A0A096MQL7_PAPAN Loading...

Thioredoxin domain-containing protein 12

Protein-disulfide reductase of the endoplasmic reticulum that promotes disulfide bond formation in client proteins through its thiol-disulfide oxidase activity.

AlphaFold DB , UniProt , Accession A0A096MQL7, Species PAPAN (Papio anubis, Olive baboon), Gene TXNDC12, Length 172 aa.

Structure Viewer

Loading PAE data...

(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	41.5	Very low	46	Very low	222 Å²	222	152.9 Å²	152.9	100%	1.094	83%	0.834	S	S	*	*				0	86.2	0	-65.5	176.6	173.9	0	0	109.9
2	E	39.7	Very low	46.6	Very low	153 Å²	153	153.4 Å²	153.4	72%	0.715	83%	0.834	S	S	*	*			cis	-168.3	-176.9	-11.5	-124.4	55.6	90.7	0	0	107.8
3	T	36.1	Very low	47.3	Very low	112 Å²	112	152.8 Å²	152.8	69%	0.687	83%	0.828	S	S	*	*			cis	-154.7	143.2	17.1	-11.8	0	0	0	0	114.1
4	R	46.5	Very low	47.8	Very low	235 Å²	235	147.1 Å²	147.1	89%	0.887	82%	0.823	S	S	*	*			trans	74.8	159.4	146.6	-81.1	175.7	-175	-157.1	1.3	121.9
5	P	58.7	Low	48.6	Very low	114 Å²	114	149.5 Å²	149.5	74%	0.74	82%	0.822	S	S	*	*			trans	-117.5	169.2	-162.4	43.1	-31.9	0	0	0	115.1
6	R	44.5	Very low	49.2	Very low	245 Å²	245	146.9 Å²	146.9	93%	0.925	82%	0.818	S	S	*	*			trans	-145.1	110.2	153.3	-67	-167.7	174.1	176.1	-2.2	108.4
7	L	50.1	Low	49.6	Very low	181 Å²	181	148.7 Å²	148.7	95%	0.948	82%	0.815	S	S	*	*				69.1	94.3	84	-162.2	77.6	0	0	0	112
8	G	43.1	Very low	50	Low	76 Å²	76	148.4 Å²	148.4	78%	0.784	81%	0.811	S	S	*	*			trans	-134.7	121.4	176.1	0	0	0	0	0	110.1
9	A	52.8	Low	50.2	Low	101 Å²	101	147.3 Å²	147.3	84%	0.835	80%	0.804	S	S	*	*			trans	-46.8	134.1	-164.8	0	0	0	0	0	116.7	C11	A9-C11 PolarHBondContact O-N 3.03Å; A9-C11 VanDerWaalsContact O-N 3.09Å
10	T	49.2	Very low	50.3	Low	130 Å²	130	146.8 Å²	146.8	80%	0.798	80%	0.8	S	S	*	*			trans	-62.1	105.3	159.5	42.6	0	0	0	0	109.8	L12	T10-L12 PolarHBondContact O-N 3.35Å; T10-L12 VanDerWaalsContact O-N 3.07Å
11	C	44	Very low	50.5	Low	113 Å²	113	145 Å²	145	76%	0.764	79%	0.793	S	S	*	*			trans	-72.3	99.6	170.7	-164.6	0	0	0	0	108.6	A9 L13	A9-C11 PolarHBondContact O-N 3.03Å; A9-C11 VanDerWaalsContact O-N 3.09Å; C11-L13 PolarHBondContact O-N 3.22Å
12	L	53.2	Low	51.3	Low	159 Å²	159	141.5 Å²	141.5	83%	0.832	78%	0.777	S	S	*	*			trans	-64	106.6	173.9	-75.3	165.2	0	0	0	108.6	T10 G14	T10-L12 PolarHBondContact O-N 3.35Å; T10-L12 VanDerWaalsContact O-N 3.07Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.46Å
13	L	55.4	Low	51.8	Low	145 Å²	145	138.3 Å²	138.3	76%	0.759	77%	0.772	S	S	*	*			trans	-66.5	90.6	168.4	-71.9	171.9	0	0	0	108.2	C11 F15	C11-L13 PolarHBondContact O-N 3.22Å; L13-F15 HydrophobicContact CB-CD2 4.49Å; L13-F15 PolarHBondContact O-N 2.97Å
14	G	54.9	Low	52.6	Low	73 Å²	73	138.4 Å²	138.4	75%	0.753	78%	0.777	S	S	*	*			trans	-65.7	84.7	171.1	0	0	0	0	0	109.8	L12 S16	L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.46Å; G14-S16 PolarHBondContact O-N 3.18Å
