A0A087WRA7_MOUSE Loading...

Protein phosphatase 1 regulatory subunit 7

AlphaFold DB , UniProt , Accession A0A087WRA7, Species MOUSE (Mus musculus, Mouse), Gene Ppp1r7, Length 146 aa.

						>A0A087WRA7_MOUSE|A0A087WRA7|Ppp1r7
MAAERGAGQQQSQEMMEEEHELAVDMETINLDRDAEDVDLTHYRIGKIEGLEVLKKVKSLCLRQNLIKCIENLEELQSLRELDLYDNQIKKIENLEALTELEVLDISFNMLRNIEGIDKLTQLKKLFLVNNKINKIENISNLHQLQ
					

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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	46.3	Very low	44.2	Very low	245 Å²	245	152.5 Å²	152.5	100%	1.207	88%	0.877	S	S	*	*				0	133.2	0	-155	178.9	-107.2	0	0	105.9
2	A	38.4	Very low	44.5	Very low	103 Å²	103	148.8 Å²	148.8	85%	0.851	87%	0.867	S	S	*	*			trans	81.2	137.6	-157.8	0	0	0	0	0	113.5
3	A	41.8	Very low	44.5	Very low	98 Å²	98	151.2 Å²	151.2	81%	0.81	87%	0.865	S	S	*	*			cis	-162.1	163.3	-13	0	0	0	0	0	107.7
4	E	44.9	Very low	44.7	Very low	180 Å²	180	152.4 Å²	152.4	84%	0.841	86%	0.859	S	S	*	*			trans	-63.6	162.2	-169.4	-58.5	165.5	142.2	0	0	116.8
5	R	46	Very low	44.4	Very low	250 Å²	250	152.5 Å²	152.5	94%	0.943	85%	0.853	S	S	*	*			trans	163.5	115.3	130.3	-84.8	156.9	-168	-135.8	4.4	106.7
6	G	41.1	Very low	44.5	Very low	82 Å²	82	153.1 Å²	153.1	85%	0.845	85%	0.849	S	S	*	*				100.6	71.2	50.7	0	0	0	0	0	108.3
7	A	42.8	Very low	44.5	Very low	111 Å²	111	154 Å²	154	92%	0.917	85%	0.846	S	S	*	*			trans	-103.9	79.7	173.9	0	0	0	0	0	108.9
8	G	42.9	Very low	44.6	Very low	69 Å²	69	154.7 Å²	154.7	71%	0.711	84%	0.842	S	S	*	*			trans	-80.3	122.5	168.7	0	0	0	0	0	110.4
9	Q	47.4	Very low	44.8	Very low	173 Å²	173	155.6 Å²	155.6	81%	0.808	84%	0.84	S	S	*	*			trans	45	97.2	139.3	-61.9	174.6	-8.2	0	0	117.3	Q11	Q9-Q11 PolarHBondContact O-N 3.2Å
10	Q	47.1	Very low	45.3	Very low	201 Å²	201	155.6 Å²	155.6	94%	0.939	83%	0.834	S	S	*	*			trans	-73.3	94.7	150.4	-75.5	174	-27.1	0	0	108.1
11	Q	47.6	Very low	46	Very low	165 Å²	165	152.4 Å²	152.4	77%	0.771	81%	0.814	S	S	*	*			trans	-101.8	102.2	153.7	-82.6	-177.2	-21.7	0	0	106.7	Q9 Q13	Q9-Q11 PolarHBondContact O-N 3.2Å; Q11-Q13 VanDerWaalsContact C-N 3.35Å; Q11-Q13 PolarHBondContact O-N 3Å
12	S	47.4	Very low	47.5	Very low	109 Å²	109	147.6 Å²	147.6	76%	0.762	79%	0.792	S	S	*	*			trans	-62.5	96.6	165.5	43.4	0	0	0	0	108.3	E14	S12-E14 VanDerWaalsContact C-N 3.35Å; S12-E14 PolarHBondContact O-N 2.97Å; S12-E14 VanDerWaalsContact O-N 3.13Å
13	Q	45.2	Very low	49.6	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	77%	0.774	S	S	*	*			trans	-69.3	98	159.8	-98.5	175.6	-33.4	0	0	107.1	Q11 M15	Q11-Q13 VanDerWaalsContact C-N 3.35Å; Q11-Q13 PolarHBondContact O-N 3Å; Q13-M15 PolarHBondContact O-N 3.13Å
14	E	46.8	Very low	51.6	Low	167 Å²	167	143.3 Å²	143.3	78%	0.78	75%	0.751	S	S	*	*			trans	-63.3	93.3	156.6	-71.3	177.1	170.7	0	0	106.7	S12 M16	S12-E14 VanDerWaalsContact C-N 3.35Å; S12-E14 PolarHBondContact O-N 2.97Å; S12-E14 VanDerWaalsContact O-N 3.13Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.07Å; E14-M16 VanDerWaalsContact O-N 3.07Å
15	M	40.2	Very low	53.4	Low	154 Å²	154	138.7 Å²	138.7	76%	0.759	73%	0.732	S	S	*	*			trans	-70.1	95.9	159.9	-66.7	-158.2	-43.7	0	0	106.3	Q13 E17	Q13-M15 PolarHBondContact O-N 3.13Å; M15-E17 VanDerWaalsContact C-N 3.33Å; M15-E17 PolarHBondContact O-N 3.18Å
16	M	46.5	Very low	55.2	Low	163 Å²	163	127 Å²	127	80%	0.803	69%	0.689	S	S	*	*			trans	-62.6	105.7	155.5	-76.8	179.9	-171.9	0	0	105.8	E14 E18	E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.07Å; E14-M16 VanDerWaalsContact O-N 3.07Å; M16-E18 VanDerWaalsContact C-N 3.31Å; M16-E18 PolarHBondContact O-N 3.27Å
17	E	43.9	Very low	57	Low	168 Å²	168	131.1 Å²	131.1	79%	0.785	69%	0.686	S	S	*	*			trans	-58.7	102.8	161	-71.4	174.4	161.9	0	0	105.7	M15 E19	M15-E17 VanDerWaalsContact C-N 3.33Å; M15-E17 PolarHBondContact O-N 3.18Å; E17-E19 PolarHBondContact O-N 3.46Å
18	E	47.2	Very low	58.9	Low	167 Å²	167	130.9 Å²	130.9	78%	0.78	67%	0.673	S	S	*	*			trans	-60	94.4	161.8	-75.7	-177.8	170.4	0	0	105.5	M16 H20	M16-E18 VanDerWaalsContact C-N 3.31Å; M16-E18 PolarHBondContact O-N 3.27Å; E18-H20 VanDerWaalsContact C-N 3.26Å; E18-H20 PolarHBondContact O-N 2.81Å
19	E	48.2	Very low	61.1	Low	172 Å²	172	128.9 Å²	128.9	80%	0.804	65%	0.646	S	S	*	*			trans	-52.9	102.7	160.1	-77.4	-172.2	158.6	0	0	105.6	E17 E21	E17-E19 PolarHBondContact O-N 3.46Å; E19-E21 PolarHBondContact O-N 3.42Å
20	H	54.3	Low	63.1	Low	155 Å²	155	128.3 Å²	128.3	72%	0.718	65%	0.648	S	S	*	*			trans	-64	85.4	169.1	-113.7	70.9	0	0	0	105.8	E18 L22	E18-H20 VanDerWaalsContact C-N 3.26Å; E18-H20 PolarHBondContact O-N 2.81Å; H20-L22 PolarHBondContact O-N 3.38Å
21	E	60.9	Low	65.3	Low	89 Å²	89	120.1 Å²	120.1	42%	0.416	61%	0.611	S	S	.	*			trans	-58.4	108.6	166.4	-79.6	-164.2	136.3	0	0	106.5	E19 A23 R44 L66	E19-E21 PolarHBondContact O-N 3.42Å; E21-A23 PolarHBondContact O-N 2.7Å; E21-R44 IonicContact OE1-CZ 3.99Å; E21-R44 IonicContact OE1-NE 2.7Å; E21-R44 PolarHBondContact OE1-NE 2.76Å; E21-R44 IonicContact OE1-NH2 3.78Å; E21-R44 PolarHBondContact OE1-NH2 2.63Å; E21-L66 HydrophobicContact CB-CD1 4Å
22	L	76.1	Confident	67.6	Low	144 Å²	144	117.2 Å²	117.2	75%	0.754	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-62.5	122	178.4	-67.9	170.5	0	0	0	107.9	H20	H20-L22 PolarHBondContact O-N 3.38Å
23	A	82.4	Confident	69.8	Low	57 Å²	57	119.1 Å²	119.1	47%	0.471	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-63.7	147	175.1	0	0	0	0	0	110.4	E21 R44	E21-A23 PolarHBondContact O-N 2.7Å; A23-R44 CarbonylContact C-O 3.6Å; A23-R44 WeakPolarHBondContact CA-O 3.33Å
24	V	85.4	Confident	72.2	Confident	54 Å²	54	114.8 Å²	114.8	33%	0.327	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	-71.2	138.2	172.3	165.4	0	0	0	0	109.9	M26 I29 Y43 R44	V24-M26 PolarHBondContact O-N 2.94Å; V24-I29 HydrophobicContact CG1-CD1 4.43Å; V24-Y43 VanDerWaalsContact CB-O 3.22Å; V24-Y43 WeakPolarHBondContact CB-O 3.39Å; V24-Y43 WeakPolarHBondContact CG2-O 3.13Å; V24-R44 HydrophobicContact CG2-CB 4.4Å; V24-R44 PolarHBondContact N-O 3.12Å
25	D	82.8	Confident	74.6	Confident	82 Å²	82	107.8 Å²	107.8	44%	0.439	54%	0.544	S	S	.	.			trans	-72.8	114.1	166.8	-175.7	-12.9	0	0	0	109.3	E27 T28	D25-E27 PolarHBondContact O-N 3.01Å; D25-E27 WeakPolarHBondContact OD1-CB 3.45Å; D25-E27 PolarHBondContact OD1-N 2.83Å; D25-T28 HydrophobicContact CB-CG2 4.25Å; D25-T28 PolarHBondContact O-N 2.86Å; D25-T28 PolarHBondContact O-OG1 3.18Å
26	M	83.7	Confident	77.3	Confident	6 Å²	6	104.6 Å²	104.6	3%	0.03	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-67.6	-21.2	-173.9	-140.3	164.3	178.8	0	0	112.2	V24 T28 I29 L40 I45 K47 E49 L51 L62	V24-M26 PolarHBondContact O-N 2.94Å; M26-T28 PolarHBondContact O-N 2.69Å; M26-T28 VanDerWaalsContact O-N 3.15Å; M26-I29 HydrophobicContact CG-CD1 4Å; M26-I29 WeakPolarHBondContact O-CB 3.3Å; M26-I29 PolarHBondContact O-N 2.91Å; M26-I29 VanDerWaalsContact O-N 3.09Å; M26-L40 HydrophobicContact CE-CD1 3.66Å; M26-I45 HydrophobicContact CE-CD1 3.75Å; M26-I45 HydrophobicContact CE-CG1 4.35Å; M26-I45 HydrophobicContact CE-CG2 4.11Å; M26-I45 HydrophobicContact SD-CG2 3.78Å; M26-K47 VanDerWaalsContact SD-O 3.42Å; M26-E49 HydrophobicContact CB-CG 3.89Å; M26-E49 PolarHBondContact SD-N 2.99Å; M26-E49 VanDerWaalsContact SD-N 3.39Å; M26-L51 HydrophobicContact CE-CD1 4.41Å; M26-L51 HydrophobicContact CE-CD2 3.76Å; M26-L51 HydrophobicContact CE-CG 4.14Å; M26-L62 HydrophobicContact CE-CD2 4.22Å
27	E	77.6	Confident	79.8	Confident	167 Å²	167	102.6 Å²	102.6	78%	0.78	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-62.8	-20.1	175.1	-64.2	-171.2	174	0	0	112.7	D25 I29	D25-E27 PolarHBondContact O-N 3.01Å; D25-E27 WeakPolarHBondContact OD1-CB 3.45Å; D25-E27 PolarHBondContact OD1-N 2.83Å; E27-I29 VanDerWaalsContact C-N 3.31Å
28	T	83.9	Confident	82.4	Confident	106 Å²	106	95.3 Å²	95.3	65%	0.65	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-81.5	-11.1	178.6	67.3	0	0	0	0	113.6	D25 M26	D25-T28 HydrophobicContact CB-CG2 4.25Å; D25-T28 PolarHBondContact O-N 2.86Å; D25-T28 PolarHBondContact O-OG1 3.18Å; M26-T28 PolarHBondContact O-N 2.69Å; M26-T28 VanDerWaalsContact O-N 3.15Å
29	I	88.5	Confident	84.8	Confident	28 Å²	28	92.2 Å²	92.2	14%	0.144	48%	0.476	C	S	.	.	S	Bend	trans	-87.5	119	-178.6	-55.8	179.2	0	0	0	108.9	V24 M26 E27 L31 L40 Y43 I45	V24-I29 HydrophobicContact CG1-CD1 4.43Å; M26-I29 HydrophobicContact CG-CD1 4Å; M26-I29 WeakPolarHBondContact O-CB 3.3Å; M26-I29 PolarHBondContact O-N 2.91Å; M26-I29 VanDerWaalsContact O-N 3.09Å; E27-I29 VanDerWaalsContact C-N 3.31Å; I29-L31 HydrophobicContact CG2-CD2 3.93Å; I29-L31 HydrophobicContact CG2-CG 4.23Å; I29-L31 PolarHBondContact O-N 2.89Å; I29-L40 HydrophobicContact CD1-CD2 4.33Å; I29-L40 HydrophobicContact CG2-CD2 3.86Å; I29-Y43 HydrophobicContact CD1-CD1 3.81Å; I29-Y43 HydrophobicContact CD1-CE1 4.37Å; I29-Y43 HydrophobicContact CD1-CG 4.48Å; I29-Y43 HydrophobicContact CG1-CD1 4.39Å; I29-I45 HydrophobicContact CD1-CD1 4.35Å; I29-I45 HydrophobicContact CD1-CG1 4.49Å
30	N	90.3	Very high	87.1	Confident	160 Å²	160	84.3 Å²	84.3	86%	0.856	44%	0.439	S	S	*	.			trans	-78.7	109.4	176.3	-176	47.7	0	0	0	110.6
31	L	93.4	Very high	89.2	Confident	29 Å²	29	78.9 Å²	78.9	15%	0.152	42%	0.417	C	S	.	.			trans	-103.8	129.4	179.7	-65	175.5	0	0	0	110.9	I29 R33 V38 L40 L51 V53 L54	I29-L31 HydrophobicContact CG2-CD2 3.93Å; I29-L31 HydrophobicContact CG2-CG 4.23Å; I29-L31 PolarHBondContact O-N 2.89Å; L31-R33 PolarHBondContact O-N 3.06Å; L31-V38 HydrophobicContact CD2-CG1 4.05Å; L31-L40 HydrophobicContact CD2-CD2 4.37Å; L31-L51 HydrophobicContact CD1-CD2 3.63Å; L31-V53 HydrophobicContact CB-CG1 3.75Å; L31-V53 HydrophobicContact CD1-CG1 4.03Å; L31-L54 HydrophobicContact CB-CD2 3.99Å; L31-L54 HydrophobicContact CD1-CG 4.45Å
32	D	94.3	Very high	90.8	Very high	104 Å²	104	80.6 Å²	80.6	56%	0.556	42%	0.424	S	S	*	.			trans	-79.5	119.9	172.8	-176.6	-4.4	0	0	0	109.9	D34 A35 L54	D32-D34 PolarHBondContact O-N 3.05Å; D32-D34 VanDerWaalsContact O-N 3.16Å; D32-D34 PolarHBondContact OD1-N 3.47Å; D32-A35 HydrophobicContact CB-CB 4.16Å; D32-A35 VanDerWaalsContact O-CB 3.29Å; D32-A35 WeakPolarHBondContact O-CB 3.19Å; D32-A35 PolarHBondContact O-N 2.97Å; D32-A35 VanDerWaalsContact O-N 3.07Å; D32-L54 VanDerWaalsContact O-CD2 3.31Å; D32-L54 WeakPolarHBondContact O-CD2 3.42Å
