91 CarbonylContact O-C 3.44Å; H72-S91 WeakPolarHBondContact O-CA 3.45Å; H72-V92 HydrophobicContact CB-CG2 3.74Å; H72-V92 WeakPolarHBondContact O-CG2 3.48Å; H72-V92 PolarHBondContact O-N 3.48Å; H72-K93 HydrophobicContact CB-CG 4.2Å
73	M	98.3	Very high	97.7	Very high	34 Å²	34	69.3 Å²	69.3	17%	0.167	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132	175	-73.5	-62.1	-67.7	0	0	110.1	Y66 D67 E70 Q71 Y75	Y66-M73 CarbonylContact C-O 3.57Å; Y66-M73 VanDerWaalsContact CA-O 3.28Å; Y66-M73 WeakPolarHBondContact CA-O 3.37Å; D67-M73 HydrophobicContact CB-CB 4.19Å; D67-M73 PolarHBondContact N-O 3.1Å; E70-M73 HydrophobicContact CB-CB 4.35Å; E70-M73 HydrophobicContact CB-CG 4.18Å; E70-M73 WeakPolarHBondContact O-CB 3.35Å; E70-M73 PolarHBondContact O-N 3.46Å; Q71-M73 VanDerWaalsContact C-N 3.34Å; M73-Y75 HydrophobicContact CB-CE2 4.34Å
74	V	98.4	Very high	97.7	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	176.8	-179.9	0	0	0	0	108.8	I60 L65 S89 F90 V92	I60-V74 HydrophobicContact CD1-CG1 4.39Å; I60-V74 HydrophobicContact CD1-CG2 4.35Å; I60-V74 HydrophobicContact CG1-CG1 4.29Å; I60-V74 HydrophobicContact CG2-CG1 4.23Å; I60-V74 HydrophobicContact CG2-CG2 4.05Å; L65-V74 HydrophobicContact CB-CG1 3.92Å; L65-V74 CarbonylContact O-C 3.43Å; L65-V74 VanDerWaalsContact O-CA 3.25Å; L65-V74 WeakPolarHBondContact O-CA 3.29Å; V74-S89 CarbonylContact O-C 3.48Å; V74-S89 WeakPolarHBondContact O-CA 3.47Å; V74-S89 WeakPolarHBondContact O-CB 3.37Å; V74-F90 HydrophobicContact CB-CD1 3.98Å; V74-F90 HydrophobicContact CB-CE1 3.59Å; V74-F90 HydrophobicContact CB-CE2 4.34Å; V74-F90 HydrophobicContact CB-CZ 3.79Å; V74-F90 HydrophobicContact CG1-CD1 4.22Å; V74-F90 HydrophobicContact CG1-CE1 3.5Å; V74-F90 HydrophobicContact CG1-CZ 3.9Å; V74-F90 HydrophobicContact CG2-CE1 4.2Å; V74-F90 HydrophobicContact CG2-CE2 4.21Å; V74-F90 HydrophobicContact CG2-CZ 3.87Å; V74-F90 PolarHBondContact N-O 2.88Å; V74-F90 PolarHBondContact O-N 3.4Å; V74-V92 HydrophobicContact CG2-CG1 3.97Å
75	Y	98.5	Very high	97.6	Very high	115 Å²	115	60.7 Å²	60.7	45%	0.451	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.3	174.6	-62.6	-76.5	0	0	0	109.5	L65 D67 M73	L65-Y75 PolarHBondContact O-N 3.35Å; D67-Y75 HydrophobicContact CB-CD2 4.38Å; D67-Y75 HydrophobicContact CB-CE2 3.83Å; M73-Y75 HydrophobicContact CB-CE2 4.34Å
76	C	98	Very high	97.5	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.007	34%	0.344	C	S	.	.			trans	-121.6	16.1	-174	51.5	0	0	0	0	112.9	L65 G78 D79 L81 G82 Q88	L65-C76 HydrophobicContact CD1-CB 4.35Å; C76-G78 PolarHBondContact O-N 3.04Å; C76-D79 HydrophobicContact CB-CB 4.37Å; C76-D79 VanDerWaalsContact O-CB 3.31Å; C76-D79 WeakPolarHBondContact O-CB 3.46Å; C76-D79 PolarHBondContact O-N 2.85Å; C76-L81 HydrophobicContact CB-CB 4.27Å; C76-L81 HydrophobicContact CB-CD2 4.48Å; C76-L81 HydrophobicContact CB-CG 4.38Å; C76-G82 WeakPolarHBondContact O-CA 3.32Å; C76-G82 VanDerWaalsContact SG-CA 3.53Å; C76-Q88 PolarHBondContact N-O 2.98Å