15	F	58.7	Low	52.7	Low	184 Å²	184	132.9 Å²	132.9	81%	0.807	77%	0.765	S	S	*	*			trans	-61.5	93.3	161.3	-89.5	-89.2	0	0	0	107.4	L13 F17	L13-F15 HydrophobicContact CB-CD2 4.49Å; L13-F15 PolarHBondContact O-N 2.97Å; F15-F17 PolarHBondContact O-N 3.21Å
16	S	58.7	Low	52	Low	108 Å²	108	131 Å²	131	76%	0.755	77%	0.767	S	S	*	*			trans	-64.2	89.9	164.8	-173.9	0	0	0	0	106.6	G14 L18	G14-S16 PolarHBondContact O-N 3.18Å; S16-L18 PolarHBondContact O-N 3.07Å
17	F	56.6	Low	52	Low	177 Å²	177	126.9 Å²	126.9	78%	0.776	76%	0.758	S	S	*	*			trans	-68.6	88.9	171.8	-156	-92.2	0	0	0	105.8	F15 L19	F15-F17 PolarHBondContact O-N 3.21Å; F17-L19 HydrophobicContact CD1-CD1 4.1Å; F17-L19 HydrophobicContact CE1-CD1 4.26Å; F17-L19 PolarHBondContact O-N 3.43Å
18	L	57.2	Low	52.4	Low	143 Å²	143	125 Å²	125	75%	0.749	75%	0.748	S	S	*	*			trans	-63.4	93.1	176.5	-173.5	73	0	0	0	106.5	S16 L20	S16-L18 PolarHBondContact O-N 3.07Å; L18-L20 PolarHBondContact O-N 3.42Å
19	L	53.8	Low	54.2	Low	127 Å²	127	123 Å²	123	67%	0.665	73%	0.728	S	S	*	*			trans	-66.8	91.9	178.7	-156.9	83.2	0	0	0	106.3	F17 V21	F17-L19 HydrophobicContact CD1-CD1 4.1Å; F17-L19 HydrophobicContact CE1-CD1 4.26Å; F17-L19 PolarHBondContact O-N 3.43Å; L19-V21 PolarHBondContact O-N 2.85Å
20	L	51.7	Low	56	Low	138 Å²	138	121.7 Å²	121.7	72%	0.723	71%	0.706	S	S	*	*			trans	-65.8	94.4	173.3	-165.1	92.8	0	0	0	106	L18 I22	L18-L20 PolarHBondContact O-N 3.42Å; L20-I22 WeakPolarHBondContact O-CG1 3.48Å; L20-I22 PolarHBondContact O-N 3.32Å
21	V	54.3	Low	57.9	Low	110 Å²	110	115.5 Å²	115.5	67%	0.667	67%	0.669	S	S	*	*			trans	-67.4	90.9	171.9	-178.8	0	0	0	0	106	L19 S23	L19-V21 PolarHBondContact O-N 2.85Å; V21-S23 PolarHBondContact O-N 3.24Å
22	I	58.8	Low	60.3	Low	148 Å²	148	111.8 Å²	111.8	76%	0.759	64%	0.64	S	S	*	*			trans	-68	89.5	164.5	-5.6	174.9	0	0	0	105.3	L20 S24	L20-I22 WeakPolarHBondContact O-CG1 3.48Å; L20-I22 PolarHBondContact O-N 3.32Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 2.62Å
23	S	50.1	Low	62.2	Low	85 Å²	85	106.1 Å²	106.1	59%	0.594	62%	0.619	S	S	*	*			trans	-59.7	100.9	163.1	-63.9	0	0	0	0	106.4	V21 D25	V21-S23 PolarHBondContact O-N 3.24Å; S23-D25 PolarHBondContact O-N 3.09Å
24	S	52.3	Low	64.2	Low	114 Å²	114	99.2 Å²	99.2	80%	0.797	58%	0.583	S	S	*	*			trans	-69.4	83.9	160.7	60.3	0	0	0	0	106.3	I22 G26	I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 2.62Å; S24-G26 PolarHBondContact O-N 3.03Å; S24-G26 VanDerWaalsContact O-N 3.09Å
25	D	48.8	Very low	66.1	Low	120 Å²	120	96 Å²	96	64%	0.642	55%	0.55	S	S	*	*			trans	-52.9	121.3	165.9	-84.4	-37.8	0	0	0	107	S23 H27	S23-D25 PolarHBondContact O-N 3.09Å; D25-H27 PolarHBondContact O-N 2.89Å
26	G	43.1	Very low	67.7	Low	75 Å²	75	93.2 Å²	93.2	77%	0.773	54%	0.544	S	S	*	.			trans	-71.3	47.1	175.9	0	0	0	0	0	111.8	S24 N28	S24-G26 PolarHBondContact O-N 3.03Å; S24-G26 VanDerWaalsContact O-N 3.09Å; G26-N28 VanDerWaalsContact C-N 3.26Å; G26-N28 PolarHBondContact O-N 3.26Å