33	R	93.8	Very high	91.7	Very high	150 Å²	150	79 Å²	79	57%	0.566	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.5	178.5	171.7	167.3	-168.9	-165.4	3.4	113.4	L31 V53 K55	L31-R33 PolarHBondContact O-N 3.06Å; R33-V53 WeakPolarHBondContact CA-O 3.41Å; R33-V53 HydrophobicContact CB-CG2 4.16Å; R33-V53 VanDerWaalsContact CG-O 3.3Å; R33-V53 WeakPolarHBondContact CG-O 3.21Å; R33-K55 HydrophobicContact CG-CB 4.33Å; R33-K55 HydrophobicContact CG-CG 4.17Å; R33-K55 PolarHBondContact O-N 3.45Å; R33-K55 VanDerWaalsContact O-N 3.08Å
34	D	96	Very high	92.3	Very high	89 Å²	89	81.5 Å²	81.5	48%	0.476	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.9	-176.6	-75.8	-50.9	0	0	0	113.3	D32 E36 K56	D32-D34 PolarHBondContact O-N 3.05Å; D32-D34 VanDerWaalsContact O-N 3.16Å; D32-D34 PolarHBondContact OD1-N 3.47Å; D34-E36 PolarHBondContact O-N 3.21Å; D34-K56 WeakPolarHBondContact OD1-CD 3.3Å; D34-K56 VanDerWaalsContact OD1-CE 3.3Å; D34-K56 WeakPolarHBondContact OD1-CE 3.49Å; D34-K56 IonicContact OD1-NZ 2.75Å; D34-K56 PolarHBondContact OD1-NZ 3.07Å
35	A	97.2	Very high	92.8	Very high	20 Å²	20	78.9 Å²	78.9	17%	0.165	39%	0.391	C	S	.	.			trans	-61.7	134.3	177	0	0	0	0	0	111.7	D32 V38 K56 V57	D32-A35 HydrophobicContact CB-CB 4.16Å; D32-A35 VanDerWaalsContact O-CB 3.29Å; D32-A35 WeakPolarHBondContact O-CB 3.19Å; D32-A35 PolarHBondContact O-N 2.97Å; D32-A35 VanDerWaalsContact O-N 3.07Å; A35-V38 HydrophobicContact CB-CG2 3.89Å; A35-K56 CarbonylContact O-C 3.39Å; A35-V57 WeakPolarHBondContact O-CA 3.31Å; A35-V57 PolarHBondContact O-N 3Å
36	E	98	Very high	93.4	Very high	86 Å²	86	76.1 Å²	76.1	40%	0.402	38%	0.382	S	S	.	.	S	Bend	trans	-92.8	-27.7	171.8	-59.7	-161.3	161.1	0	0	112	D34 K58 S59	D34-E36 PolarHBondContact O-N 3.21Å; E36-K58 HydrophobicContact CB-CD 4.47Å; E36-K58 PolarHBondContact O-N 2.84Å; E36-K58 IonicContact OE1-NZ 2.72Å; E36-K58 PolarHBondContact OE1-NZ 3.47Å; E36-K58 IonicContact OE2-NZ 3.66Å; E36-K58 PolarHBondContact OE2-NZ 2.75Å; E36-S59 PolarHBondContact O-N 3.46Å
37	D	98.2	Very high	94	Very high	121 Å²	121	80.5 Å²	80.5	65%	0.647	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.6	-179.9	-57.7	-69.1	0	0	0	109.1	S59	D37-S59 WeakPolarHBondContact CA-O 3.35Å; D37-S59 WeakPolarHBondContact OD1-CB 3.25Å
38	V	98.1	Very high	94.8	Very high	15 Å²	15	72.5 Å²	72.5	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.3	-178.6	174.9	0	0	0	0	109.1	L31 A35 L40 L54 V57 S59 L60 C61	L31-V38 HydrophobicContact CD2-CG1 4.05Å; A35-V38 HydrophobicContact CB-CG2 3.89Å; V38-L40 HydrophobicContact CG1-CD1 4.03Å; V38-L40 HydrophobicContact CG1-CD2 4.37Å; V38-L40 HydrophobicContact CG1-CG 3.86Å; V38-L54 HydrophobicContact CB-CD1 4.41Å; V38-L54 HydrophobicContact CG1-CD1 4.36Å; V38-L54 HydrophobicContact CG2-CD1 3.89Å; V38-L54 HydrophobicContact CG2-CD2 3.87Å; V38-V57 HydrophobicContact CB-CG2 4.36Å; V38-V57 HydrophobicContact CG2-CG2 4.06Å; V38-S59 PolarHBondContact N-O 2.92Å; V38-L60 HydrophobicContact CB-CD1 4.07Å; V38-L60 HydrophobicContact CG1-CD1 3.91Å; V38-C61 PolarHBondContact O-N 3.46Å
39	D	98	Very high	95.3	Very high	103 Å²	103	70.1 Å²	70.1	55%	0.551	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.3	177.9	-171	-3.7	0	0	0	111.1	T41 C61	D39-T41 VanDerWaalsContact OD1-CB 3.22Å; D39-T41 WeakPolarHBondContact OD1-CB 3.3Å; D39-T41 PolarHBondContact OD1-N 3.44Å; D39-T41 PolarHBondContact OD1-OG1 3.15Å; D39-C61 HydrophobicContact CB-CB 4.4Å
40	L	97.1	Very high	95.5	Very high	5 Å²	5	70.1 Å²	70.1	3%	0.026	35%	0.352	C	S	.	.			trans	-120.8	36.5	178.9	-59.6	176.2	0	0	0	110.4	M26 I29 L31 V38 H42 Y43 I45 L51 C61 L62 N65	M26-L40 HydrophobicContact CE-CD1 3.66Å; I29-L40 HydrophobicContact CD1-CD2 4.33Å; I29-L40 HydrophobicContact CG2-CD2 3.86Å; L31-L40 HydrophobicContact CD2-CD2 4.37Å; V38-L40 HydrophobicContact CG1-CD1 4.03Å; V38-L40 HydrophobicContact CG1-CD2 4.37Å; V38-L40 HydrophobicContact CG1-CG 3.86Å; L40-H42 PolarHBondContact O-N 2.84Å; L40-Y43 HydrophobicContact CB-CD2 4.27Å; L40-Y43 HydrophobicContact CD2-CE2 4.46Å; L40-Y43 WeakPolarHBondContact O-CD2 3.07Å; L40-I45 HydrophobicContact CB-CD1 3.83Å; L40-I45 HydrophobicContact CD1-CD1 4.2Å; L40-L51 HydrophobicContact CD1-CD2 4.33Å; L40-C61 CarbonylContact C-O 3.59Å; L40-C61 WeakPolarHBondContact CA-O 3.41Å; L40-C61 PolarHBondContact N-O 3.18Å; L40-L62 HydrophobicContact CB-CD2 3.9Å; L40-L62 HydrophobicContact CD1-CD2 3.95Å; L40-N65 PolarHBondContact O-ND2 2.97Å
41	T	97.5	Very high	95.8	Very high	41 Å²	41	62.5 Å²	62.5	25%	0.252	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	130.3	176.9	-61.1	0	0	0	0	111.9	D39 Y43 C61 R63	D39-T41 VanDerWaalsContact OD1-CB 3.22Å; D39-T41 WeakPolarHBondContact OD1-CB 3.3Å; D39-T41 PolarHBondContact OD1-N 3.44Å; D39-T41 PolarHBondContact OD1-OG1 3.15Å; T41-Y43 VanDerWaalsContact O-CD2 3.24Å; T41-Y43 WeakPolarHBondContact O-CD2 3.43Å; T41-Y43 PolarHBondContact O-N 2.98Å; T41-C61 PolarHBondContact OG1-SG 2.89Å; T41-R63 CarbonylContact C-O 3.16Å; T41-R63 VanDerWaalsContact CA-O 3.29Å; T41-R63 WeakPolarHBondContact CA-O 3.29Å; T41-R63 HydrophobicContact CG2-CB 3.97Å
42	H	95.5	Very high	95.7	Very high	125 Å²	125	66 Å²	66	58%	0.579	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	34.9	173.1	-158.4	64.6	0	0	0	115.1	L40 R63 Q64	L40-H42 PolarHBondContact O-N 2.84Å; H42-R63 PolarHBondContact N-O 3Å; H42-Q64 WeakPolarHBondContact CA-O 3.45Å; H42-Q64 HydrophobicContact CB-CB 4.36Å
43	Y	94.8	Very high	95.8	Very high	110 Å²	110	63.8 Å²	63.8	43%	0.431	32%	0.316	S	S	.	.	S	Bend	trans	-90.2	2.4	176.5	-84.1	-106.9	0	0	0	113.5	V24 I29 L40 T41 I45 N65	V24-Y43 VanDerWaalsContact CB-O 3.22Å; V24-Y43 WeakPolarHBondContact CB-O 3.39Å; V24-Y43 WeakPolarHBondContact CG2-O 3.13Å; I29-Y43 HydrophobicContact CD1-CD1 3.81Å; I29-Y43 HydrophobicContact CD1-CE1 4.37Å; I29-Y43 HydrophobicContact CD1-CG 4.48Å; I29-Y43 HydrophobicContact CG1-CD1 4.39Å; L40-Y43 HydrophobicContact CB-CD2 4.27Å; L40-Y43 HydrophobicContact CD2-CE2 4.46Å; L40-Y43 WeakPolarHBondContact O-CD2 3.07Å; T41-Y43 VanDerWaalsContact O-CD2 3.24Å; T41-Y43 WeakPolarHBondContact O-CD2 3.43Å; T41-Y43 PolarHBondContact O-N 2.98Å; Y43-I45 PolarHBondContact O-N 3.43Å; Y43-N65 WeakPolarHBondContact CA-OD1 3.45Å; Y43-N65 PolarHBondContact N-OD1 3.14Å
44	R	94.9	Very high	95.9	Very high	110 Å²	110	56.6 Å²	56.6	42%	0.415	29%	0.289	S	S	.	.			trans	54.3	34.1	-173.1	-58.4	178	165.7	178.5	-9.4	112.8	E21 A23 V24 G46 N65 L66	E21-R44 IonicContact OE1-CZ 3.99Å; E21-R44 IonicContact OE1-NE 2.7Å; E21-R44 PolarHBondContact OE1-NE 2.76Å; E21-R44 IonicContact OE1-NH2 3.78Å; E21-R44 PolarHBondContact OE1-NH2 2.63Å; A23-R44 CarbonylContact C-O 3.6Å; A23-R44 WeakPolarHBondContact CA-O 3.33Å; V24-R44 HydrophobicContact CG2-CB 4.4Å; V24-R44 PolarHBondContact N-O 3.12Å; R44-G46 PolarHBondContact O-N 3.46Å; R44-N65 PolarHBondContact N-OD1 3.02Å; R44-L66 HydrophobicContact CB-CD1 4.07Å; R44-L66 HydrophobicContact CB-CG 4.46Å
45	I	95.4	Very high	95.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-67.4	120.2	177.3	-66.1	157	0	0	0	108.5	M26 I29 L40 Y43 K47 L62 N65 L66 I67	M26-I45 HydrophobicContact CE-CD1 3.75Å; M26-I45 HydrophobicContact CE-CG1 4.35Å; M26-I45 HydrophobicContact CE-CG2 4.11Å; M26-I45 HydrophobicContact SD-CG2 3.78Å; I29-I45 HydrophobicContact CD1-CD1 4.35Å; I29-I45 HydrophobicContact CD1-CG1 4.49Å; L40-I45 HydrophobicContact CB-CD1 3.83Å; L40-I45 HydrophobicContact CD1-CD1 4.2Å; Y43-I45 PolarHBondContact O-N 3.43Å; I45-K47 WeakPolarHBondContact CG2-O 3.12Å; I45-L62 HydrophobicContact CD1-CD2 3.84Å; I45-N65 HydrophobicContact CB-CB 4.17Å; I45-N65 PolarHBondContact N-OD1 2.99Å; I45-L66 CarbonylContact O-C 3.26Å; I45-L66 VanDerWaalsContact O-C 3.26Å; I45-L66 WeakPolarHBondContact O-CA 3.22Å; I45-L66 PolarHBondContact O-N 2.94Å; I45-I67 HydrophobicContact CG2-CD1 4.47Å; I45-I67 HydrophobicContact CG2-CG1 4.2Å; I45-I67 WeakPolarHBondContact O-CG1 3.13Å; I45-I67 PolarHBondContact O-N 3.18Å
46	G	95.1	Very high	95.8	Very high	24 Å²	24	60.6 Å²	60.6	25%	0.247	30%	0.299	C	S	.	.			trans	-92.2	-22.9	177.2	0	0	0	0	0	113.5	R44	R44-G46 PolarHBondContact O-N 3.46Å
47	K	95.8	Very high	95.8	Very high	97 Å²	97	56.5 Å²	56.5	42%	0.422	28%	0.28	S	S	.	.	S	Bend	trans	-143.8	136	-172.3	-165.7	-175.7	168.3	-144.3	0	109.4	M26 I45 E49 E71	M26-K47 VanDerWaalsContact SD-O 3.42Å; I45-K47 WeakPolarHBondContact CG2-O 3.12Å; K47-E49 WeakPolarHBondContact CD-OE2 3.43Å; K47-E49 WeakPolarHBondContact CE-OE2 3.29Å; K47-E49 IonicContact NZ-OE2 2.68Å; K47-E49 PolarHBondContact NZ-OE2 2.83Å; K47-E71 WeakPolarHBondContact CE-OE1 3.47Å; K47-E71 WeakPolarHBondContact CG-OE1 3.38Å
48	I	95.4	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.			trans	-85	115.8	177	-58.4	175.8	0	0	0	107.6	L51 L62 I67 E71 N72 L73	I48-L51 HydrophobicContact CG2-CD1 3.56Å; I48-L51 HydrophobicContact CG2-CG 4.18Å; I48-L62 HydrophobicContact CD1-CD1 4.21Å; I48-L62 HydrophobicContact CG1-CD1 4.45Å; I48-I67 HydrophobicContact CD1-CD1 4.24Å; I48-I67 HydrophobicContact CD1-CG2 4.05Å; I48-I67 HydrophobicContact CG1-CD1 3.96Å; I48-I67 HydrophobicContact CG1-CG1 4.36Å; I48-I67 HydrophobicContact CG1-CG2 4.06Å; I48-E71 HydrophobicContact CB-CG 4.48Å; I48-E71 WeakPolarHBondContact CB-O 3.35Å; I48-E71 VanDerWaalsContact CG2-O 3.28Å; I48-E71 WeakPolarHBondContact CG2-O 3.45Å; I48-N72 PolarHBondContact O-ND2 3.38Å; I48-L73 HydrophobicContact CG2-CD2 3.79Å; I48-L73 HydrophobicContact CG2-CG 4.48Å
49	E	94.6	Very high	95.9	Very high	56 Å²	56	55 Å²	55	26%	0.262	27%	0.269	S	S	.	.			trans	-156.5	162.7	177	61.3	-163.8	170.3	0	0	111.1	M26 K47 L51	M26-E49 HydrophobicContact CB-CG 3.89Å; M26-E49 PolarHBondContact SD-N 2.99Å; M26-E49 VanDerWaalsContact SD-N 3.39Å; K47-E49 WeakPolarHBondContact CD-OE2 3.43Å; K47-E49 WeakPolarHBondContact CE-OE2 3.29Å; K47-E49 IonicContact NZ-OE2 2.68Å; K47-E49 PolarHBondContact NZ-OE2 2.83Å; E49-L51 PolarHBondContact O-N 3.31Å; E49-L51 VanDerWaalsContact O-N 3.16Å
50	G	92.9	Very high	95.9	Very high	28 Å²	28	50 Å²	50	29%	0.289	24%	0.243	S	C	.	.	S	Bend	trans	72	4.6	179	0	0	0	0	0	115	E52 V53	G50-E52 VanDerWaalsContact C-N 3.3Å; G50-E52 WeakPolarHBondContact CA-OE2 3.44Å; G50-E52 PolarHBondContact N-OE2 3.49Å; G50-V53 WeakPolarHBondContact O-CG1 3.45Å