77	G	97.4	Very high	97.4	Very high	42 Å²	42	66.2 Å²	66.2	43%	0.433	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	127.7	174.7	0	0	0	0	0	111.9	D79 Q88	G77-D79 PolarHBondContact O-N 3.22Å; G77-Q88 PolarHBondContact N-O 2.76Å; G77-Q88 VanDerWaalsContact N-O 3.08Å
78	G	96.5	Very high	97.4	Very high	79 Å²	79	70.3 Å²	70.3	81%	0.814	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	5.9	-173.9	0	0	0	0	0	114.5	C76	C76-G78 PolarHBondContact O-N 3.04Å
79	D	98.4	Very high	97.5	Very high	13 Å²	13	67 Å²	67	7%	0.07	36%	0.364	C	S	.	.	S	Bend	trans	-105.2	151.3	172.3	-169.4	-89.7	0	0	0	111.2	Y59 K63 L65 C76 G77 L81 G82 E83	Y59-D79 WeakPolarHBondContact CE1-OD1 3.43Å; Y59-D79 VanDerWaalsContact OH-CG 3.28Å; Y59-D79 PolarHBondContact OH-OD1 3.14Å; Y59-D79 PolarHBondContact OH-OD2 3.37Å; K63-D79 WeakPolarHBondContact CE-OD2 3.42Å; K63-D79 IonicContact NZ-OD2 2.65Å; K63-D79 PolarHBondContact NZ-OD2 2.8Å; L65-D79 HydrophobicContact CD1-CB 4.48Å; C76-D79 HydrophobicContact CB-CB 4.37Å; C76-D79 VanDerWaalsContact O-CB 3.31Å; C76-D79 WeakPolarHBondContact O-CB 3.46Å; C76-D79 PolarHBondContact O-N 2.85Å; G77-D79 PolarHBondContact O-N 3.22Å; D79-L81 PolarHBondContact O-N 3.18Å; D79-L81 VanDerWaalsContact O-N 3.14Å; D79-L81 VanDerWaalsContact OD1-CB 3.31Å; D79-L81 WeakPolarHBondContact OD1-CB 3.5Å; D79-L81 PolarHBondContact OD1-N 2.96Å; D79-G82 WeakPolarHBondContact O-CA 3.34Å; D79-G82 PolarHBondContact O-N 3.15Å; D79-E83 PolarHBondContact O-N 3Å
80	L	97.8	Very high	97.5	Very high	79 Å²	79	58.7 Å²	58.7	41%	0.414	33%	0.325	S	S	.	.	H	α-helix	trans	-53.5	-34	174.9	-65.4	179.8	0	0	0	112.7	I36 E83 L84	I36-L80 HydrophobicContact CD1-CB 4.07Å; I36-L80 HydrophobicContact CG1-CB 3.99Å; L80-E83 PolarHBondContact O-N 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 3.04Å
81	L	98.3	Very high	97.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-41	176	-178.6	60.4	0	0	0	111.5	I36 L56 Y59 I60 L65 C76 D79 L84 L85 F90	I36-L81 HydrophobicContact CD1-CB 4.38Å; L56-L81 HydrophobicContact CD2-CD1 4.05Å; Y59-L81 HydrophobicContact CD1-CB 4.44Å; Y59-L81 HydrophobicContact CD1-CD2 4.28Å; Y59-L81 HydrophobicContact CE1-CB 3.94Å; Y59-L81 HydrophobicContact CE1-CD2 4.5Å; I60-L81 HydrophobicContact CD1-CD2 4.04Å; I60-L81 HydrophobicContact CG1-CD2 3.65Å; L65-L81 HydrophobicContact CD1-CD2 4.15Å; C76-L81 HydrophobicContact CB-CB 4.27Å; C76-L81 HydrophobicContact CB-CD2 4.48Å; C76-L81 HydrophobicContact CB-CG 4.38Å; D79-L81 PolarHBondContact O-N 3.18Å; D79-L81 VanDerWaalsContact O-N 3.14Å; D79-L81 VanDerWaalsContact OD1-CB 3.31Å; D79-L81 WeakPolarHBondContact OD1-CB 3.5Å; D79-L81 PolarHBondContact OD1-N 2.96Å; L81-L84 PolarHBondContact O-N 3.05Å; L81-L85 HydrophobicContact CD1-CD1 4.01Å; L81-L85 HydrophobicContact CD1-CG 4.39Å; L81-L85 HydrophobicContact CG-CD1 3.87Å; L81-L85 WeakPolarHBondContact O-CB 3.34Å; L81-L85 WeakPolarHBondContact O-CD1 3.46Å; L81-L85 VanDerWaalsContact O-CG 3.25Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 3.17Å; L81-F90 HydrophobicContact CD2-CE1 4.41Å