27	H	45.3	Very low	69.4	Low	158 Å²	158	93 Å²	93	73%	0.731	53%	0.531	S	S	*	.			trans	-64.8	93.1	164	-80.2	124.3	0	0	0	107.5	D25 G29	D25-H27 PolarHBondContact O-N 2.89Å; H27-G29 PolarHBondContact O-N 3.04Å
28	N	59	Low	71.3	Confident	141 Å²	141	85 Å²	85	75%	0.754	50%	0.496	S	S	*	.			trans	-51.4	108.6	155.2	-73.6	-29.5	0	0	0	106.4	G26	G26-N28 VanDerWaalsContact C-N 3.26Å; G26-N28 PolarHBondContact O-N 3.26Å
29	G	79.9	Confident	73.2	Confident	35 Å²	35	83.2 Å²	83.2	36%	0.361	48%	0.484	S	S	.	.			trans	-57.6	160.9	-176.9	0	0	0	0	0	111.3	H27 G31 K32	H27-G29 PolarHBondContact O-N 3.04Å; G29-G31 PolarHBondContact O-N 3.49Å; G29-K32 PolarHBondContact O-N 3.11Å
30	L	90.4	Very high	75.2	Confident	72 Å²	72	77.9 Å²	77.9	38%	0.377	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-16	179.5	-69	175.6	0	0	0	113.6	K32 W40 N93	L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.08Å; L30-W40 HydrophobicContact CB-CB 3.54Å; L30-W40 HydrophobicContact CB-CG 4.43Å; L30-N93 WeakPolarHBondContact O-CB 3.48Å; L30-N93 PolarHBondContact O-ND2 3.46Å
31	G	89.5	Confident	77.4	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.01	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-23	171.1	0	0	0	0	0	115.3	G29 G33 F34 N93	G29-G31 PolarHBondContact O-N 3.49Å; G31-G33 PolarHBondContact O-N 3.12Å; G31-F34 WeakPolarHBondContact O-CB 3.14Å; G31-F34 PolarHBondContact O-N 3.49Å; G31-N93 PolarHBondContact O-ND2 3.08Å
32	K	94.6	Very high	79.4	Confident	35 Å²	35	72.1 Å²	72.1	15%	0.152	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	27.6	176.9	-47.8	-65.4	-171.5	61.9	0	114.6	G29 L30 K73 E95 E98	G29-K32 PolarHBondContact O-N 3.11Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.08Å; K32-K73 WeakPolarHBondContact O-CD 3.36Å; K32-K73 WeakPolarHBondContact O-CE 3.34Å; K32-K73 PolarHBondContact O-NZ 2.89Å; K32-E95 WeakPolarHBondContact CD-OE2 3.08Å; K32-E95 HydrophobicContact CG-CB 4.46Å; K32-E95 WeakPolarHBondContact CG-OE2 3.27Å; K32-E95 IonicContact NZ-OE2 3.54Å; K32-E95 PolarHBondContact NZ-OE2 3.32Å; K32-E95 VanDerWaalsContact NZ-OE2 3.09Å; K32-E98 VanDerWaalsContact NZ-CD 3.34Å; K32-E98 IonicContact NZ-OE1 2.61Å; K32-E98 PolarHBondContact NZ-OE1 2.98Å; K32-E98 IonicContact NZ-OE2 2.64Å; K32-E98 PolarHBondContact NZ-OE2 2.89Å
33	G	93.8	Very high	81.2	Confident	39 Å²	39	66 Å²	66	40%	0.402	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	3.8	-175.3	0	0	0	0	0	117	G31 G35 K73	G31-G33 PolarHBondContact O-N 3.12Å; G33-G35 VanDerWaalsContact C-N 3.27Å; G33-K73 CarbonylContact O-C 3.24Å; G33-K73 WeakPolarHBondContact O-CB 3.34Å