51	L	95.1	Very high	96	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-78.1	-12.7	179	-63.8	-170.2	0	0	0	113.1	M26 L31 L40 I48 E49 V53 L54 L60 L73 L76	M26-L51 HydrophobicContact CE-CD1 4.41Å; M26-L51 HydrophobicContact CE-CD2 3.76Å; M26-L51 HydrophobicContact CE-CG 4.14Å; L31-L51 HydrophobicContact CD1-CD2 3.63Å; L40-L51 HydrophobicContact CD1-CD2 4.33Å; I48-L51 HydrophobicContact CG2-CD1 3.56Å; I48-L51 HydrophobicContact CG2-CG 4.18Å; E49-L51 PolarHBondContact O-N 3.31Å; E49-L51 VanDerWaalsContact O-N 3.16Å; L51-V53 PolarHBondContact O-N 2.93Å; L51-L54 HydrophobicContact CB-CD1 4.45Å; L51-L54 HydrophobicContact CD2-CD1 3.97Å; L51-L54 WeakPolarHBondContact O-CB 3.29Å; L51-L54 PolarHBondContact O-N 3.48Å; L51-L60 HydrophobicContact CD1-CD1 4.44Å; L51-L60 HydrophobicContact CD1-CD2 3.68Å; L51-L73 HydrophobicContact CD1-CD2 3.89Å; L51-L76 HydrophobicContact CB-CD1 4.35Å; L51-L76 HydrophobicContact CD1-CD1 4.32Å; L51-L76 WeakPolarHBondContact O-CD2 3.21Å
52	E	92.9	Very high	96	Very high	103 Å²	103	48.8 Å²	48.8	48%	0.481	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.6	-16	179.9	68.8	-79.6	-178	0	0	113.8	G50 L54 K55 E75	G50-E52 VanDerWaalsContact C-N 3.3Å; G50-E52 WeakPolarHBondContact CA-OE2 3.44Å; G50-E52 PolarHBondContact N-OE2 3.49Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-K55 WeakPolarHBondContact O-CE 3.23Å; E52-K55 PolarHBondContact O-NZ 3.21Å; E52-E75 HydrophobicContact CB-CB 4.33Å; E52-E75 HydrophobicContact CB-CG 4.23Å
53	V	95.3	Very high	96.2	Very high	56 Å²	56	45.8 Å²	45.8	34%	0.339	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-67.4	-28.4	172.8	70.9	0	0	0	0	112.5	L31 R33 G50 L51 K55	L31-V53 HydrophobicContact CB-CG1 3.75Å; L31-V53 HydrophobicContact CD1-CG1 4.03Å; R33-V53 WeakPolarHBondContact CA-O 3.41Å; R33-V53 HydrophobicContact CB-CG2 4.16Å; R33-V53 VanDerWaalsContact CG-O 3.3Å; R33-V53 WeakPolarHBondContact CG-O 3.21Å; G50-V53 WeakPolarHBondContact O-CG1 3.45Å; L51-V53 PolarHBondContact O-N 2.93Å; V53-K55 PolarHBondContact O-N 2.97Å; V53-K55 VanDerWaalsContact O-N 3.12Å
54	L	96.3	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.			trans	-76.8	97.1	-176.6	-59.9	177.4	0	0	0	110.5	L31 D32 V38 L51 E52 V57 L76	L31-L54 HydrophobicContact CB-CD2 3.99Å; L31-L54 HydrophobicContact CD1-CG 4.45Å; D32-L54 VanDerWaalsContact O-CD2 3.31Å; D32-L54 WeakPolarHBondContact O-CD2 3.42Å; V38-L54 HydrophobicContact CB-CD1 4.41Å; V38-L54 HydrophobicContact CG1-CD1 4.36Å; V38-L54 HydrophobicContact CG2-CD1 3.89Å; V38-L54 HydrophobicContact CG2-CD2 3.87Å; L51-L54 HydrophobicContact CB-CD1 4.45Å; L51-L54 HydrophobicContact CD2-CD1 3.97Å; L51-L54 WeakPolarHBondContact O-CB 3.29Å; L51-L54 PolarHBondContact O-N 3.48Å; E52-L54 VanDerWaalsContact C-N 3.29Å; L54-V57 HydrophobicContact CB-CB 3.99Å; L54-V57 HydrophobicContact CB-CG1 3.72Å; L54-V57 HydrophobicContact CD1-CB 4.29Å; L54-V57 HydrophobicContact CD1-CG1 4.23Å; L54-V57 HydrophobicContact CD1-CG2 4.4Å; L54-L76 HydrophobicContact CB-CD2 4.03Å; L54-L76 WeakPolarHBondContact O-CD2 3.48Å
55	K	94.1	Very high	96.5	Very high	90 Å²	90	39.6 Å²	39.6	39%	0.391	20%	0.199	S	C	.	.	S	Bend	trans	-93.1	-8.6	-174.9	-64.4	-48.6	-170.3	-167.6	0	114.4	R33 E52 V53 E75	R33-K55 HydrophobicContact CG-CB 4.33Å; R33-K55 HydrophobicContact CG-CG 4.17Å; R33-K55 PolarHBondContact O-N 3.45Å; R33-K55 VanDerWaalsContact O-N 3.08Å; E52-K55 WeakPolarHBondContact O-CE 3.23Å; E52-K55 PolarHBondContact O-NZ 3.21Å; V53-K55 PolarHBondContact O-N 2.97Å; V53-K55 VanDerWaalsContact O-N 3.12Å; K55-E75 IonicContact NZ-OE2 3.53Å
56	K	97	Very high	96.6	Very high	103 Å²	103	41.1 Å²	41.1	45%	0.448	21%	0.207	S	C	.	.	S	Bend	trans	-130.8	7.2	-177	-67.2	-178.1	-179.8	156.2	0	114	D34 A35 K58	D34-K56 WeakPolarHBondContact OD1-CD 3.3Å; D34-K56 VanDerWaalsContact OD1-CE 3.3Å; D34-K56 WeakPolarHBondContact OD1-CE 3.49Å; D34-K56 IonicContact OD1-NZ 2.75Å; D34-K56 PolarHBondContact OD1-NZ 3.07Å; A35-K56 CarbonylContact O-C 3.39Å; K56-K58 PolarHBondContact O-N 3.2Å
57	V	98.4	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.			trans	-62	132.6	-176.6	65.1	0	0	0	0	110.3	A35 V38 L54 S59 L60 L76 S78 L79	A35-V57 WeakPolarHBondContact O-CA 3.31Å; A35-V57 PolarHBondContact O-N 3Å; V38-V57 HydrophobicContact CB-CG2 4.36Å; V38-V57 HydrophobicContact CG2-CG2 4.06Å; L54-V57 HydrophobicContact CB-CB 3.99Å; L54-V57 HydrophobicContact CB-CG1 3.72Å; L54-V57 HydrophobicContact CD1-CB 4.29Å; L54-V57 HydrophobicContact CD1-CG1 4.23Å; L54-V57 HydrophobicContact CD1-CG2 4.4Å; V57-S59 VanDerWaalsContact CG2-O 3.3Å; V57-S59 WeakPolarHBondContact CG2-O 3.17Å; V57-L60 HydrophobicContact CG2-CB 4.41Å; V57-L76 HydrophobicContact CG1-CB 4.25Å; V57-L76 HydrophobicContact CG1-CD1 4.12Å; V57-L76 HydrophobicContact CG1-CD2 3.82Å; V57-L76 HydrophobicContact CG1-CG 4.29Å; V57-S78 CarbonylContact O-C 3.3Å; V57-S78 VanDerWaalsContact O-C 3.3Å; V57-S78 PolarHBondContact O-OG 2.76Å; V57-L79 HydrophobicContact CG1-CD1 4.11Å; V57-L79 HydrophobicContact CG2-CD1 3.91Å; V57-L79 PolarHBondContact O-N 3.2Å
58	K	98.6	Very high	96.8	Very high	78 Å²	78	41.2 Å²	41.2	34%	0.339	20%	0.201	S	C	.	.			trans	-115.7	-35	176.8	-65.5	177.4	-169.1	158.2	0	110.7	E36 K56 R80 E81	E36-K58 HydrophobicContact CB-CD 4.47Å; E36-K58 PolarHBondContact O-N 2.84Å; E36-K58 IonicContact OE1-NZ 2.72Å; E36-K58 PolarHBondContact OE1-NZ 3.47Å; E36-K58 IonicContact OE2-NZ 3.66Å; E36-K58 PolarHBondContact OE2-NZ 2.75Å; K56-K58 PolarHBondContact O-N 3.2Å; K58-R80 WeakPolarHBondContact O-CA 3.28Å; K58-R80 PolarHBondContact O-N 3.22Å; K58-E81 PolarHBondContact O-N 3.44Å
59	S	98.8	Very high	96.9	Very high	25 Å²	25	44.1 Å²	44.1	18%	0.175	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.6	175.3	-166.5	0	0	0	0	110.8	E36 D37 V38 V57 E81	E36-S59 PolarHBondContact O-N 3.46Å; D37-S59 WeakPolarHBondContact CA-O 3.35Å; D37-S59 WeakPolarHBondContact OD1-CB 3.25Å; V38-S59 PolarHBondContact N-O 2.92Å; V57-S59 VanDerWaalsContact CG2-O 3.3Å; V57-S59 WeakPolarHBondContact CG2-O 3.17Å; S59-E81 WeakPolarHBondContact CA-O 3.47Å
60	L	98.7	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	114.8	176.4	177.4	61.4	0	0	0	109.5	V38 L51 V57 L62 L73 L76 L79 E81 L82 D83	V38-L60 HydrophobicContact CB-CD1 4.07Å; V38-L60 HydrophobicContact CG1-CD1 3.91Å; L51-L60 HydrophobicContact CD1-CD1 4.44Å; L51-L60 HydrophobicContact CD1-CD2 3.68Å; V57-L60 HydrophobicContact CG2-CB 4.41Å; L60-L62 HydrophobicContact CD1-CD1 4.42Å; L60-L62 HydrophobicContact CD1-CG 4.21Å; L60-L62 HydrophobicContact CD2-CD1 3.86Å; L60-L62 HydrophobicContact CG-CD1 3.99Å; L60-L62 HydrophobicContact CG-CG 4.12Å; L60-L73 HydrophobicContact CD2-CD2 4.09Å; L60-L76 HydrophobicContact CD2-CD1 3.87Å; L60-L79 HydrophobicContact CB-CD1 3.65Å; L60-L79 HydrophobicContact CB-CD2 4.29Å; L60-E81 PolarHBondContact N-O 2.96Å; L60-L82 HydrophobicContact CB-CD1 4.29Å; L60-L82 HydrophobicContact CD2-CD1 4.03Å; L60-L82 HydrophobicContact CG-CD1 4.23Å; L60-D83 PolarHBondContact O-N 3.38Å
61	C	98.7	Very high	97.3	Very high	20 Å²	20	42.6 Å²	42.6	14%	0.135	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.7	179.9	-178.6	0	0	0	0	109.8	V38 D39 L40 T41 R63	V38-C61 PolarHBondContact O-N 3.46Å; D39-C61 HydrophobicContact CB-CB 4.4Å; L40-C61 CarbonylContact C-O 3.59Å; L40-C61 WeakPolarHBondContact CA-O 3.41Å; L40-C61 PolarHBondContact N-O 3.18Å; T41-C61 PolarHBondContact OG1-SG 2.89Å; C61-R63 VanDerWaalsContact SG-CD 3.54Å; C61-R63 WeakPolarHBondContact SG-CG 3.23Å
62	L	98.4	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.			trans	-122.5	32.1	-178.5	-76	165	0	0	0	110.8	M26 L40 I45 I48 L60 N65 I67 D83 L84 N87	M26-L62 HydrophobicContact CE-CD2 4.22Å; L40-L62 HydrophobicContact CB-CD2 3.9Å; L40-L62 HydrophobicContact CD1-CD2 3.95Å; I45-L62 HydrophobicContact CD1-CD2 3.84Å; I48-L62 HydrophobicContact CD1-CD1 4.21Å; I48-L62 HydrophobicContact CG1-CD1 4.45Å; L60-L62 HydrophobicContact CD1-CD1 4.42Å; L60-L62 HydrophobicContact CD1-CG 4.21Å; L60-L62 HydrophobicContact CD2-CD1 3.86Å; L60-L62 HydrophobicContact CG-CD1 3.99Å; L60-L62 HydrophobicContact CG-CG 4.12Å; L62-N65 VanDerWaalsContact C-ND2 3.26Å; L62-N65 PolarHBondContact O-ND2 3.19Å; L62-I67 HydrophobicContact CB-CD1 3.95Å; L62-I67 HydrophobicContact CD1-CD1 4.12Å; L62-I67 HydrophobicContact CD2-CD1 4.18Å; L62-I67 HydrophobicContact CG-CD1 4.33Å; L62-D83 CarbonylContact C-O 3.4Å; L62-D83 WeakPolarHBondContact CA-O 3.35Å; L62-D83 PolarHBondContact N-O 3.24Å; L62-L84 HydrophobicContact CB-CD2 3.92Å; L62-L84 HydrophobicContact CD1-CD2 3.87Å; L62-N87 PolarHBondContact O-ND2 2.96Å
63	R	98.6	Very high	97.5	Very high	62 Å²	62	40.5 Å²	40.5	23%	0.234	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	148	-175.4	-59.4	178	69.9	89.9	0.9	112	T41 H42 C61 N65 D83 Y85 D105	T41-R63 CarbonylContact C-O 3.16Å; T41-R63 VanDerWaalsContact CA-O 3.29Å; T41-R63 WeakPolarHBondContact CA-O 3.29Å; T41-R63 HydrophobicContact CG2-CB 3.97Å; H42-R63 PolarHBondContact N-O 3Å; C61-R63 VanDerWaalsContact SG-CD 3.54Å; C61-R63 WeakPolarHBondContact SG-CG 3.23Å; R63-N65 PolarHBondContact O-N 3.23Å; R63-N65 PolarHBondContact O-ND2 3.13Å; R63-D83 VanDerWaalsContact CD-OD2 3.23Å; R63-D83 WeakPolarHBondContact CD-OD2 3.28Å; R63-D83 HydrophobicContact CG-CB 4.31Å; R63-D83 VanDerWaalsContact CG-CG 3.46Å; R63-D83 WeakPolarHBondContact CG-OD1 3.49Å; R63-D83 IonicContact CZ-OD2 3.63Å; R63-D83 IonicContact NE-OD2 3.83Å; R63-D83 VanDerWaalsContact NH1-CG 3.32Å; R63-D83 IonicContact NH1-OD1 3.18Å; R63-D83 PolarHBondContact NH1-OD1 2.79Å; R63-D83 IonicContact NH1-OD2 2.69Å; R63-D83 PolarHBondContact NH1-OD2 2.59Å; R63-Y85 CarbonylContact C-O 3.4Å; R63-Y85 VanDerWaalsContact CA-O 3.23Å; R63-Y85 WeakPolarHBondContact CA-O 3.41Å; R63-Y85 VanDerWaalsContact CZ-CB 3.46Å; R63-Y85 VanDerWaalsContact NH1-CB 3.3Å; R63-D105 IonicContact NH1-OD2 3.7Å
64	Q	98.1	Very high	97.6	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.383	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	45.6	170.4	-58.8	176.3	-7.6	0	0	113.2	H42 Y85 D86	H42-Q64 WeakPolarHBondContact CA-O 3.45Å; H42-Q64 HydrophobicContact CB-CB 4.36Å; Q64-Y85 PolarHBondContact N-O 2.97Å; Q64-D86 WeakPolarHBondContact CA-O 3.38Å; Q64-D86 HydrophobicContact CG-CB 4.07Å; Q64-D86 PolarHBondContact N-O 2.84Å
65	N	97.9	Very high	97.6	Very high	7 Å²	7	47 Å²	47	4%	0.037	23%	0.225	C	C	.	.			trans	-113.1	-173.8	176.8	-79	-64.5	0	0	0	110.8	L40 Y43 R44 I45 L62 R63 I67 D86 N87	L40-N65 PolarHBondContact O-ND2 2.97Å; Y43-N65 WeakPolarHBondContact CA-OD1 3.45Å; Y43-N65 PolarHBondContact N-OD1 3.14Å; R44-N65 PolarHBondContact N-OD1 3.02Å; I45-N65 HydrophobicContact CB-CB 4.17Å; I45-N65 PolarHBondContact N-OD1 2.99Å; L62-N65 VanDerWaalsContact C-ND2 3.26Å; L62-N65 PolarHBondContact O-ND2 3.19Å; R63-N65 PolarHBondContact O-N 3.23Å; R63-N65 PolarHBondContact O-ND2 3.13Å; N65-I67 HydrophobicContact CB-CD1 4.12Å; N65-I67 HydrophobicContact CB-CG1 4.02Å; N65-D86 PolarHBondContact N-O 2.8Å; N65-N87 WeakPolarHBondContact CA-OD1 3.24Å; N65-N87 WeakPolarHBondContact CB-OD1 3.49Å; N65-N87 PolarHBondContact N-OD1 2.78Å; N65-N87 PolarHBondContact O-OD1 2.95Å