82	G	97.9	Very high	97.4	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-38.7	177.3	0	0	0	0	0	112.5	C76 D79 L84 L85 G86 R87	C76-G82 WeakPolarHBondContact O-CA 3.32Å; C76-G82 VanDerWaalsContact SG-CA 3.53Å; D79-G82 WeakPolarHBondContact O-CA 3.34Å; D79-G82 PolarHBondContact O-N 3.15Å; G82-L84 VanDerWaalsContact C-N 3.34Å; G82-L84 PolarHBondContact O-N 3.27Å; G82-L85 PolarHBondContact O-N 3.19Å; G82-G86 WeakPolarHBondContact O-CA 3.32Å; G82-G86 PolarHBondContact O-N 3.22Å; G82-R87 CarbonylContact C-O 3.51Å; G82-R87 WeakPolarHBondContact CA-O 3.46Å; G82-R87 PolarHBondContact O-N 3.24Å
83	E	97.5	Very high	97.4	Very high	140 Å²	140	57.9 Å²	57.9	65%	0.654	33%	0.327	S	S	*	.	H	α-helix	trans	-59.4	-44.8	171.6	-68.1	178.1	-164.7	0	0	111.5	D79 L80 L85 G86	D79-E83 PolarHBondContact O-N 3Å; L80-E83 PolarHBondContact O-N 3.32Å; E83-L85 PolarHBondContact O-N 2.77Å; E83-G86 PolarHBondContact O-N 2.88Å
84	L	97.3	Very high	97.3	Very high	33 Å²	33	60.1 Å²	60.1	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-36.1	179.9	-159.5	75.5	0	0	0	112.7	P32 L33 I36 L80 L81 G82 M101 N105	P32-L84 HydrophobicContact CB-CD1 3.64Å; L33-L84 HydrophobicContact CB-CD2 3.94Å; L33-L84 HydrophobicContact CD1-CD2 3.84Å; L33-L84 HydrophobicContact CG-CD2 4.41Å; I36-L84 HydrophobicContact CD1-CB 4.47Å; I36-L84 HydrophobicContact CD1-CD2 4Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 3.04Å; L81-L84 PolarHBondContact O-N 3.05Å; G82-L84 VanDerWaalsContact C-N 3.34Å; G82-L84 PolarHBondContact O-N 3.27Å; L84-M101 HydrophobicContact CB-CG 4.32Å; L84-M101 HydrophobicContact CD2-CE 4.13Å; L84-M101 HydrophobicContact CD2-CG 3.64Å; L84-M101 HydrophobicContact CD2-SD 3.3Å; L84-M101 WeakPolarHBondContact CD2-SD 3.48Å; L84-M101 HydrophobicContact CG-CG 3.67Å; L84-M101 HydrophobicContact CG-SD 4.01Å; L84-N105 WeakPolarHBondContact CD1-OD1 3.17Å
85	L	96.6	Very high	96.8	Very high	22 Å²	22	62.5 Å²	62.5	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-78	-21.7	175.6	-72.5	164.6	0	0	0	112.6	L81 G82 E83 R87 F90 P97 M101	L81-L85 HydrophobicContact CD1-CD1 4.01Å; L81-L85 HydrophobicContact CD1-CG 4.39Å; L81-L85 HydrophobicContact CG-CD1 3.87Å; L81-L85 WeakPolarHBondContact O-CB 3.34Å; L81-L85 WeakPolarHBondContact O-CD1 3.46Å; L81-L85 VanDerWaalsContact O-CG 3.25Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 3.17Å; G82-L85 PolarHBondContact O-N 3.19Å; E83-L85 PolarHBondContact O-N 2.77Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 HydrophobicContact CB-CB 4.31Å; L85-F90 HydrophobicContact CD1-CD1 3.56Å; L85-F90 HydrophobicContact CD1-CE1 3.47Å; L85-F90 VanDerWaalsContact CD1-CE1 3.47Å; L85-F90 HydrophobicContact CD1-CG 4.49Å; L85-F90 HydrophobicContact CD1-CZ 4.34Å; L85-P97 HydrophobicContact CD2-CB 4.32Å; L85-P97 WeakPolarHBondContact CD2-O 3.34Å; L85-M101 HydrophobicContact CD2-CB 3.73Å; L85-M101 HydrophobicContact CD2-CG 4.17Å