34	F	95.9	Very high	83.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-86.5	11.8	169	-72.3	-90.2	0	0	0	113.2	G31 W40 I60 H62 L72 K73 F76 N93	G31-F34 WeakPolarHBondContact O-CB 3.14Å; G31-F34 PolarHBondContact O-N 3.49Å; F34-W40 HydrophobicContact CB-CH2 3.9Å; F34-W40 HydrophobicContact CB-CZ2 3.58Å; F34-I60 HydrophobicContact CD1-CD1 4.05Å; F34-I60 HydrophobicContact CE1-CD1 4.3Å; F34-I60 HydrophobicContact CE1-CG2 4.08Å; F34-I60 HydrophobicContact CE2-CG2 4.21Å; F34-I60 HydrophobicContact CG-CD1 4.41Å; F34-I60 HydrophobicContact CZ-CG2 3.79Å; F34-H62 AromaticContact CE2-CD2 3.82Å; F34-H62 AromaticContact CE2-CE1 3.83Å; F34-H62 AromaticContact CE2-CG 3.86Å; F34-H62 AromaticContact CE2-ND1 3.84Å; F34-H62 AromaticContact CE2-NE2 3.81Å; F34-L72 HydrophobicContact CE1-CD2 4.07Å; F34-L72 HydrophobicContact CE1-CG 4.14Å; F34-K73 HydrophobicContact CD1-CG 4.22Å; F34-K73 HydrophobicContact CD2-CD 4.33Å; F34-K73 HydrophobicContact CD2-CG 3.66Å; F34-K73 HydrophobicContact CE1-CG 4.05Å; F34-K73 HydrophobicContact CE2-CD 4.1Å; F34-K73 VanDerWaalsContact CE2-CE 3.48Å; F34-K73 HydrophobicContact CE2-CG 3.48Å; F34-K73 VanDerWaalsContact CE2-CG 3.48Å; F34-K73 HydrophobicContact CG-CG 4.05Å; F34-K73 HydrophobicContact CZ-CG 3.69Å; F34-F76 HydrophobicContact CB-CD1 4.04Å; F34-F76 HydrophobicContact CB-CE1 4.39Å; F34-F76 HydrophobicContact CD1-CB 3.8Å; F34-F76 HydrophobicContact CD1-CD1 4.04Å; F34-F76 AromaticContact CD1-CD2 3.95Å; F34-F76 HydrophobicContact CD1-CD2 3.95Å; F34-F76 AromaticContact CD1-CG 3.69Å; F34-F76 HydrophobicContact CD1-CG 3.69Å; F34-F76 HydrophobicContact CE1-CB 4.48Å; F34-F76 HydrophobicContact CE1-CD2 4.42Å; F34-F76 HydrophobicContact CE1-CG 4.49Å; F34-F76 VanDerWaalsContact O-CD1 3.26Å; F34-F76 WeakPolarHBondContact O-CD1 3.41Å; F34-N93 WeakPolarHBondContact CD2-ND2 3.38Å
35	G	94.9	Very high	85.5	Confident	6 Å²	6	65.7 Å²	65.7	6%	0.062	37%	0.365	C	S	.	.			trans	108.7	110.2	175.6	0	0	0	0	0	112.6	G33 H37 I38 W40	G33-G35 VanDerWaalsContact C-N 3.27Å; G35-H37 PolarHBondContact O-N 2.86Å; G35-I38 PolarHBondContact O-N 3.39Å; G35-W40 PolarHBondContact O-NE1 3.45Å
36	D	94.1	Very high	87.8	Confident	125 Å²	125	60 Å²	60	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.6	-176.4	-54.3	-47.2	0	0	0	113.6
37	H	94	Very high	90.4	Very high	105 Å²	105	59.4 Å²	59.4	49%	0.486	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.1	170.4	62.6	-88.8	0	0	0	112.6	G35 A77 S83	G35-H37 PolarHBondContact O-N 2.86Å; H37-A77 PolarHBondContact CE1-O 2.9Å; H37-A77 VanDerWaalsContact CE1-O 3.26Å; H37-S83 PolarHBondContact CD2-OG 2.69Å; H37-S83 VanDerWaalsContact CD2-OG 3.24Å
38	I	95.9	Very high	92.8	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.036	30%	0.301	C	S	.	.	S	Bend	trans	-83.1	141.9	174.9	-65	176.2	0	0	0	109.2	G35 W40 F76 I82 M91	G35-I38 PolarHBondContact O-N 3.39Å; I38-W40 HydrophobicContact CB-CZ2 3.98Å; I38-W40 HydrophobicContact CD1-CZ2 4.13Å; I38-W40 HydrophobicContact CG2-CD2 4.07Å; I38-W40 HydrophobicContact CG2-CH2 4.33Å; I38-W40 HydrophobicContact CG2-CZ2 3.74Å; I38-W40 PolarHBondContact O-N 2.79Å; I38-W40 PolarHBondContact O-NE1 2.88Å; I38-F76 HydrophobicContact CD1-CD1 4.25Å; I38-F76 HydrophobicContact CD1-CE1 3.72Å; I38-I82 HydrophobicContact CD1-CG2 4.28Å; I38-M91 HydrophobicContact CG2-CB 3.89Å; I38-M91 HydrophobicContact CG2-CE 4.02Å; I38-M91 HydrophobicContact CG2-CG 3.69Å