66	L	97.4	Very high	97.7	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.168	21%	0.206	C	C	.	.			trans	-106.8	23.2	-177.8	-54.4	177.9	0	0	0	111.6	E21 R44 I45 K68	E21-L66 HydrophobicContact CB-CD1 4Å; R44-L66 HydrophobicContact CB-CD1 4.07Å; R44-L66 HydrophobicContact CB-CG 4.46Å; I45-L66 CarbonylContact O-C 3.26Å; I45-L66 VanDerWaalsContact O-C 3.26Å; I45-L66 WeakPolarHBondContact O-CA 3.22Å; I45-L66 PolarHBondContact O-N 2.94Å; L66-K68 PolarHBondContact O-N 3.05Å
67	I	97.7	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.			trans	-69.3	128.1	-171.9	-58.5	168.1	0	0	0	109.7	I45 I48 L62 N65 C69 L84 N87 Q88 I89	I45-I67 HydrophobicContact CG2-CD1 4.47Å; I45-I67 HydrophobicContact CG2-CG1 4.2Å; I45-I67 WeakPolarHBondContact O-CG1 3.13Å; I45-I67 PolarHBondContact O-N 3.18Å; I48-I67 HydrophobicContact CD1-CD1 4.24Å; I48-I67 HydrophobicContact CD1-CG2 4.05Å; I48-I67 HydrophobicContact CG1-CD1 3.96Å; I48-I67 HydrophobicContact CG1-CG1 4.36Å; I48-I67 HydrophobicContact CG1-CG2 4.06Å; L62-I67 HydrophobicContact CB-CD1 3.95Å; L62-I67 HydrophobicContact CD1-CD1 4.12Å; L62-I67 HydrophobicContact CD2-CD1 4.18Å; L62-I67 HydrophobicContact CG-CD1 4.33Å; N65-I67 HydrophobicContact CB-CD1 4.12Å; N65-I67 HydrophobicContact CB-CG1 4.02Å; I67-C69 WeakPolarHBondContact CG2-O 3.23Å; I67-L84 HydrophobicContact CD1-CD2 4.12Å; I67-N87 HydrophobicContact CB-CB 4.34Å; I67-N87 VanDerWaalsContact CB-OD1 3.28Å; I67-N87 WeakPolarHBondContact CB-OD1 3.12Å; I67-N87 WeakPolarHBondContact CG1-OD1 3.26Å; I67-N87 PolarHBondContact N-OD1 3.16Å; I67-N87 VanDerWaalsContact N-OD1 3.1Å; I67-Q88 CarbonylContact O-C 3.3Å; I67-Q88 VanDerWaalsContact O-C 3.3Å; I67-Q88 VanDerWaalsContact O-CA 3.31Å; I67-Q88 WeakPolarHBondContact O-CA 3.26Å; I67-Q88 PolarHBondContact O-N 2.94Å; I67-I89 HydrophobicContact CG2-CD1 4.32Å; I67-I89 HydrophobicContact CG2-CG1 4.2Å; I67-I89 PolarHBondContact O-N 2.8Å
68	K	97.4	Very high	97.6	Very high	124 Å²	124	45.1 Å²	45.1	54%	0.539	22%	0.223	S	C	.	.			trans	-104.7	-28.1	-179.2	-65.6	175.6	-175.2	174.8	0	113.4	L66 Q88 I89	L66-K68 PolarHBondContact O-N 3.05Å; K68-Q88 VanDerWaalsContact CE-OE1 3.31Å; K68-Q88 HydrophobicContact CG-CB 4.01Å; K68-I89 WeakPolarHBondContact O-CA 3.3Å
69	C	97.8	Very high	97.6	Very high	60 Å²	60	41.4 Å²	41.4	41%	0.405	21%	0.207	S	C	.	.	S	Bend	trans	-136.3	143.3	-176.2	-57.5	0	0	0	0	109.3	I67	I67-C69 WeakPolarHBondContact CG2-O 3.23Å
70	I	98.3	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.			trans	-86.2	122.9	170	-58.6	175.3	0	0	0	106.9	L73 L84 I89 I92 E93 N94 L95 I106	I70-L73 HydrophobicContact CG2-CD1 3.75Å; I70-L84 HydrophobicContact CD1-CD1 3.84Å; I70-L84 HydrophobicContact CG1-CD1 4.03Å; I70-I89 HydrophobicContact CD1-CD1 4.41Å; I70-I89 HydrophobicContact CD1-CG2 4.3Å; I70-I89 HydrophobicContact CG1-CD1 3.96Å; I70-I89 HydrophobicContact CG1-CG2 4.16Å; I70-I92 HydrophobicContact CD1-CG2 4.49Å; I70-E93 WeakPolarHBondContact CB-O 3.49Å; I70-E93 VanDerWaalsContact CG2-O 3.3Å; I70-E93 WeakPolarHBondContact CG2-O 3.37Å; I70-N94 PolarHBondContact O-ND2 3.08Å; I70-L95 HydrophobicContact CD1-CD1 4.34Å; I70-L95 HydrophobicContact CG2-CD2 3.6Å; I70-L95 HydrophobicContact CG2-CG 4.22Å; I70-I106 HydrophobicContact CD1-CD1 4.18Å
71	E	97.4	Very high	97.6	Very high	52 Å²	52	49.6 Å²	49.6	24%	0.243	24%	0.237	C	C	.	.			trans	-158.3	163.8	-178.3	55.5	-178.3	-156.4	0	0	110.5	K47 I48 L73	K47-E71 WeakPolarHBondContact CE-OE1 3.47Å; K47-E71 WeakPolarHBondContact CG-OE1 3.38Å; I48-E71 HydrophobicContact CB-CG 4.48Å; I48-E71 WeakPolarHBondContact CB-O 3.35Å; I48-E71 VanDerWaalsContact CG2-O 3.28Å; I48-E71 WeakPolarHBondContact CG2-O 3.45Å; E71-L73 VanDerWaalsContact C-N 3.28Å; E71-L73 PolarHBondContact O-N 3.48Å
72	N	96.6	Very high	97.6	Very high	59 Å²	59	48.7 Å²	48.7	32%	0.316	23%	0.231	S	C	.	.	S	Bend	trans	57.8	36	173.1	-50.5	-41.4	0	0	0	113.9	I48 E74	I48-N72 PolarHBondContact O-ND2 3.38Å; N72-E74 WeakPolarHBondContact CA-OE2 3.48Å; N72-E74 PolarHBondContact N-OE2 2.78Å
73	L	97.4	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.			trans	-108	-4.1	176.1	-61.8	-177.1	0	0	0	112.6	I48 L51 L60 I70 E71 E75 L76 L82 L95 L98	I48-L73 HydrophobicContact CG2-CD2 3.79Å; I48-L73 HydrophobicContact CG2-CG 4.48Å; L51-L73 HydrophobicContact CD1-CD2 3.89Å; L60-L73 HydrophobicContact CD2-CD2 4.09Å; I70-L73 HydrophobicContact CG2-CD1 3.75Å; E71-L73 VanDerWaalsContact C-N 3.28Å; E71-L73 PolarHBondContact O-N 3.48Å; L73-E75 PolarHBondContact O-N 3.29Å; L73-E75 VanDerWaalsContact O-N 3.11Å; L73-L76 HydrophobicContact CD2-CD1 3.81Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.68Å; L73-L82 HydrophobicContact CD1-CD2 3.87Å; L73-L95 HydrophobicContact CD1-CD2 4.06Å; L73-L98 HydrophobicContact CB-CD1 4.45Å; L73-L98 HydrophobicContact CD1-CD1 4.45Å; L73-L98 WeakPolarHBondContact O-CD2 3.19Å
74	E	96.2	Very high	97.6	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.4	-172.5	56.7	-87.1	-164.1	0	0	114.8	N72 A97	N72-E74 WeakPolarHBondContact CA-OE2 3.48Å; N72-E74 PolarHBondContact N-OE2 2.78Å; E74-A97 HydrophobicContact CB-CB 4.13Å
75	E	95.9	Very high	97.7	Very high	103 Å²	103	45.9 Å²	45.9	48%	0.481	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.9	177.8	-67.8	-65.8	128.5	0	0	113.2	E52 K55 L73 Q77	E52-E75 HydrophobicContact CB-CB 4.33Å; E52-E75 HydrophobicContact CB-CG 4.23Å; K55-E75 IonicContact NZ-OE2 3.53Å; L73-E75 PolarHBondContact O-N 3.29Å; L73-E75 VanDerWaalsContact O-N 3.11Å; E75-Q77 PolarHBondContact O-N 3.19Å
76	L	97.3	Very high	97.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.236	C	C	.	.			trans	-87	48.4	-176.3	-51.4	-169.5	0	0	0	112.1	L51 L54 V57 L60 L73 S78 L79 L98	L51-L76 HydrophobicContact CB-CD1 4.35Å; L51-L76 HydrophobicContact CD1-CD1 4.32Å; L51-L76 WeakPolarHBondContact O-CD2 3.21Å; L54-L76 HydrophobicContact CB-CD2 4.03Å; L54-L76 WeakPolarHBondContact O-CD2 3.48Å; V57-L76 HydrophobicContact CG1-CB 4.25Å; V57-L76 HydrophobicContact CG1-CD1 4.12Å; V57-L76 HydrophobicContact CG1-CD2 3.82Å; V57-L76 HydrophobicContact CG1-CG 4.29Å; L60-L76 HydrophobicContact CD2-CD1 3.87Å; L73-L76 HydrophobicContact CD2-CD1 3.81Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.68Å; L76-S78 PolarHBondContact O-N 2.82Å; L76-S78 VanDerWaalsContact O-N 3.1Å; L76-L79 HydrophobicContact CB-CB 4.21Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 2.95Å; L76-L98 HydrophobicContact CB-CD2 4.29Å; L76-L98 WeakPolarHBondContact O-CD2 3.43Å
77	Q	95.7	Very high	97.8	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.2	-171.4	-64.6	175.7	14.4	0	0	114.1	E75 L79	E75-Q77 PolarHBondContact O-N 3.19Å; Q77-L79 VanDerWaalsContact C-N 3.3Å
78	S	96.8	Very high	97.8	Very high	34 Å²	34	51.1 Å²	51.1	24%	0.238	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.3	175.3	58	0	0	0	0	114.4	V57 L76 R80	V57-S78 CarbonylContact O-C 3.3Å; V57-S78 VanDerWaalsContact O-C 3.3Å; V57-S78 PolarHBondContact O-OG 2.76Å; L76-S78 PolarHBondContact O-N 2.82Å; L76-S78 VanDerWaalsContact O-N 3.1Å; S78-R80 PolarHBondContact O-N 3.1Å
79	L	98.6	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.			trans	-68.9	131.4	-174.9	-164.2	73.9	0	0	0	110.9	V57 L60 L76 Q77 L82 L98 E100 L101	V57-L79 HydrophobicContact CG1-CD1 4.11Å; V57-L79 HydrophobicContact CG2-CD1 3.91Å; V57-L79 PolarHBondContact O-N 3.2Å; L60-L79 HydrophobicContact CB-CD1 3.65Å; L60-L79 HydrophobicContact CB-CD2 4.29Å; L76-L79 HydrophobicContact CB-CB 4.21Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 2.95Å; Q77-L79 VanDerWaalsContact C-N 3.3Å; L79-L82 HydrophobicContact CD2-CB 3.95Å; L79-L82 HydrophobicContact CD2-CD1 4.23Å; L79-L82 HydrophobicContact CD2-CG 4.47Å; L79-L98 HydrophobicContact CD2-CD1 4.16Å; L79-E100 CarbonylContact O-C 3.47Å; L79-L101 HydrophobicContact CD2-CD1 4.13Å; L79-L101 HydrophobicContact CG-CD1 4.12Å; L79-L101 PolarHBondContact O-N 3.45Å
80	R	98.7	Very high	97.8	Very high	101 Å²	101	48.3 Å²	48.3	38%	0.381	23%	0.227	S	C	.	.			trans	-114.5	-30.8	-179.7	-63.6	-172.7	176.4	-138.6	-0.9	112.5	K58 S78 E100 E102 V103	K58-R80 WeakPolarHBondContact O-CA 3.28Å; K58-R80 PolarHBondContact O-N 3.22Å; S78-R80 PolarHBondContact O-N 3.1Å; R80-E100 IonicContact NE-OE2 2.75Å; R80-E100 IonicContact NH2-OE2 3.47Å; R80-E102 HydrophobicContact CB-CG 4.4Å; R80-E102 IonicContact CZ-OE1 3.95Å; R80-E102 IonicContact NH1-OE1 2.73Å; R80-E102 PolarHBondContact NH1-OE1 2.79Å; R80-E102 WeakPolarHBondContact O-CA 3.43Å; R80-E102 PolarHBondContact O-N 2.97Å; R80-V103 PolarHBondContact O-N 3.29Å
81	E	98.9	Very high	97.8	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.444	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.2	-179.3	-53.8	-170.3	170.4	0	0	109.5	K58 S59 L60 V103	K58-E81 PolarHBondContact O-N 3.44Å; S59-E81 WeakPolarHBondContact CA-O 3.47Å; L60-E81 PolarHBondContact N-O 2.96Å; E81-V103 WeakPolarHBondContact CA-O 3.47Å; E81-V103 HydrophobicContact CB-CB 4.28Å; E81-V103 HydrophobicContact CG-CB 4.02Å; E81-V103 HydrophobicContact CG-CG2 4.09Å
82	L	98.9	Very high	97.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.9	175.2	177.8	58.5	0	0	0	109.1	L60 L73 L79 L84 L95 L98 L101 V103 L104 D105	L60-L82 HydrophobicContact CB-CD1 4.29Å; L60-L82 HydrophobicContact CD2-CD1 4.03Å; L60-L82 HydrophobicContact CG-CD1 4.23Å; L73-L82 HydrophobicContact CD1-CD2 3.87Å; L79-L82 HydrophobicContact CD2-CB 3.95Å; L79-L82 HydrophobicContact CD2-CD1 4.23Å; L79-L82 HydrophobicContact CD2-CG 4.47Å; L82-L84 HydrophobicContact CD1-CD1 4.37Å; L82-L84 HydrophobicContact CD1-CD2 4.42Å; L82-L84 HydrophobicContact CD1-CG 4.09Å; L82-L84 HydrophobicContact CD2-CD1 3.9Å; L82-L84 HydrophobicContact CD2-CG 4.49Å; L82-L84 HydrophobicContact CG-CD1 4.01Å; L82-L84 HydrophobicContact CG-CG 4.07Å; L82-L95 HydrophobicContact CD2-CD2 3.87Å; L82-L98 HydrophobicContact CD2-CD1 4.27Å; L82-L101 HydrophobicContact CB-CD1 3.9Å; L82-L101 HydrophobicContact CB-CD2 4.4Å; L82-V103 PolarHBondContact N-O 2.77Å; L82-L104 HydrophobicContact CB-CD1 4.04Å; L82-L104 HydrophobicContact CD2-CD1 3.92Å; L82-L104 HydrophobicContact CG-CD1 4.02Å; L82-L104 WeakPolarHBondContact O-CA 3.17Å; L82-D105 PolarHBondContact O-N 2.82Å