86	G	96.7	Very high	96.6	Very high	68 Å²	68	59.9 Å²	59.9	70%	0.701	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	30.9	-169.3	0	0	0	0	0	112.7	G82 E83	G82-G86 WeakPolarHBondContact O-CA 3.32Å; G82-G86 PolarHBondContact O-N 3.22Å; E83-G86 PolarHBondContact O-N 2.88Å
87	R	96.1	Very high	96.5	Very high	132 Å²	132	60.3 Å²	60.3	50%	0.498	36%	0.357	S	S	.	.	S	Bend	trans	-144.4	149.7	-173.4	-66.2	179.7	-178.9	-109	2.1	110.9	G82 L85	G82-R87 CarbonylContact C-O 3.51Å; G82-R87 WeakPolarHBondContact CA-O 3.46Å; G82-R87 PolarHBondContact O-N 3.24Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 HydrophobicContact CB-CB 4.31Å
88	Q	97.9	Very high	96.3	Very high	132 Å²	132	59.2 Å²	59.2	62%	0.617	34%	0.341	S	S	*	.	S	Bend	trans	-83	-25.3	175.3	-58.9	-62.2	72.7	0	0	112.8	C76 G77	C76-Q88 PolarHBondContact N-O 2.98Å; G77-Q88 PolarHBondContact N-O 2.76Å; G77-Q88 VanDerWaalsContact N-O 3.08Å
89	S	97.9	Very high	96.2	Very high	46 Å²	46	60.3 Å²	60.3	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	161.2	177.8	58.8	0	0	0	0	112.2	V74	V74-S89 CarbonylContact O-C 3.48Å; V74-S89 WeakPolarHBondContact O-CA 3.47Å; V74-S89 WeakPolarHBondContact O-CB 3.37Å
90	F	97.6	Very high	96.1	Very high	12 Å²	12	63 Å²	63	5%	0.053	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	163	171.2	69.9	-81.4	0	0	0	111	I60 V74 L81 L85 V92 P97 L98	I60-F90 HydrophobicContact CD1-CZ 4.06Å; V74-F90 HydrophobicContact CB-CD1 3.98Å; V74-F90 HydrophobicContact CB-CE1 3.59Å; V74-F90 HydrophobicContact CB-CE2 4.34Å; V74-F90 HydrophobicContact CB-CZ 3.79Å; V74-F90 HydrophobicContact CG1-CD1 4.22Å; V74-F90 HydrophobicContact CG1-CE1 3.5Å; V74-F90 HydrophobicContact CG1-CZ 3.9Å; V74-F90 HydrophobicContact CG2-CE1 4.2Å; V74-F90 HydrophobicContact CG2-CE2 4.21Å; V74-F90 HydrophobicContact CG2-CZ 3.87Å; V74-F90 PolarHBondContact N-O 2.88Å; V74-F90 PolarHBondContact O-N 3.4Å; L81-F90 HydrophobicContact CD2-CE1 4.41Å; L85-F90 HydrophobicContact CD1-CD1 3.56Å; L85-F90 HydrophobicContact CD1-CE1 3.47Å; L85-F90 VanDerWaalsContact CD1-CE1 3.47Å; L85-F90 HydrophobicContact CD1-CG 4.49Å; L85-F90 HydrophobicContact CD1-CZ 4.34Å; F90-V92 HydrophobicContact CE2-CG1 4.2Å; F90-P97 HydrophobicContact CB-CG 4.49Å; F90-L98 HydrophobicContact CE2-CD1 4.42Å
91	S	97.5	Very high	96.1	Very high	28 Å²	28	59.5 Å²	59.5	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.3	175.5	173.8	0	0	0	0	109.7	H72 K93 D94	H72-S91 PolarHBondContact CD2-OG 3.29Å; H72-S91 VanDerWaalsContact CD2-OG 3.32Å; H72-S91 CarbonylContact O-C 3.44Å; H72-S91 WeakPolarHBondContact O-CA 3.45Å; S91-K93 PolarHBondContact O-N 2.93Å; S91-K93 WeakPolarHBondContact OG-CB 3.35Å; S91-K93 PolarHBondContact OG-N 3.25Å; S91-D94 CarbonylContact O-C 3.29Å; S91-D94 VanDerWaalsContact O-C 3.29Å; S91-D94 PolarHBondContact O-N 3Å
92	V	95	Very high	96	Very high	77 Å²	77	59.8 Å²	59.8	47%	0.467	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.9	173.5	-52	0	0	0	0	112.4	H72 V74 F90 D94	H72-V92 HydrophobicContact CB-CG2 3.74Å; H72-V92 WeakPolarHBondContact O-CG2 3.48Å; H72-V92 PolarHBondContact O-N 3.48Å; V74-V92 HydrophobicContact CG2-CG1 3.97Å; F90-V92 HydrophobicContact CE2-CG1 4.2Å; V92-D94 VanDerWaalsContact C-N 3.3Å
93	K	96.2	Very high	95.8	Very high	157 Å²	157	67.9 Å²	67.9	68%	0.683	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.2	170.8	-63.8	179.9	-179.4	167.7	0	112.2	H72 S91 P95	H72-K93 HydrophobicContact CB-CG 4.2Å; S91-K93 PolarHBondContact O-N 2.93Å; S91-K93 WeakPolarHBondContact OG-CB 3.35Å; S91-K93 PolarHBondContact OG-N 3.25Å; K93-P95 WeakPolarHBondContact O-CD 3.29Å
94	D	95.6	Very high	95.7	Very high	81 Å²	81	68.1 Å²	68.1	43%	0.433	35%	0.347	S	S	.	.	S	Bend	trans	-111.9	89.4	169.1	175.9	21.3	0	0	0	109.4	S91 V92 S96 P97	S91-D94 CarbonylContact O-C 3.29Å; S91-D94 VanDerWaalsContact O-C 3.29Å; S91-D94 PolarHBondContact O-N 3Å; V92-D94 VanDerWaalsContact C-N 3.3Å; D94-S96 PolarHBondContact O-N 3.41Å; D94-S96 VanDerWaalsContact OD1-CB 3.27Å; D94-S96 WeakPolarHBondContact OD1-CB 3.38Å; D94-S96 PolarHBondContact OD1-N 2.82Å; D94-S96 PolarHBondContact OD1-OG 3.25Å; D94-P97 WeakPolarHBondContact O-CD 3.33Å
95	P	88	Confident	95.7	Very high	52 Å²	52	67.3 Å²	67.3	34%	0.338	34%	0.343	S	S	.	.			trans	-77	-2.4	-174.9	33.1	-37.4	0	0	0	113.4	K93 P97 L98 Y99	K93-P95 WeakPolarHBondContact O-CD 3.29Å; P95-P97 VanDerWaalsContact C-CD 3.47Å; P95-L98 WeakPolarHBondContact O-CB 3.37Å; P95-L98 PolarHBondContact O-N 3.07Å; P95-Y99 HydrophobicContact CB-CD2 3.97Å; P95-Y99 HydrophobicContact CB-CE2 3.65Å; P95-Y99 HydrophobicContact CG-CD2 4.24Å; P95-Y99 HydrophobicContact CG-CE2 3.8Å; P95-Y99 WeakPolarHBondContact O-CD2 3.42Å; P95-Y99 PolarHBondContact O-N 3.04Å
96	S	95.5	Very high	95.7	Very high	60 Å²	60	67.6 Å²	67.6	42%	0.42	35%	0.345	S	S	.	.	H	α-helix	trans	-53.5	-46.2	-175.4	-47.3	0	0	0	0	113.5	D94 L98 Y99 D100	D94-S96 PolarHBondContact O-N 3.41Å; D94-S96 VanDerWaalsContact OD1-CB 3.27Å; D94-S96 WeakPolarHBondContact OD1-CB 3.38Å; D94-S96 PolarHBondContact OD1-N 2.82Å; D94-S96 PolarHBondContact OD1-OG 3.25Å; S96-L98 PolarHBondContact O-N 2.95Å; S96-Y99 PolarHBondContact O-N 3.23Å; S96-D100 PolarHBondContact O-N 3.27Å
97	P	94.7	Very high	95.6	Very high	10 Å²	10	67.9 Å²	67.9	7%	0.065	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-36.5	177.6	-23.6	35.7	0	0	0	113.1	L85 F90 D94 P95 M101	L85-P97 HydrophobicContact CD2-CB 4.32Å; L85-P97 WeakPolarHBondContact CD2-O 3.34Å; F90-P97 HydrophobicContact CB-CG 4.49Å; D94-P97 WeakPolarHBondContact O-CD 3.33Å; P95-P97 VanDerWaalsContact C-CD 3.47Å; P97-M101 WeakPolarHBondContact O-CB 3.21Å; P97-M101 PolarHBondContact O-N 2.72Å