83	D	98.8	Very high	97.9	Very high	35 Å²	35	49.8 Å²	49.8	19%	0.187	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.9	179.5	-167.5	-18.5	0	0	0	110.8	L60 L62 R63 Y85	L60-D83 PolarHBondContact O-N 3.38Å; L62-D83 CarbonylContact C-O 3.4Å; L62-D83 WeakPolarHBondContact CA-O 3.35Å; L62-D83 PolarHBondContact N-O 3.24Å; R63-D83 VanDerWaalsContact CD-OD2 3.23Å; R63-D83 WeakPolarHBondContact CD-OD2 3.28Å; R63-D83 HydrophobicContact CG-CB 4.31Å; R63-D83 VanDerWaalsContact CG-CG 3.46Å; R63-D83 WeakPolarHBondContact CG-OD1 3.49Å; R63-D83 IonicContact CZ-OD2 3.63Å; R63-D83 IonicContact NE-OD2 3.83Å; R63-D83 VanDerWaalsContact NH1-CG 3.32Å; R63-D83 IonicContact NH1-OD1 3.18Å; R63-D83 PolarHBondContact NH1-OD1 2.79Å; R63-D83 IonicContact NH1-OD2 2.69Å; R63-D83 PolarHBondContact NH1-OD2 2.59Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.48Å; D83-Y85 PolarHBondContact OD1-N 2.9Å
84	L	98.8	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.			trans	-114	22.8	179.2	-67	164.6	0	0	0	111.2	L62 I67 I70 L82 D86 N87 I89 D105 I106 N109	L62-L84 HydrophobicContact CB-CD2 3.92Å; L62-L84 HydrophobicContact CD1-CD2 3.87Å; I67-L84 HydrophobicContact CD1-CD2 4.12Å; I70-L84 HydrophobicContact CD1-CD1 3.84Å; I70-L84 HydrophobicContact CG1-CD1 4.03Å; L82-L84 HydrophobicContact CD1-CD1 4.37Å; L82-L84 HydrophobicContact CD1-CD2 4.42Å; L82-L84 HydrophobicContact CD1-CG 4.09Å; L82-L84 HydrophobicContact CD2-CD1 3.9Å; L82-L84 HydrophobicContact CD2-CG 4.49Å; L82-L84 HydrophobicContact CG-CD1 4.01Å; L82-L84 HydrophobicContact CG-CG 4.07Å; L84-D86 PolarHBondContact O-N 3.05Å; L84-N87 PolarHBondContact O-ND2 3.44Å; L84-I89 HydrophobicContact CB-CD1 3.94Å; L84-I89 HydrophobicContact CD1-CD1 3.9Å; L84-I89 HydrophobicContact CD2-CD1 4.17Å; L84-I89 HydrophobicContact CG-CD1 4.24Å; L84-D105 WeakPolarHBondContact CA-O 3.3Å; L84-D105 PolarHBondContact N-O 3.43Å; L84-I106 HydrophobicContact CB-CG1 4.41Å; L84-I106 HydrophobicContact CB-CG2 4.48Å; L84-I106 HydrophobicContact CD1-CG1 4.27Å; L84-N109 PolarHBondContact O-ND2 3.44Å
85	Y	98.8	Very high	98	Very high	50 Å²	50	48.6 Å²	48.6	20%	0.196	23%	0.227	C	C	.	.			trans	-54.2	136.6	179.4	176.3	-77.7	0	0	0	112	R63 Q64 D83 N87 S107 F108	R63-Y85 CarbonylContact C-O 3.4Å; R63-Y85 VanDerWaalsContact CA-O 3.23Å; R63-Y85 WeakPolarHBondContact CA-O 3.41Å; R63-Y85 VanDerWaalsContact CZ-CB 3.46Å; R63-Y85 VanDerWaalsContact NH1-CB 3.3Å; Q64-Y85 PolarHBondContact N-O 2.97Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.48Å; D83-Y85 PolarHBondContact OD1-N 2.9Å; Y85-N87 PolarHBondContact O-ND2 3.03Å; Y85-S107 WeakPolarHBondContact CA-O 3.18Å; Y85-F108 AromaticContact CD2-CD2 3.9Å; Y85-F108 HydrophobicContact CD2-CD2 3.9Å; Y85-F108 HydrophobicContact CE1-CD2 4.31Å; Y85-F108 AromaticContact CE2-CD2 3.18Å; Y85-F108 HydrophobicContact CE2-CD2 3.18Å; Y85-F108 AromaticContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CE2 3.47Å; Y85-F108 VanDerWaalsContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CG 4.11Å; Y85-F108 AromaticContact CZ-CD2 3.39Å; Y85-F108 AromaticContact CZ-CE2 3.67Å; Y85-F108 AromaticContact CZ-CG 3.94Å; Y85-F108 WeakPolarHBondContact OH-CD2 3.47Å; Y85-F108 VanDerWaalsContact OH-CE2 3.3Å; Y85-F108 WeakPolarHBondContact OH-CE2 3.32Å
86	D	98.5	Very high	98	Very high	71 Å²	71	48.8 Å²	48.8	38%	0.38	23%	0.228	S	C	.	.	S	Bend	trans	57.8	70.5	176.6	-161.8	15.6	0	0	0	112.2	Q64 N65 L84 S107 F108	Q64-D86 WeakPolarHBondContact CA-O 3.38Å; Q64-D86 HydrophobicContact CG-CB 4.07Å; Q64-D86 PolarHBondContact N-O 2.84Å; N65-D86 PolarHBondContact N-O 2.8Å; L84-D86 PolarHBondContact O-N 3.05Å; D86-S107 PolarHBondContact N-O 2.98Å; D86-F108 VanDerWaalsContact CA-O 3.3Å; D86-F108 WeakPolarHBondContact CA-O 3.27Å; D86-F108 HydrophobicContact CB-CB 4.13Å
87	N	98.6	Very high	98	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.048	24%	0.241	C	C	.	.	S	Bend	trans	-137	-172.1	176	-84.9	-77.9	0	0	0	109.2	L62 N65 I67 L84 Y85 I89 F108 N109	L62-N87 PolarHBondContact O-ND2 2.96Å; N65-N87 WeakPolarHBondContact CA-OD1 3.24Å; N65-N87 WeakPolarHBondContact CB-OD1 3.49Å; N65-N87 PolarHBondContact N-OD1 2.78Å; N65-N87 PolarHBondContact O-OD1 2.95Å; I67-N87 HydrophobicContact CB-CB 4.34Å; I67-N87 VanDerWaalsContact CB-OD1 3.28Å; I67-N87 WeakPolarHBondContact CB-OD1 3.12Å; I67-N87 WeakPolarHBondContact CG1-OD1 3.26Å; I67-N87 PolarHBondContact N-OD1 3.16Å; I67-N87 VanDerWaalsContact N-OD1 3.1Å; L84-N87 PolarHBondContact O-ND2 3.44Å; Y85-N87 PolarHBondContact O-ND2 3.03Å; N87-I89 HydrophobicContact CB-CD1 4.18Å; N87-I89 HydrophobicContact CB-CG1 4.17Å; N87-F108 PolarHBondContact N-O 3.39Å; N87-N109 WeakPolarHBondContact CA-OD1 3.43Å; N87-N109 VanDerWaalsContact CB-OD1 3.23Å; N87-N109 WeakPolarHBondContact CB-OD1 3.42Å; N87-N109 PolarHBondContact O-OD1 2.96Å
88	Q	98	Very high	98.1	Very high	69 Å²	69	44.7 Å²	44.7	32%	0.322	22%	0.215	S	C	.	.			trans	-111.7	26.3	-176.2	-59.9	171.9	39.7	0	0	112.5	I67 K68 N109	I67-Q88 CarbonylContact O-C 3.3Å; I67-Q88 VanDerWaalsContact O-C 3.3Å; I67-Q88 VanDerWaalsContact O-CA 3.31Å; I67-Q88 WeakPolarHBondContact O-CA 3.26Å; I67-Q88 PolarHBondContact O-N 2.94Å; K68-Q88 VanDerWaalsContact CE-OE1 3.31Å; K68-Q88 HydrophobicContact CG-CB 4.01Å; Q88-N109 PolarHBondContact N-OD1 2.97Å
89	I	98.5	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.			trans	-72.9	131.8	-173	-58.9	165.9	0	0	0	110.3	I67 K68 I70 L84 N87 K91 I106 N109 M110 L111	I67-I89 HydrophobicContact CG2-CD1 4.32Å; I67-I89 HydrophobicContact CG2-CG1 4.2Å; I67-I89 PolarHBondContact O-N 2.8Å; K68-I89 WeakPolarHBondContact O-CA 3.3Å; I70-I89 HydrophobicContact CD1-CD1 4.41Å; I70-I89 HydrophobicContact CD1-CG2 4.3Å; I70-I89 HydrophobicContact CG1-CD1 3.96Å; I70-I89 HydrophobicContact CG1-CG2 4.16Å; L84-I89 HydrophobicContact CB-CD1 3.94Å; L84-I89 HydrophobicContact CD1-CD1 3.9Å; L84-I89 HydrophobicContact CD2-CD1 4.17Å; L84-I89 HydrophobicContact CG-CD1 4.24Å; N87-I89 HydrophobicContact CB-CD1 4.18Å; N87-I89 HydrophobicContact CB-CG1 4.17Å; I89-K91 WeakPolarHBondContact CG2-O 3.22Å; I89-I106 HydrophobicContact CD1-CG2 4.25Å; I89-N109 HydrophobicContact CB-CB 4.41Å; I89-N109 WeakPolarHBondContact CB-OD1 3.22Å; I89-N109 WeakPolarHBondContact CG1-OD1 3.3Å; I89-N109 PolarHBondContact N-OD1 3.1Å; I89-M110 CarbonylContact O-C 3.59Å; I89-M110 WeakPolarHBondContact O-CA 3.41Å; I89-M110 PolarHBondContact O-N 2.91Å; I89-L111 HydrophobicContact CG2-CD2 4.05Å; I89-L111 PolarHBondContact O-N 3.18Å
90	K	98	Very high	98	Very high	126 Å²	126	50.8 Å²	50.8	55%	0.548	25%	0.245	S	C	.	.			trans	-106.6	-18.7	-178	-69.2	173.2	-174.6	171.4	0	113.8	M110	K90-M110 HydrophobicContact CG-CB 3.91Å
91	K	98.3	Very high	98	Very high	85 Å²	85	46 Å²	46	37%	0.37	23%	0.227	S	C	.	.			trans	-146.1	141.9	-175.2	176.4	162.7	178.7	-127.7	0	110.2	I89 E93 E115	I89-K91 WeakPolarHBondContact CG2-O 3.22Å; K91-E93 HydrophobicContact CG-CB 4.27Å; K91-E93 HydrophobicContact CG-CG 4.26Å; K91-E93 IonicContact NZ-OE2 2.88Å; K91-E93 PolarHBondContact NZ-OE2 3.03Å; K91-E115 VanDerWaalsContact CD-OE1 3.3Å; K91-E115 WeakPolarHBondContact CD-OE1 3.45Å; K91-E115 VanDerWaalsContact CE-OE1 3.26Å; K91-E115 WeakPolarHBondContact CE-OE1 3.13Å; K91-E115 HydrophobicContact CG-CG 4.48Å; K91-E115 VanDerWaalsContact CG-OE1 3.26Å; K91-E115 WeakPolarHBondContact CG-OE1 3.36Å
92	I	98	Very high	98	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.215	C	C	.	.			trans	-90.3	118.7	169.3	-50.8	171.7	0	0	0	107.2	I70 L95 I106 L111 E115 I117 L128	I70-I92 HydrophobicContact CD1-CG2 4.49Å; I92-L95 HydrophobicContact CG2-CD1 3.55Å; I92-L95 HydrophobicContact CG2-CG 4.4Å; I92-I106 HydrophobicContact CD1-CD1 4.1Å; I92-I106 HydrophobicContact CG1-CD1 3.86Å; I92-I106 HydrophobicContact CG2-CD1 4.25Å; I92-L111 HydrophobicContact CD1-CD1 3.88Å; I92-L111 HydrophobicContact CG1-CD1 3.81Å; I92-L111 HydrophobicContact CG1-CD2 3.83Å; I92-L111 HydrophobicContact CG1-CG 4.47Å; I92-E115 VanDerWaalsContact CB-O 3.31Å; I92-E115 WeakPolarHBondContact CB-O 3.48Å; I92-I117 HydrophobicContact CD1-CG2 4.22Å; I92-I117 HydrophobicContact CG2-CG2 3.67Å; I92-L128 HydrophobicContact CD1-CD2 4.25Å
93	E	97.7	Very high	98	Very high	55 Å²	55	44.7 Å²	44.7	26%	0.257	22%	0.222	S	C	.	.			trans	-156.9	166.4	-178.3	58.7	-166.5	154.6	0	0	110.3	I70 K91 L95	I70-E93 WeakPolarHBondContact CB-O 3.49Å; I70-E93 VanDerWaalsContact CG2-O 3.3Å; I70-E93 WeakPolarHBondContact CG2-O 3.37Å; K91-E93 HydrophobicContact CG-CB 4.27Å; K91-E93 HydrophobicContact CG-CG 4.26Å; K91-E93 IonicContact NZ-OE2 2.88Å; K91-E93 PolarHBondContact NZ-OE2 3.03Å; E93-L95 VanDerWaalsContact C-N 3.25Å; E93-L95 PolarHBondContact O-N 3.1Å
94	N	97.7	Very high	98	Very high	65 Å²	65	43 Å²	43	35%	0.348	21%	0.214	S	C	.	.	S	Bend	trans	59.1	32.6	176.4	-51.5	-36.3	0	0	0	114	I70 E96	I70-N94 PolarHBondContact O-ND2 3.08Å; N94-E96 VanDerWaalsContact CA-OE2 3.22Å; N94-E96 WeakPolarHBondContact CA-OE2 3.41Å; N94-E96 PolarHBondContact N-OE2 2.86Å
95	L	97.8	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.			trans	-108.3	-3.1	176.3	-62.9	-177	0	0	0	112.4	I70 L73 L82 I92 E93 A97 L98 L104 L120	I70-L95 HydrophobicContact CD1-CD1 4.34Å; I70-L95 HydrophobicContact CG2-CD2 3.6Å; I70-L95 HydrophobicContact CG2-CG 4.22Å; L73-L95 HydrophobicContact CD1-CD2 4.06Å; L82-L95 HydrophobicContact CD2-CD2 3.87Å; I92-L95 HydrophobicContact CG2-CD1 3.55Å; I92-L95 HydrophobicContact CG2-CG 4.4Å; E93-L95 VanDerWaalsContact C-N 3.25Å; E93-L95 PolarHBondContact O-N 3.1Å; L95-A97 PolarHBondContact O-N 2.95Å; L95-A97 VanDerWaalsContact O-N 3.1Å; L95-L98 HydrophobicContact CD2-CD1 3.67Å; L95-L98 WeakPolarHBondContact O-CB 3.28Å; L95-L98 PolarHBondContact O-N 2.91Å; L95-L104 HydrophobicContact CD1-CD1 4.49Å; L95-L104 HydrophobicContact CD1-CD2 3.86Å; L95-L120 HydrophobicContact CB-CD1 4.37Å; L95-L120 HydrophobicContact CB-CD2 4.34Å; L95-L120 HydrophobicContact CD1-CD1 4.25Å; L95-L120 WeakPolarHBondContact O-CD2 3.22Å
96	E	96.4	Very high	98	Very high	108 Å²	108	41.7 Å²	41.7	51%	0.505	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	-172.6	59.6	-87.5	-161.3	0	0	114.6	N94 K119	N94-E96 VanDerWaalsContact CA-OE2 3.22Å; N94-E96 WeakPolarHBondContact CA-OE2 3.41Å; N94-E96 PolarHBondContact N-OE2 2.86Å; E96-K119 HydrophobicContact CB-CB 4.32Å; E96-K119 HydrophobicContact CB-CG 3.99Å