98	L	93.7	Very high	95.2	Very high	18 Å²	18	66.4 Å²	66.4	9%	0.094	34%	0.338	C	S	.	.	H	α-helix	trans	-70.9	-45.6	180	-167.6	151	0	0	0	110.5	M53 L56 F90 P95 S96 D100 M101 L102	M53-L98 HydrophobicContact CE-CD2 3.75Å; M53-L98 HydrophobicContact SD-CD2 3.32Å; M53-L98 WeakPolarHBondContact SD-CD2 3.35Å; L56-L98 HydrophobicContact CD1-CD2 4.29Å; F90-L98 HydrophobicContact CE2-CD1 4.42Å; P95-L98 WeakPolarHBondContact O-CB 3.37Å; P95-L98 PolarHBondContact O-N 3.07Å; S96-L98 PolarHBondContact O-N 2.95Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.7Å; L98-M101 HydrophobicContact CG-CE 4.41Å; L98-M101 WeakPolarHBondContact O-CB 3.28Å; L98-M101 PolarHBondContact O-N 3.29Å; L98-L102 HydrophobicContact CD2-CD1 3.64Å; L98-L102 HydrophobicContact CD2-CG 4.01Å; L98-L102 WeakPolarHBondContact O-CG 3.33Å; L98-L102 PolarHBondContact O-N 3.46Å
99	Y	94.3	Very high	94.3	Very high	102 Å²	102	64.1 Å²	64.1	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-37.4	176.1	-71.1	-57.2	0	0	0	112.8	P95 S96 L102 R103	P95-Y99 HydrophobicContact CB-CD2 3.97Å; P95-Y99 HydrophobicContact CB-CE2 3.65Å; P95-Y99 HydrophobicContact CG-CD2 4.24Å; P95-Y99 HydrophobicContact CG-CE2 3.8Å; P95-Y99 WeakPolarHBondContact O-CD2 3.42Å; P95-Y99 PolarHBondContact O-N 3.04Å; S96-Y99 PolarHBondContact O-N 3.23Å; Y99-L102 HydrophobicContact CD1-CD1 4.3Å; Y99-L102 PolarHBondContact O-N 2.85Å; Y99-R103 WeakPolarHBondContact O-CG 3.32Å; Y99-R103 PolarHBondContact O-N 2.74Å
100	D	96	Very high	92.7	Very high	71 Å²	71	66.3 Å²	66.3	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-65.1	-40.5	175.5	-72.1	-15.1	0	0	0	112.1	S96 L98 R103 K104	S96-D100 PolarHBondContact O-N 3.27Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.7Å; D100-R103 IonicContact OD1-NH1 2.82Å; D100-R103 PolarHBondContact OD1-NH1 3.15Å; D100-K104 WeakPolarHBondContact O-CG 3.38Å; D100-K104 PolarHBondContact O-N 2.71Å
101	M	97.2	Very high	90.8	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.02	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-45.1	172.6	175.8	-76.7	-74.9	0	0	111.1	L33 L56 L84 L85 P97 L98 R103 K104 N105	L33-M101 HydrophobicContact CD1-CE 4.35Å; L33-M101 HydrophobicContact CD1-SD 4.21Å; L33-M101 HydrophobicContact CD2-SD 4.32Å; L56-M101 HydrophobicContact CD1-CE 3.83Å; L56-M101 HydrophobicContact CD2-CE 4.28Å; L84-M101 HydrophobicContact CB-CG 4.32Å; L84-M101 HydrophobicContact CD2-CE 4.13Å; L84-M101 HydrophobicContact CD2-CG 3.64Å; L84-M101 HydrophobicContact CD2-SD 3.3Å; L84-M101 WeakPolarHBondContact CD2-SD 3.48Å; L84-M101 HydrophobicContact CG-CG 3.67Å; L84-M101 HydrophobicContact CG-SD 4.01Å; L85-M101 HydrophobicContact CD2-CB 3.73Å; L85-M101 HydrophobicContact CD2-CG 4.17Å; P97-M101 WeakPolarHBondContact O-CB 3.21Å; P97-M101 PolarHBondContact O-N 2.72Å; L98-M101 HydrophobicContact CG-CE 4.41Å; L98-M101 WeakPolarHBondContact O-CB 3.28Å; L98-M101 PolarHBondContact O-N 3.29Å; M101-R103 PolarHBondContact O-N 2.71Å; M101-K104 PolarHBondContact O-N 2.98Å; M101-K104 VanDerWaalsContact O-N 3.17Å; M101-N105 WeakPolarHBondContact O-CB 3.27Å; M101-N105 PolarHBondContact O-N 2.63Å; M101-N105 PolarHBondContact O-ND2 3.5Å; M101-N105 HydrophobicContact SD-CB 4.24Å
102	L	95.9	Very high	88.5	Confident	8 Å²	8	72.4 Å²	72.4	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-61.1	-45.8	179.2	-70.7	179.6	0	0	0	112.1	L33 V52 M53 L56 L98 Y99 K104 N105 L106	L33-L102 HydrophobicContact CD2-CD2 4.1Å; V52-L102 HydrophobicContact CG1-CD2 3.52Å; M53-L102 HydrophobicContact SD-CD1 3.59Å; M53-L102 VanDerWaalsContact SD-CD1 3.59Å; L56-L102 HydrophobicContact CD1-CD2 3.92Å; L98-L102 HydrophobicContact CD2-CD1 3.64Å; L98-L102 HydrophobicContact CD2-CG 4.01Å; L98-L102 WeakPolarHBondContact O-CG 3.33Å; L98-L102 PolarHBondContact O-N 3.46Å; Y99-L102 HydrophobicContact CD1-CD1 4.3Å; Y99-L102 PolarHBondContact O-N 2.85Å; L102-K104 PolarHBondContact O-N 2.82Å; L102-N105 PolarHBondContact O-N 2.73Å; L102-L106 HydrophobicContact CB-CD1 4.09Å; L102-L106 HydrophobicContact CD2-CD1 4.13Å; L102-L106 HydrophobicContact CD2-CG 4.42Å; L102-L106 WeakPolarHBondContact O-CB 3.37Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 2.85Å
103	R	94.7	Very high	86.2	Confident	173 Å²	173	74.8 Å²	74.8	65%	0.653	41%	0.412	S	S	*	.	H	α-helix	trans	-57.3	-35	176.8	-70.5	172.4	-170.5	112.7	5	112.5	Y99 D100 M101	Y99-R103 WeakPolarHBondContact O-CG 3.32Å; Y99-R103 PolarHBondContact O-N 2.74Å; D100-R103 IonicContact OD1-NH1 2.82Å; D100-R103 PolarHBondContact OD1-NH1 3.15Å; M101-R103 PolarHBondContact O-N 2.71Å
104	K	95.7	Very high	83.9	Confident	144 Å²	144	73 Å²	73	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-79.7	-22.9	178.6	-67.6	170.9	-174	175.2	0	113.1	K30 D100 M101 L102	K30-K104 WeakPolarHBondContact CE-O 3.34Å; K30-K104 PolarHBondContact NZ-O 2.95Å; D100-K104 WeakPolarHBondContact O-CG 3.38Å; D100-K104 PolarHBondContact O-N 2.71Å; M101-K104 PolarHBondContact O-N 2.98Å; M101-K104 VanDerWaalsContact O-N 3.17Å; L102-K104 PolarHBondContact O-N 2.82Å
105	N	97.3	Very high	81.8	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-115.7	-3.9	-168.6	-71.9	-70.3	0	0	0	115.2	P29 K30 L33 L84 M101 L102	P29-N105 CarbonylContact C-O 3.58Å; P29-N105 WeakPolarHBondContact CA-O 3.36Å; K30-N105 PolarHBondContact N-O 3.37Å; L33-N105 HydrophobicContact CB-CB 4.01Å; L33-N105 HydrophobicContact CD2-CB 3.74Å; L84-N105 WeakPolarHBondContact CD1-OD1 3.17Å; M101-N105 WeakPolarHBondContact O-CB 3.27Å; M101-N105 PolarHBondContact O-N 2.63Å; M101-N105 PolarHBondContact O-ND2 3.5Å; M101-N105 HydrophobicContact SD-CB 4.24Å; L102-N105 PolarHBondContact O-N 2.73Å
106	L	96	Very high	79.4	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.147	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.2	174.6	-63.1	179.9	0	0	0	111	V27 P29 L33 V49 V52 L102	V27-L106 HydrophobicContact CB-CB 4.26Å; V27-L106 HydrophobicContact CB-CD1 4.34Å; V27-L106 HydrophobicContact CB-CD2 4.19Å; V27-L106 HydrophobicContact CG1-CB 4.43Å; V27-L106 HydrophobicContact CG1-CD1 4.34Å; V27-L106 HydrophobicContact CG2-CD1 4.1Å; V27-L106 HydrophobicContact CG2-CD2 3.93Å; V27-L106 HydrophobicContact