97	A	96.9	Very high	98	Very high	33 Å²	33	38.5 Å²	38.5	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-20.8	176.3	0	0	0	0	0	113.1	E74 L95 T99	E74-A97 HydrophobicContact CB-CB 4.13Å; L95-A97 PolarHBondContact O-N 2.95Å; L95-A97 VanDerWaalsContact O-N 3.1Å; A97-T99 PolarHBondContact O-N 2.89Å
98	L	97.7	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.			trans	-83.3	55	-174	-51.3	-173.9	0	0	0	111.8	L73 L76 L79 L82 L95 E100 L101 L120	L73-L98 HydrophobicContact CB-CD1 4.45Å; L73-L98 HydrophobicContact CD1-CD1 4.45Å; L73-L98 WeakPolarHBondContact O-CD2 3.19Å; L76-L98 HydrophobicContact CB-CD2 4.29Å; L76-L98 WeakPolarHBondContact O-CD2 3.43Å; L79-L98 HydrophobicContact CD2-CD1 4.16Å; L82-L98 HydrophobicContact CD2-CD1 4.27Å; L95-L98 HydrophobicContact CD2-CD1 3.67Å; L95-L98 WeakPolarHBondContact O-CB 3.28Å; L95-L98 PolarHBondContact O-N 2.91Å; L98-E100 PolarHBondContact O-N 3.13Å; L98-L101 HydrophobicContact CB-CB 4.18Å; L98-L101 VanDerWaalsContact O-CB 3.24Å; L98-L101 WeakPolarHBondContact O-CB 3.31Å; L98-L101 PolarHBondContact O-N 3.03Å; L98-L120 HydrophobicContact CB-CD2 4.3Å; L98-L120 WeakPolarHBondContact O-CD2 3.29Å
99	T	95.9	Very high	98	Very high	77 Å²	77	38.8 Å²	38.8	47%	0.472	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.3	-173	58.8	0	0	0	0	114.4	A97 Q122	A97-T99 PolarHBondContact O-N 2.89Å; T99-Q122 VanDerWaalsContact O-CG 3.27Å; T99-Q122 WeakPolarHBondContact O-CG 3.35Å
100	E	97.8	Very high	98	Very high	86 Å²	86	41.9 Å²	41.9	40%	0.402	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.4	173.9	-64.5	-160.6	-174.4	0	0	114	L79 R80 L98 E102	L79-E100 CarbonylContact O-C 3.47Å; R80-E100 IonicContact NE-OE2 2.75Å; R80-E100 IonicContact NH2-OE2 3.47Å; L98-E100 PolarHBondContact O-N 3.13Å; E100-E102 WeakPolarHBondContact O-CG 3.44Å; E100-E102 PolarHBondContact O-N 2.74Å
101	L	98.6	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.			trans	-65	124.5	-174	-159.5	74.8	0	0	0	111.8	L79 L82 L98 L104 L120 Q122 L123	L79-L101 HydrophobicContact CD2-CD1 4.13Å; L79-L101 HydrophobicContact CG-CD1 4.12Å; L79-L101 PolarHBondContact O-N 3.45Å; L82-L101 HydrophobicContact CB-CD1 3.9Å; L82-L101 HydrophobicContact CB-CD2 4.4Å; L98-L101 HydrophobicContact CB-CB 4.18Å; L98-L101 VanDerWaalsContact O-CB 3.24Å; L98-L101 WeakPolarHBondContact O-CB 3.31Å; L98-L101 PolarHBondContact O-N 3.03Å; L101-L104 HydrophobicContact CD2-CB 4.02Å; L101-L104 HydrophobicContact CD2-CD1 4.25Å; L101-L104 HydrophobicContact CD2-CD2 4.44Å; L101-L104 HydrophobicContact CD2-CG 4.48Å; L101-L120 HydrophobicContact CB-CD2 4.38Å; L101-L120 HydrophobicContact CD2-CD1 4.11Å; L101-Q122 CarbonylContact O-C 3.23Å; L101-Q122 VanDerWaalsContact O-C 3.23Å; L101-L123 HydrophobicContact CB-CD1 4.5Å; L101-L123 HydrophobicContact CD2-CD1 4.11Å; L101-L123 HydrophobicContact CG-CD1 4.17Å; L101-L123 WeakPolarHBondContact O-CA 3.5Å; L101-L123 PolarHBondContact O-N 2.88Å
102	E	98.7	Very high	98	Very high	43 Å²	43	38.5 Å²	38.5	20%	0.201	19%	0.19	C	C	.	.			trans	-106.5	-31.8	-178.5	-56.4	-169.7	-156.5	0	0	111.9	R80 E100 K124 K125	R80-E102 HydrophobicContact CB-CG 4.4Å; R80-E102 IonicContact CZ-OE1 3.95Å; R80-E102 IonicContact NH1-OE1 2.73Å; R80-E102 PolarHBondContact NH1-OE1 2.79Å; R80-E102 WeakPolarHBondContact O-CA 3.43Å; R80-E102 PolarHBondContact O-N 2.97Å; E100-E102 WeakPolarHBondContact O-CG 3.44Å; E100-E102 PolarHBondContact O-N 2.74Å; E102-K124 HydrophobicContact CB-CD 4.45Å; E102-K124 PolarHBondContact O-N 2.89Å; E102-K124 IonicContact OE1-NZ 3.34Å; E102-K124 WeakPolarHBondContact OE2-CE 3.43Å; E102-K124 IonicContact OE2-NZ 2.98Å; E102-K124 PolarHBondContact OE2-NZ 3.48Å; E102-K125 PolarHBondContact O-N 3.17Å
103	V	98.8	Very high	98	Very high	26 Å²	26	42.3 Å²	42.3	16%	0.158	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128	-178.1	-175	0	0	0	0	110.2	R80 E81 L82 K125 F127	R80-V103 PolarHBondContact O-N 3.29Å; E81-V103 WeakPolarHBondContact CA-O 3.47Å; E81-V103 HydrophobicContact CB-CB 4.28Å; E81-V103 HydrophobicContact CG-CB 4.02Å; E81-V103 HydrophobicContact CG-CG2 4.09Å; L82-V103 PolarHBondContact N-O 2.77Å; V103-K125 HydrophobicContact CG1-CB 4.16Å; V103-K125 HydrophobicContact CG2-CB 4.26Å; V103-K125 HydrophobicContact CG2-CD 4.18Å; V103-F127 HydrophobicContact CG1-CE2 4.19Å
104	L	98.8	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.1	174	-179.8	57	0	0	0	109.8	L82 L95 L101 I106 I117 L120 L123 K125 L126 F127	L82-L104 HydrophobicContact CB-CD1 4.04Å; L82-L104 HydrophobicContact CD2-CD1 3.92Å; L82-L104 HydrophobicContact CG-CD1 4.02Å; L82-L104 WeakPolarHBondContact O-CA 3.17Å; L95-L104 HydrophobicContact CD1-CD1 4.49Å; L95-L104 HydrophobicContact CD1-CD2 3.86Å; L101-L104 HydrophobicContact CD2-CB 4.02Å; L101-L104 HydrophobicContact CD2-CD1 4.25Å; L101-L104 HydrophobicContact CD2-CD2 4.44Å; L101-L104 HydrophobicContact CD2-CG 4.48Å; L104-I106 HydrophobicContact CD1-CD1 3.83Å; L104-I106 HydrophobicContact CD1-CG1 3.67Å; L104-I106 HydrophobicContact CD2-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CG1 4.38Å; L104-I106 HydrophobicContact CG-CD1 3.89Å; L104-I106 HydrophobicContact CG-CG1 3.84Å; L104-I117 HydrophobicContact CD2-CG2 4.23Å; L104-L120 HydrophobicContact CD2-CD1 4.06Å; L104-L123 HydrophobicContact CB-CD1 3.78Å; L104-L123 HydrophobicContact CB-CD2 4.4Å; L104-K125 PolarHBondContact N-O 3.15Å; L104-L126 HydrophobicContact CB-CD1 4.17Å; L104-L126 HydrophobicContact CD2-CD1 4.04Å; L104-L126 HydrophobicContact CG-CD1 4.15Å; L104-L126 WeakPolarHBondContact O-CA 3.47Å; L104-F127 PolarHBondContact O-N 3.03Å
105	D	98.8	Very high	97.9	Very high	22 Å²	22	40 Å²	40	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	115	169.7	-168	-7.2	0	0	0	110	R63 L82 L84 S107 F127	R63-D105 IonicContact NH1-OD2 3.7Å; L82-D105 PolarHBondContact O-N 2.82Å; L84-D105 WeakPolarHBondContact CA-O 3.3Å; L84-D105 PolarHBondContact N-O 3.43Å; D105-S107 WeakPolarHBondContact OD1-CB 3.24Å; D105-S107 PolarHBondContact OD1-N 2.7Å; D105-S107 PolarHBondContact OD1-OG 3.26Å; D105-F127 HydrophobicContact CB-CB 4.12Å; D105-F127 HydrophobicContact CB-CD2 4.13Å; D105-F127 WeakPolarHBondContact OD1-CB 3.49Å
106	I	98.6	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.			trans	-126.6	37.7	171.4	-43.4	174.3	0	0	0	108.5	I70 L84 I89 I92 L104 N109 L111 F127 L128 N131	I70-I106 HydrophobicContact CD1-CD1 4.18Å; L84-I106 HydrophobicContact CB-CG1 4.41Å; L84-I106 HydrophobicContact CB-CG2 4.48Å; L84-I106 HydrophobicContact CD1-CG1 4.27Å; I89-I106 HydrophobicContact CD1-CG2 4.25Å; I92-I106 HydrophobicContact CD1-CD1 4.1Å; I92-I106 HydrophobicContact CG1-CD1 3.86Å; I92-I106 HydrophobicContact CG2-CD1 4.25Å; L104-I106 HydrophobicContact CD1-CD1 3.83Å; L104-I106 HydrophobicContact CD1-CG1 3.67Å; L104-I106 HydrophobicContact CD2-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CG1 4.38Å; L104-I106 HydrophobicContact CG-CD1 3.89Å; L104-I106 HydrophobicContact CG-CG1 3.84Å; I106-N109 HydrophobicContact CG2-CB 4.01Å; I106-N109 WeakPolarHBondContact CG2-ND2 3.09Å; I106-N109 PolarHBondContact O-ND2 3.1Å; I106-L111 HydrophobicContact CB-CD1 4.2Å; I106-L111 HydrophobicContact CG2-CD1 3.88Å; I106-L111 HydrophobicContact CG2-CG 4.44Å; I106-F127 CarbonylContact C-O 3.32Å; I106-F127 PolarHBondContact N-O 3.27Å; I106-L128 HydrophobicContact CB-CD2 4.4Å; I106-N131 PolarHBondContact O-ND2 3.42Å
107	S	98.8	Very high	97.8	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	19%	0.187	C	C	.	.			trans	-70.2	157.8	174.8	-55.4	0	0	0	0	111	Y85 D86 D105 N109 F127 V129	Y85-S107 WeakPolarHBondContact CA-O 3.18Å; D86-S107 PolarHBondContact N-O 2.98Å; D105-S107 WeakPolarHBondContact OD1-CB 3.24Å; D105-S107 PolarHBondContact OD1-N 2.7Å; D105-S107 PolarHBondContact OD1-OG 3.26Å; S107-N109 PolarHBondContact O-N 3.27Å; S107-N109 PolarHBondContact O-ND2 3.02Å; S107-F127 WeakPolarHBondContact OG-CB 3.47Å; S107-V129 CarbonylContact C-O 3.59Å; S107-V129 WeakPolarHBondContact CA-O 3.48Å; S107-V129 WeakPolarHBondContact CB-O 3.37Å; S107-V129 PolarHBondContact OG-N 3.41Å; S107-V129 VanDerWaalsContact OG-N 3.12Å
108	F	98.6	Very high	97.6	Very high	73 Å²	73	37.9 Å²	37.9	32%	0.32	19%	0.191	S	C	.	.	S	Bend	trans	54.8	52.9	-179.4	-65.6	-101.9	0	0	0	111.8	Y85 D86 N87 V129 N130	Y85-F108 AromaticContact CD2-CD2 3.9Å; Y85-F108 HydrophobicContact CD2-CD2 3.9Å; Y85-F108 HydrophobicContact CE1-CD2 4.31Å; Y85-F108 AromaticContact CE2-CD2 3.18Å; Y85-F108 HydrophobicContact CE2-CD2 3.18Å; Y85-F108 AromaticContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CE2 3.47Å; Y85-F108 VanDerWaalsContact CE2-CE2 3.47Å; Y85-F108 HydrophobicContact CE2-CG 4.11Å; Y85-F108 AromaticContact CZ-CD2 3.39Å; Y85-F108 AromaticContact CZ-CE2 3.67Å; Y85-F108 AromaticContact CZ-CG 3.94Å; Y85-F108 WeakPolarHBondContact OH-CD2 3.47Å; Y85-F108 VanDerWaalsContact OH-CE2 3.3Å; Y85-F108 WeakPolarHBondContact OH-CE2 3.32Å; D86-F108 VanDerWaalsContact CA-O 3.3Å; D86-F108 WeakPolarHBondContact CA-O 3.27Å; D86-F108 HydrophobicContact CB-CB 4.13Å; N87-F108 PolarHBondContact N-O 3.39Å; F108-V129 HydrophobicContact CE2-CG1 4.28Å; F108-V129 PolarHBondContact N-O 2.73Å; F108-N130 WeakPolarHBondContact CA-O 3.45Å; F108-N130 HydrophobicContact CD1-CB 3.85Å; F108-N130 WeakPolarHBondContact CD1-ND2 2.97Å; F108-N130 HydrophobicContact CD2-CB 4.09Å; F108-N130 HydrophobicContact CE1-CB 3.85Å; F108-N130 HydrophobicContact CE2-CB 4.09Å; F108-N130 HydrophobicContact CG-CB 3.96Å; F108-N130 HydrophobicContact CZ-CB 3.97Å
109	N	98.7	Very high	97.5	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.053	22%	0.216	C	C	.	.	S	Bend	trans	-128.8	-168.5	176.6	-86	-84.6	0	0	0	109.7	L84 N87 Q88 I89 I106 S107 L111 N131	L84-N109 PolarHBondContact O-ND2 3.44Å; N87-N109 WeakPolarHBondContact CA-OD1 3.43Å; N87-N109 VanDerWaalsContact CB-OD1 3.23Å; N87-N109 WeakPolarHBondContact CB-OD1 3.42Å; N87-N109 PolarHBondContact O-OD1 2.96Å; Q88-N109 PolarHBondContact N-OD1 2.97Å; I89-N109 HydrophobicContact CB-CB 4.41Å; I89-N109 WeakPolarHBondContact CB-OD1 3.22Å; I89-N109 WeakPolarHBondContact CG1-OD1 3.3Å; I89-N109 PolarHBondContact N-OD1 3.1Å; I106-N109 HydrophobicContact CG2-CB 4.01Å; I106-N109 WeakPolarHBondContact CG2-ND2 3.09Å; I106-N109 PolarHBondContact O-ND2 3.1Å; S107-N109 PolarHBondContact O-N 3.27Å; S107-N109 PolarHBondContact O-ND2 3.02Å; N109-L111 HydrophobicContact CB-CG 4.43Å; N109-N131 WeakPolarHBondContact CA-OD1 2.96Å; N109-N131 VanDerWaalsContact CB-OD1 3.29Å; N109-N131 WeakPolarHBondContact CB-OD1 3.18Å; N109-N131 PolarHBondContact O-OD1 2.79Å
110	M	98.1	Very high	97.6	Very high	65 Å²	65	39.8 Å²	39.8	32%	0.32	19%	0.193	S	C	.	.			trans	-113.4	24.9	-176	-56.1	-172.9	82.7	0	0	113.1	I89 K90 N131	I89-M110 CarbonylContact O-C 3.59Å; I89-M110 WeakPolarHBondContact O-CA 3.41Å; I89-M110 PolarHBondContact O-N 2.91Å; K90-M110 HydrophobicContact CG-CB 3.91Å; M110-N131 PolarHBondContact N-OD1 3.27Å
111	L	98.3	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.			trans	-63.1	140.2	-178	-57.8	176.2	0	0	0	111.2	I89 I92 I106 N109 L128 N131 K132 I133	I89-L111 HydrophobicContact CG2-CD2 4.05Å; I89-L111 PolarHBondContact O-N 3.18Å; I92-L111 HydrophobicContact CD1-CD1 3.88Å; I92-L111 HydrophobicContact CG1-CD1 3.81Å; I92-L111 HydrophobicContact CG1-CD2 3.83Å; I92-L111 HydrophobicContact CG1-CG 4.47Å; I106-L111 HydrophobicContact CB-CD1 4.2Å; I106-L111 HydrophobicContact CG2-CD1 3.88Å; I106-L111 HydrophobicContact CG2-CG 4.44Å; N109-L111 HydrophobicContact CB-CG 4.43Å; L111-L128 HydrophobicContact CD1-CD2 3.73Å; L111-N131 HydrophobicContact CB-CB 4.11Å; L111-N131 VanDerWaalsContact CB-OD1 3.25Å; L111-N131 WeakPolarHBondContact CB-OD1 3.38Å; L111-N131 VanDerWaalsContact CG-OD1 3.28Å; L111-N131 WeakPolarHBondContact CG-OD1 3.28Å; L111-N131 PolarHBondContact N-OD1 3.09Å; L111-K132 CarbonylContact O-C 3.54Å; L111-K132 WeakPolarHBondContact O-CA 3.42Å; L111-K132 WeakPolarHBondContact O-CB 3.12Å; L111-K132 PolarHBondContact O-N 3.16Å; L111-I133 HydrophobicContact CB-CD1 4.12Å; L111-I133 HydrophobicContact CB-CG1 4.11Å; L111-I133 PolarHBondContact O-N 3.28Å
112	R	97.6	Very high	97.5	Very high	140 Å²	140	43.1 Å²	43.1	53%	0.528	21%	0.213	S	C	.	.			trans	-110	-27.8	175.5	-68.5	-171.3	178	91.2	-5.3	114	K132 I133	R112-K132 HydrophobicContact CG-CB 4.32Å; R112-I133 WeakPolarHBondContact O-CA 3.19Å
113	N	97.5	Very high	97.5	Very high	82 Å²	82	41 Å²	41	44%	0.439	20%	0.204	S	C	.	.	S	Bend	trans	-133.2	156.2	-177.9	-57	-29.8	0	0	0	108.9
114	I	97.1	Very high	97.4	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.036	21%	0.211	C	C	.	.			trans	-92.7	117.4	166.5	-55.5	176.1	0	0	0	106.5	I117 L128 I133 I136 E137 N138 I139	I114-I117 HydrophobicContact CG2-CD1 3.39Å; I114-I117 HydrophobicContact CG2-CG1 4.16Å; I114-L128 HydrophobicContact CD1-CD1 3.85Å; I114-L128 HydrophobicContact CG1-CD1 3.92Å; I114-I133 HydrophobicContact CD1-CG2 4.34Å; I114-I133 HydrophobicContact CG1-CD1 3.96Å; I114-I133 HydrophobicContact CG1-CG2 4.05Å; I114-I136 HydrophobicContact CD1-CG2 4.45Å; I114-E137 WeakPolarHBondContact CB-O 3.49Å; I114-N138 WeakPolarHBondContact O-CB 3.45Å; I114-N138 PolarHBondContact O-ND2 3.05Å; I114-I139 HydrophobicContact CD1-CG2 4.45Å; I114-I139 HydrophobicContact CG2-CG2 4Å
115	E	96.3	Very high	97.4	Very high	65 Å²	65	48.4 Å²	48.4	30%	0.304	23%	0.234	S	C	.	.			trans	-153.4	174.2	-179.8	60.2	-173.3	172.9	0	0	109.6	K91 I92 I117	K91-E115 VanDerWaalsContact CD-OE1 3.3Å; K91-E115 WeakPolarHBondContact CD-OE1 3.45Å; K91-E115 VanDerWaalsContact CE-OE1 3.26Å; K91-E115 WeakPolarHBondContact CE-OE1 3.13Å; K91-E115 HydrophobicContact CG-CG 4.48Å; K91-E115 VanDerWaalsContact CG-OE1 3.26Å; K91-E115 WeakPolarHBondContact CG-OE1 3.36Å; I92-E115 VanDerWaalsContact CB-O 3.31Å; I92-E115 WeakPolarHBondContact CB-O 3.48Å; E115-I117 PolarHBondContact O-N 3.07Å
116	G	95.2	Very high	97.4	Very high	27 Å²	27	49 Å²	49	28%	0.278	24%	0.237	S	C	.	.	S	Bend	trans	66.4	9.7	171.9	0	0	0	0	0	116.5
117	I	96.4	Very high	97.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.255	C	S	.	.			trans	-113.9	3.3	-179.7	62.8	179.3	0	0	0	113.4	I92 L104 I114 E115 K119 L120 L126 I139 L142	I92-I117 HydrophobicContact CD1-CG2 4.22Å; I92-I117 HydrophobicContact CG2-CG2 3.67Å; L104-I117 HydrophobicContact CD2-CG2 4.23Å; I114-I117 HydrophobicContact CG2-CD1 3.39Å; I114-I117 HydrophobicContact CG2-CG1 4.16Å; E115-I117 PolarHBondContact O-N 3.07Å; I117-K119 PolarHBondContact O-N 3.36Å; I117-K119 VanDerWaalsContact O-N 3.1Å; I117-L120 HydrophobicContact CB-CD1 3.93Å; I117-L120 HydrophobicContact CB-CG 4.39Å; I117-L120 HydrophobicContact CG2-CD1 3.85Å; I117-L120 WeakPolarHBondContact O-CB 3.4Å; I117-L120 PolarHBondContact O-N 3.23Å; I117-L126 HydrophobicContact CD1-CD2 3.76Å; I117-I139 HydrophobicContact CD1-CG2 4.23Å; I117-L142 HydrophobicContact CD1-CD1 3.76Å; I117-L142 HydrophobicContact CG1-CD1 4.27Å; I117-L142 WeakPolarHBondContact O-CD2 3.35Å
118	D	94.3	Very high	97.3	Very high	67 Å²	67	54.6 Å²	54.6	36%	0.358	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.6	-173.9	61.5	-75.4	0	0	0	114.2
119	K	95.8	Very high	97.3	Very high	117 Å²	117	55.3 Å²	55.3	51%	0.509	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.9	176.9	-57.5	-55.2	-179.3	-166	0	114.1	E96 I117 T121	E96-K119 HydrophobicContact CB-CB 4.32Å; E96-K119 HydrophobicContact CB-CG 3.99Å; I117-K119 PolarHBondContact O-N 3.36Å; I117-K119 VanDerWaalsContact O-N 3.1Å; K119-T121 PolarHBondContact O-N 3.47Å
120	L	96.9	Very high	97.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.297	C	S	.	.			trans	-81.4	56.9	-176.7	-52.8	-178.4	0	0	0	110.9	L95 L98 L101 L104 I117 Q122 L123 L142	L95-L120 HydrophobicContact CB-CD1 4.37Å; L95-L120 HydrophobicContact CB-CD2 4.34Å; L95-L120 HydrophobicContact CD1-CD1 4.25Å; L95-L120 WeakPolarHBondContact O-CD2 3.22Å; L98-L120 HydrophobicContact CB-CD2 4.3Å; L98-L120 WeakPolarHBondContact O-CD2 3.29Å; L101-L120 HydrophobicContact CB-CD2 4.38Å; L101-L120 HydrophobicContact CD2-CD1 4.11Å; L104-L120 HydrophobicContact CD2-CD1 4.06Å; I117-L120 HydrophobicContact CB-CD1 3.93Å; I117-L120 HydrophobicContact CB-CG 4.39Å; I117-L120 HydrophobicContact CG2-CD1 3.85Å; I117-L120 WeakPolarHBondContact O-CB 3.4Å; I117-L120 PolarHBondContact O-N 3.23Å; L120-Q122 PolarHBondContact O-N 3.42Å; L120-Q122 VanDerWaalsContact O-N 3.13Å; L120-L123 HydrophobicContact CB-CB 4.14Å; L120-L123 WeakPolarHBondContact O-CB 2.94Å; L120-L123 PolarHBondContact O-N 2.72Å; L120-L142 HydrophobicContact CB-CD2 4.44Å; L120-L142 VanDerWaalsContact O-CD2 3.28Å; L120-L142 WeakPolarHBondContact O-CD2 3.3Å
121	T	96.1	Very high	97.3	Very high	66 Å²	66	58.2 Å²	58.2	41%	0.405	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.2	-171.7	56.2	0	0	0	0	113.8	K119 L123 Q144	K119-T121 PolarHBondContact O-N 3.47Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-Q144 WeakPolarHBondContact O-CG 3.14Å
122	Q	97.8	Very high	97.2	Very high	89 Å²	89	63.5 Å²	63.5	42%	0.416	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.5	176.4	-63.2	-59.7	105.5	0	0	113.6	T99 L101 L120 K124	T99-Q122 VanDerWaalsContact O-CG 3.27Å; T99-Q122 WeakPolarHBondContact O-CG 3.35Å; L101-Q122 CarbonylContact O-C 3.23Å; L101-Q122 VanDerWaalsContact O-C 3.23Å; L120-Q122 PolarHBondContact O-N 3.42Å; L120-Q122 VanDerWaalsContact O-N 3.13Å; Q122-K124 PolarHBondContact O-N 2.69Å
123	L	98.3	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.			trans	-66.7	121.9	-175.3	-159.1	74.8	0	0	0	111	L101 L104 L120 T121 L126 L142 Q144 L145	L101-L123 HydrophobicContact CB-CD1 4.5Å; L101-L123 HydrophobicContact CD2-CD1 4.11Å; L101-L123 HydrophobicContact CG-CD1 4.17Å; L101-L123 WeakPolarHBondContact O-CA 3.5Å; L101-L123 PolarHBondContact O-N 2.88Å; L104-L123 HydrophobicContact CB-CD1 3.78Å; L104-L123 HydrophobicContact CB-CD2 4.4Å; L120-L123 HydrophobicContact CB-CB 4.14Å; L120-L123 WeakPolarHBondContact O-CB 2.94Å; L120-L123 PolarHBondContact O-N 2.72Å; T121-L123 VanDerWaalsContact C-N 3.34Å; L123-L126 HydrophobicContact CD2-CB 3.96Å; L123-L126 HydrophobicContact CD2-CD1 4.19Å; L123-L126 HydrophobicContact CD2-CD2 4.45Å; L123-L126 HydrophobicContact CD2-CG 4.42Å; L123-L142 HydrophobicContact CB-CD2 4.48Å; L123-L142 HydrophobicContact CD2-CD1 4.32Å; L123-Q144 CarbonylContact O-C 3.59Å; L123-L145 HydrophobicContact CD2-CD1 4.28Å; L123-L145 HydrophobicContact CG-CD1 4.33Å; L123-L145 PolarHBondContact O-N 2.72Å
124	K	98.4	Very high	97.1	Very high	69 Å²	69	62.3 Å²	62.3	30%	0.3	32%	0.316	S	S	.	.			trans	-103.7	-31.2	-179.8	-64.3	171.6	-171.2	165.8	0	112.1	E102 Q122 Q144 Q146	E102-K124 HydrophobicContact CB-CD 4.45Å; E102-K124 PolarHBondContact O-N 2.89Å; E102-K124 IonicContact OE1-NZ 3.34Å; E102-K124 WeakPolarHBondContact OE2-CE 3.43Å; E102-K124 IonicContact OE2-NZ 2.98Å; E102-K124 PolarHBondContact OE2-NZ 3.48Å; Q122-K124 PolarHBondContact O-N 2.69Å; K124-Q144 WeakPolarHBondContact CA-O 3.5Å; K124-Q144 HydrophobicContact CG-CB 4.22Å; K124-Q146 PolarHBondContact O-N 2.75Å
125	K	98.4	Very high	97	Very high	111 Å²	111	68.1 Å²	68.1	48%	0.483	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.4	-179.1	-61.2	178.4	-175	170.3	0	110.3	E102 V103 L104 F127	E102-K125 PolarHBondContact O-N 3.17Å; V103-K125 HydrophobicContact CG1-CB 4.16Å; V103-K125 HydrophobicContact CG2-CB 4.26Å; V103-K125 HydrophobicContact CG2-CD 4.18Å; L104-K125 PolarHBondContact N-O 3.15Å; K125-F127 HydrophobicContact CB-CE2 3.8Å; K125-F127 HydrophobicContact CB-CZ 4.19Å; K125-F127 HydrophobicContact CD-CE2 4.3Å; K125-F127 HydrophobicContact CD-CZ 4.26Å
126	L	98.1	Very high	96.9	Very high	35 Å²	35	71.3 Å²	71.3	18%	0.183	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.3	177.2	177	59.1	0	0	0	109	L104 I117 L123 L128 L142 L145	L104-L126 HydrophobicContact CB-CD1 4.17Å; L104-L126 HydrophobicContact CD2-CD1 4.04Å; L104-L126 HydrophobicContact CG-CD1 4.15Å; L104-L126 WeakPolarHBondContact O-CA 3.47Å; I117-L126 HydrophobicContact CD1-CD2 3.76Å; L123-L126 HydrophobicContact CD2-CB 3.96Å; L123-L126 HydrophobicContact CD2-CD1 4.19Å; L123-L126 HydrophobicContact CD2-CD2 4.45Å; L123-L126 HydrophobicContact CD2-CG 4.42Å; L126-L128 HydrophobicContact CD1-CD1 4.39Å; L126-L128 HydrophobicContact CD1-CD2 4.1Å; L126-L128 HydrophobicContact CD1-CG 4.05Å; L126-L128 HydrophobicContact CD2-CD1 3.96Å; L126-L128 HydrophobicContact CD2-CG 4.46Å; L126-L128 HydrophobicContact CG-CD1 4.04Å; L126-L128 HydrophobicContact CG-CG 3.99Å; L126-L142 HydrophobicContact CD2-CD1 4.42Å; L126-L145 HydrophobicContact CB-CD1 3.74Å; L126-L145 HydrophobicContact CB-CD2 4.48Å