CG2-CG 4.49Å; P29-L106 HydrophobicContact CB-CD2 4.09Å; P29-L106 HydrophobicContact CG-CD2 3.92Å; L33-L106 HydrophobicContact CD2-CD2 3.73Å; L33-L106 HydrophobicContact CD2-CG 4.33Å; V49-L106 HydrophobicContact CG2-CD1 4.33Å; V52-L106 HydrophobicContact CG1-CD2 4.46Å; V52-L106 HydrophobicContact CG2-CD2 4.15Å; L102-L106 HydrophobicContact CB-CD1 4.09Å; L102-L106 HydrophobicContact CD2-CD1 4.13Å; L102-L106 HydrophobicContact CD2-CG 4.42Å; L102-L106 WeakPolarHBondContact O-CB 3.37Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 2.85Å
107	V	95	Very high	78.5	Confident	74 Å²	74	81.8 Å²	81.8	45%	0.448	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.2	168.7	-177.9	0	0	0	0	107.9	V27 R28	V27-V107 WeakPolarHBondContact CA-O 3.15Å; R28-V107 PolarHBondContact N-O 3.33Å; R28-V107 PolarHBondContact O-N 2.99Å
108	T	88.1	Confident	77.7	Confident	100 Å²	100	85.5 Å²	85.5	61%	0.613	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.3	173.5	-52.2	0	0	0	0	109.1
109	L	79.1	Confident	76.8	Confident	85 Å²	85	89.3 Å²	89.3	45%	0.445	52%	0.515	S	S	.	.			trans	-85.4	115.9	168.8	-77.5	143.6	0	0	0	108	Q26 R28 M46 T111	Q26-L109 PolarHBondContact O-N 2.99Å; R28-L109 HydrophobicContact CB-CD1 4.36Å; M46-L109 HydrophobicContact CE-CD1 3.16Å; M46-L109 HydrophobicContact SD-CD1 3.29Å; M46-L109 WeakPolarHBondContact SD-CD1 3.08Å; L109-T111 PolarHBondContact O-N 3.07Å
110	A	63.2	Low	75.8	Confident	92 Å²	92	88.5 Å²	88.5	76%	0.76	52%	0.522	S	S	*	.			trans	-62.5	123.8	168.3	0	0	0	0	0	107.7	A112	A110-A112 PolarHBondContact O-N 2.9Å
111	T	57.8	Low	74.5	Confident	79 Å²	79	89.6 Å²	89.6	49%	0.485	53%	0.531	S	S	.	.			trans	-61.5	111.8	163.3	49.9	0	0	0	0	106	L109 T113	L109-T111 PolarHBondContact O-N 3.07Å; T111-T113 VanDerWaalsContact C-N 3.26Å; T111-T113 PolarHBondContact O-N 2.91Å
112	A	48.7	Very low	73	Confident	89 Å²	89	95.3 Å²	95.3	74%	0.736	57%	0.565	S	S	*	*			trans	-60.2	99.3	167.4	0	0	0	0	0	106.5	A110 T114	A110-A112 PolarHBondContact O-N 2.9Å; A112-T114 PolarHBondContact O-N 2.89Å
113	T	48.1	Very low	71.4	Confident	126 Å²	126	101.6 Å²	101.6	77%	0.773	60%	0.602	S	S	*	*			trans	-69.1	94.3	162.7	-50.1	0	0	0	0	104.4	T111 G115	T111-T113 VanDerWaalsContact C-N 3.26Å; T111-T113 PolarHBondContact O-N 2.91Å; T113-G115 PolarHBondContact O-N 3.17Å
114	T	48.2	Very low	69.6	Low	121 Å²	121	96.1 Å²	96.1	74%	0.742	60%	0.598	S	S	*	*			trans	-62.6	94	166.1	-38.5	0	0	0	0	105.8	A112 D116	A112-T114 PolarHBondContact O-N 2.89Å; T114-D116 PolarHBondContact O-N 3.44Å
115	G	51.2	Low	67.4	Low	68 Å²	68	92.1 Å²	92.1	70%	0.701	60%	0.596	S	S	*	*			trans	-83.3	103.4	166.8	0	0	0	0	0	107.2	T113	T113-G115 PolarHBondContact O-N 3.17Å
116	D	36.1	Very low	64.7	Low	226 Å²	226	98.9 Å²	98.9	100%	1.209	64%	0.642	S	S	*	*			trans	-112.5	0	156.3	-90.3	-39.6	0	0	0	107.8	T114	T114-D116 PolarHBondContact O-N 3.44Å

Retrieved 116 of 116 residues in 99.8 ms (Link to these results)

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