127	F	98.3	Very high	96.9	Very high	87 Å²	87	72.9 Å²	72.9	38%	0.382	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.4	177.6	-55.5	-82.8	0	0	0	110	V103 L104 D105 I106 S107 K125	V103-F127 HydrophobicContact CG1-CE2 4.19Å; L104-F127 PolarHBondContact O-N 3.03Å; D105-F127 HydrophobicContact CB-CB 4.12Å; D105-F127 HydrophobicContact CB-CD2 4.13Å; D105-F127 WeakPolarHBondContact OD1-CB 3.49Å; I106-F127 CarbonylContact C-O 3.32Å; I106-F127 PolarHBondContact N-O 3.27Å; S107-F127 WeakPolarHBondContact OG-CB 3.47Å; K125-F127 HydrophobicContact CB-CE2 3.8Å; K125-F127 HydrophobicContact CB-CZ 4.19Å; K125-F127 HydrophobicContact CD-CE2 4.3Å; K125-F127 HydrophobicContact CD-CZ 4.26Å
128	L	97.8	Very high	96.7	Very high	35 Å²	35	77 Å²	77	18%	0.183	38%	0.381	C	S	.	.			trans	-128.3	24	-178.4	-63.3	171.6	0	0	0	111.2	I92 I106 L111 I114 L126 N131 I133	I92-L128 HydrophobicContact CD1-CD2 4.25Å; I106-L128 HydrophobicContact CB-CD2 4.4Å; L111-L128 HydrophobicContact CD1-CD2 3.73Å; I114-L128 HydrophobicContact CD1-CD1 3.85Å; I114-L128 HydrophobicContact CG1-CD1 3.92Å; L126-L128 HydrophobicContact CD1-CD1 4.39Å; L126-L128 HydrophobicContact CD1-CD2 4.1Å; L126-L128 HydrophobicContact CD1-CG 4.05Å; L126-L128 HydrophobicContact CD2-CD1 3.96Å; L126-L128 HydrophobicContact CD2-CG 4.46Å; L126-L128 HydrophobicContact CG-CD1 4.04Å; L126-L128 HydrophobicContact CG-CG 3.99Å; L128-N131 PolarHBondContact O-ND2 3.27Å; L128-I133 HydrophobicContact CB-CD1 4.11Å; L128-I133 HydrophobicContact CD1-CD1 3.94Å; L128-I133 HydrophobicContact CD2-CD1 4.39Å; L128-I133 HydrophobicContact CG-CD1 4.39Å
129	V	97.9	Very high	96.7	Very high	87 Å²	87	76.7 Å²	76.7	53%	0.527	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	143.3	-173	-178.3	0	0	0	0	109.9	S107 F108 N131	S107-V129 CarbonylContact C-O 3.59Å; S107-V129 WeakPolarHBondContact CA-O 3.48Å; S107-V129 WeakPolarHBondContact CB-O 3.37Å; S107-V129 PolarHBondContact OG-N 3.41Å; S107-V129 VanDerWaalsContact OG-N 3.12Å; F108-V129 HydrophobicContact CE2-CG1 4.28Å; F108-V129 PolarHBondContact N-O 2.73Å; V129-N131 PolarHBondContact O-N 2.75Å
130	N	98.1	Very high	96.6	Very high	106 Å²	106	75.4 Å²	75.4	57%	0.567	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	50.5	177.5	-162	58	0	0	0	114	F108	F108-N130 WeakPolarHBondContact CA-O 3.45Å; F108-N130 HydrophobicContact CD1-CB 3.85Å; F108-N130 WeakPolarHBondContact CD1-ND2 2.97Å; F108-N130 HydrophobicContact CD2-CB 4.09Å; F108-N130 HydrophobicContact CE1-CB 3.85Å; F108-N130 HydrophobicContact CE2-CB 4.09Å; F108-N130 HydrophobicContact CG-CB 3.96Å; F108-N130 HydrophobicContact CZ-CB 3.97Å
131	N	98.4	Very high	96.4	Very high	30 Å²	30	78.8 Å²	78.8	16%	0.16	40%	0.402	C	S	.	.	S	Bend	trans	-111.2	-174.8	166.3	-82.5	-77.9	0	0	0	110.5	I106 N109 M110 L111 L128 V129 I133	I106-N131 PolarHBondContact O-ND2 3.42Å; N109-N131 WeakPolarHBondContact CA-OD1 2.96Å; N109-N131 VanDerWaalsContact CB-OD1 3.29Å; N109-N131 WeakPolarHBondContact CB-OD1 3.18Å; N109-N131 PolarHBondContact O-OD1 2.79Å; M110-N131 PolarHBondContact N-OD1 3.27Å; L111-N131 HydrophobicContact CB-CB 4.11Å; L111-N131 VanDerWaalsContact CB-OD1 3.25Å; L111-N131 WeakPolarHBondContact CB-OD1 3.38Å; L111-N131 VanDerWaalsContact CG-OD1 3.28Å; L111-N131 WeakPolarHBondContact CG-OD1 3.28Å; L111-N131 PolarHBondContact N-OD1 3.09Å; L128-N131 PolarHBondContact O-ND2 3.27Å; V129-N131 PolarHBondContact O-N 2.75Å; N131-I133 HydrophobicContact CB-CD1 4.05Å; N131-I133 HydrophobicContact CB-CG1 4.1Å
132	K	97.3	Very high	96.3	Very high	111 Å²	111	76.1 Å²	76.1	48%	0.483	39%	0.385	S	S	.	.			trans	-107.6	32.3	177.5	-57.8	-177.2	-178.1	-178.8	0	112	L111 R112	L111-K132 CarbonylContact O-C 3.54Å; L111-K132 WeakPolarHBondContact O-CA 3.42Å; L111-K132 WeakPolarHBondContact O-CB 3.12Å; L111-K132 PolarHBondContact O-N 3.16Å; R112-K132 HydrophobicContact CG-CB 4.32Å
133	I	97.3	Very high	96.1	Very high	41 Å²	41	79 Å²	79	21%	0.21	40%	0.399	C	S	.	.			trans	-78.7	121.1	-177.8	-63.6	165.9	0	0	0	109.6	L111 R112 I114 L128 N131 K135	L111-I133 HydrophobicContact CB-CD1 4.12Å; L111-I133 HydrophobicContact CB-CG1 4.11Å; L111-I133 PolarHBondContact O-N 3.28Å; R112-I133 WeakPolarHBondContact O-CA 3.19Å; I114-I133 HydrophobicContact CD1-CG2 4.34Å; I114-I133 HydrophobicContact CG1-CD1 3.96Å; I114-I133 HydrophobicContact CG1-CG2 4.05Å; L128-I133 HydrophobicContact CB-CD1 4.11Å; L128-I133 HydrophobicContact CD1-CD1 3.94Å; L128-I133 HydrophobicContact CD2-CD1 4.39Å; L128-I133 HydrophobicContact CG-CD1 4.39Å; N131-I133 HydrophobicContact CB-CD1 4.05Å; N131-I133 HydrophobicContact CB-CG1 4.1Å; I133-K135 WeakPolarHBondContact CG2-O 3.31Å
134	N	94.1	Very high	96	Very high	156 Å²	156	83.4 Å²	83.4	83%	0.834	42%	0.419	S	S	*	.			trans	-98.5	-11.3	-176.6	-64.4	-42.8	0	0	0	113.6
135	K	95.9	Very high	95.8	Very high	129 Å²	129	83 Å²	83	56%	0.561	42%	0.42	S	S	*	.			trans	-149.1	140.3	-176.1	-174.1	-178.3	172.9	-155.8	0	110.4	I133 E137	I133-K135 WeakPolarHBondContact CG2-O 3.31Å; K135-E137 WeakPolarHBondContact CD-OE2 3.34Å; K135-E137 VanDerWaalsContact CE-OE2 3.3Å; K135-E137 WeakPolarHBondContact CE-OE2 3.42Å; K135-E137 IonicContact NZ-OE2 2.7Å; K135-E137 PolarHBondContact NZ-OE2 3.49Å
136	I	94.3	Very high	95.1	Very high	132 Å²	132	88.3 Å²	88.3	68%	0.677	45%	0.446	S	S	*	.			trans	-89.9	115.4	170.8	-57.5	175.7	0	0	0	107.9	I114 I139	I114-I136 HydrophobicContact CD1-CG2 4.45Å; I136-I139 HydrophobicContact CG2-CD1 3.46Å; I136-I139 VanDerWaalsContact CG2-CD1 3.46Å; I136-I139 HydrophobicContact CG2-CG1 4.2Å
137	E	94.7	Very high	95	Very high	60 Å²	60	91 Å²	91	28%	0.28	46%	0.46	S	S	.	.			trans	-152.8	174	177.9	60.6	-172.3	174.5	0	0	110.3	I114 K135 I139	I114-E137 WeakPolarHBondContact CB-O 3.49Å; K135-E137 WeakPolarHBondContact CD-OE2 3.34Å; K135-E137 VanDerWaalsContact CE-OE2 3.3Å; K135-E137 WeakPolarHBondContact CE-OE2 3.42Å; K135-E137 IonicContact NZ-OE2 2.7Å; K135-E137 PolarHBondContact NZ-OE2 3.49Å; E137-I139 PolarHBondContact O-N 2.93Å; E137-I139 VanDerWaalsContact O-N 3.13Å
138	N	93.5	Very high	94.8	Very high	88 Å²	88	91.2 Å²	91.2	47%	0.471	46%	0.464	S	S	.	.	S	Bend	trans	59.3	23.6	175.9	-56.3	-32.1	0	0	0	116	I114	I114-N138 WeakPolarHBondContact O-CB 3.45Å; I114-N138 PolarHBondContact O-ND2 3.05Å
139	I	93.9	Very high	94.6	Very high	60 Å²	60	94.3 Å²	94.3	31%	0.308	48%	0.479	S	S	.	.			trans	-107.6	4.4	175.9	58	168.5	0	0	0	113.3	I114 I117 I136 E137 N141 L142	I114-I139 HydrophobicContact CD1-CG2 4.45Å; I114-I139 HydrophobicContact CG2-CG2 4Å; I117-I139 HydrophobicContact CD1-CG2 4.23Å; I136-I139 HydrophobicContact CG2-CD1 3.46Å; I136-I139 VanDerWaalsContact CG2-CD1 3.46Å; I136-I139 HydrophobicContact CG2-CG1 4.2Å; E137-I139 PolarHBondContact O-N 2.93Å; E137-I139 VanDerWaalsContact O-N 3.13Å; I139-N141 PolarHBondContact O-N 2.99Å; I139-L142 HydrophobicContact CB-CD1 4.07Å; I139-L142 HydrophobicContact CG2-CD1 4Å; I139-L142 WeakPolarHBondContact O-CB 3.41Å; I139-L142 PolarHBondContact O-N 2.96Å; I139-L142 VanDerWaalsContact O-N 3.14Å
140	S	92.2	Very high	94.4	Very high	91 Å²	91	94.7 Å²	94.7	64%	0.636	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.6	-172.3	53.7	0	0	0	0	114.5	H143	S140-H143 PolarHBondContact O-CE1 3.12Å; S140-H143 PolarHBondContact O-ND1 3.06Å
141	N	92.7	Very high	94.2	Very high	72 Å²	72	94 Å²	94	39%	0.385	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.8	-178.6	-60.6	-12.7	0	0	0	112.7	I139 H143	I139-N141 PolarHBondContact O-N 2.99Å; N141-H143 VanDerWaalsContact C-N 3.27Å; N141-H143 PolarHBondContact O-CD2 3.11Å; N141-H143 PolarHBondContact O-N 3.08Å
142	L	94.7	Very high	93.9	Very high	9 Å²	9	98.3 Å²	98.3	5%	0.047	49%	0.492	C	S	.	.			trans	-87.6	64.6	-176.6	-52.7	-178.4	0	0	0	110.4	I117 L120 L123 L126 I139 Q144 L145	I117-L142 HydrophobicContact CD1-CD1 3.76Å; I117-L142 HydrophobicContact CG1-CD1 4.27Å; I117-L142 WeakPolarHBondContact O-CD2 3.35Å; L120-L142 HydrophobicContact CB-CD2 4.44Å; L120-L142 VanDerWaalsContact O-CD2 3.28Å; L120-L142 WeakPolarHBondContact O-CD2 3.3Å; L123-L142 HydrophobicContact CB-CD2 4.48Å; L123-L142 HydrophobicContact CD2-CD1 4.32Å; L126-L142 HydrophobicContact CD2-CD1 4.42Å; I139-L142 HydrophobicContact CB-CD1 4.07Å; I139-L142 HydrophobicContact CG2-CD1 4Å; I139-L142 WeakPolarHBondContact O-CB 3.41Å; I139-L142 PolarHBondContact O-N 2.96Å; I139-L142 VanDerWaalsContact O-N 3.14Å; L142-Q144 PolarHBondContact O-N 2.98Å; L142-L145 HydrophobicContact CB-CB 4.07Å; L142-L145 HydrophobicContact CB-CD2 4.43Å; L142-L145 HydrophobicContact CD1-CD2 4.26Å; L142-L145 VanDerWaalsContact O-CB 3.29Å; L142-L145 WeakPolarHBondContact O-CB 3.3Å; L142-L145 PolarHBondContact O-N 3.16Å; L142-L145 VanDerWaalsContact O-N 3.16Å
143	H	94.5	Very high	93.7	Very high	150 Å²	150	97.4 Å²	97.4	69%	0.694	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.2	-172.6	-56	-53.1	0	0	0	114.4	S140 N141	S140-H143 PolarHBondContact O-CE1 3.12Å; S140-H143 PolarHBondContact O-ND1 3.06Å; N141-H143 VanDerWaalsContact C-N 3.27Å; N141-H143 PolarHBondContact O-CD2 3.11Å; N141-H143 PolarHBondContact O-N 3.08Å
144	Q	96	Very high	93.4	Very high	93 Å²	93	101.7 Å²	101.7	44%	0.435	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.9	178.1	-61.5	-63	-42.1	0	0	113.2	T121 L123 K124 L142 Q146	T121-Q144 WeakPolarHBondContact O-CG 3.14Å; L123-Q144 CarbonylContact O-C 3.59Å; K124-Q144 WeakPolarHBondContact CA-O 3.5Å; K124-Q144 HydrophobicContact CG-CB 4.22Å; L142-Q144 PolarHBondContact O-N 2.98Å; Q144-Q146 PolarHBondContact O-N 2.78Å
145	L	93.9	Very high	93.4	Very high	60 Å²	60	97.2 Å²	97.2	31%	0.314	49%	0.487	S	S	.	.			trans	-68.2	128.6	-175.7	-157.5	72.5	0	0	0	110.5	L123 L126 L142	L123-L145 HydrophobicContact CD2-CD1 4.28Å; L123-L145 HydrophobicContact CG-CD1 4.33Å; L123-L145 PolarHBondContact O-N 2.72Å; L126-L145 HydrophobicContact CB-CD1 3.74Å; L126-L145 HydrophobicContact CB-CD2 4.48Å; L142-L145 HydrophobicContact CB-CB 4.07Å; L142-L145 HydrophobicContact CB-CD2 4.43Å; L142-L145 HydrophobicContact CD1-CD2 4.26Å; L142-L145 VanDerWaalsContact O-CB 3.29Å; L142-L145 WeakPolarHBondContact O-CB 3.3Å; L142-L145 PolarHBondContact O-N 3.16Å; L142-L145 VanDerWaalsContact O-N 3.16Å
146	Q	84.1	Confident	93.1	Very high	222 Å²	222	94.3 Å²	94.3	100%	1.037	48%	0.48	S	S	*	.			trans	-107.7	0	-175.6	-64	-175.1	-8.3	0	0	113.1	K124 Q144	K124-Q146 PolarHBondContact O-N 2.75Å; Q144-Q146 PolarHBondContact O-N 2.78Å

Retrieved 146 of 146 residues in 249.1 ms (Link to these results)

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