39	H	96.3	Very high	94.6	Very high	107 Å²	107	53.8 Å²	53.8	50%	0.495	28%	0.278	S	S	.	.			trans	-87.2	85.8	-175.5	-179.3	-115.1	0	0	0	111.4	R41 E49	H39-R41 PolarHBondContact CE1-NH1 3.5Å; H39-R41 VanDerWaalsContact CE1-NH1 3.27Å; H39-R41 PolarHBondContact CE1-NH2 3.28Å; H39-R41 VanDerWaalsContact NE2-CZ 3.27Å; H39-R41 PolarHBondContact NE2-NH1 3.06Å; H39-R41 PolarHBondContact NE2-NH2 3.42Å; H39-R41 VanDerWaalsContact NE2-NH2 3.16Å; H39-E49 IonicContact CE1-OE1 2.93Å; H39-E49 IonicContact ND1-OE1 2.97Å
40	W	97.5	Very high	95.3	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	147.4	-176.4	-59.3	97.4	0	0	0	113.8	L30 F34 G35 I38 I60 F76 M91 N93	L30-W40 HydrophobicContact CB-CB 3.54Å; L30-W40 HydrophobicContact CB-CG 4.43Å; F34-W40 HydrophobicContact CB-CH2 3.9Å; F34-W40 HydrophobicContact CB-CZ2 3.58Å; G35-W40 PolarHBondContact O-NE1 3.45Å; I38-W40 HydrophobicContact CB-CZ2 3.98Å; I38-W40 HydrophobicContact CD1-CZ2 4.13Å; I38-W40 HydrophobicContact CG2-CD2 4.07Å; I38-W40 HydrophobicContact CG2-CH2 4.33Å; I38-W40 HydrophobicContact CG2-CZ2 3.74Å; I38-W40 PolarHBondContact O-N 2.79Å; I38-W40 PolarHBondContact O-NE1 2.88Å; W40-I60 HydrophobicContact CH2-CD1 3.71Å; W40-I60 HydrophobicContact CZ3-CD1 4Å; W40-F76 AromaticContact CH2-CE1 3.86Å; W40-F76 HydrophobicContact CH2-CE1 3.86Å; W40-F76 HydrophobicContact CH2-CZ 4.13Å; W40-F76 HydrophobicContact CZ2-CE1 4.07Å; W40-M91 CarbonylContact C-O 3.51Å; W40-M91 WeakPolarHBondContact CA-O 3.29Å; W40-M91 HydrophobicContact CD2-CB 4.34Å; W40-M91 HydrophobicContact CE3-CB 3.76Å; W40-M91 HydrophobicContact CH2-CE 3.95Å; W40-M91 HydrophobicContact CZ3-CB 3.94Å; W40-M91 HydrophobicContact CZ3-CE 4.14Å; W40-N93 HydrophobicContact CD2-CB 4.23Å; W40-N93 HydrophobicContact CE3-CB 3.55Å; W40-N93 HydrophobicContact CZ3-CB 3.78Å
41	R	97.1	Very high	95.5	Very high	72 Å²	72	52.1 Å²	52.1	27%	0.272	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.8	177	-70.3	-59.7	-167	-119.5	4.4	112.6	H39 E49 V90 M91 V92	H39-R41 PolarHBondContact CE1-NH1 3.5Å; H39-R41 VanDerWaalsContact CE1-NH1 3.27Å; H39-R41 PolarHBondContact CE1-NH2 3.28Å; H39-R41 VanDerWaalsContact NE2-CZ 3.27Å; H39-R41 PolarHBondContact NE2-NH1 3.06Å; H39-R41 PolarHBondContact NE2-NH2 3.42Å; H39-R41 VanDerWaalsContact NE2-NH2 3.16Å; R41-E49 IonicContact CZ-OE2 3.26Å; R41-E49 IonicContact NE-OE1 3.09Å; R41-E49 IonicContact NE-OE2 2.68Å; R41-E49 PolarHBondContact NE-OE2 3.47Å; R41-E49 IonicContact NH2-OE1 2.9Å; R41-E49 IonicContact NH2-OE2 3.91Å; R41-E49 PolarHBondContact NH2-OE2 2.91Å; R41-V90 HydrophobicContact CB-CG1 4.29Å; R41-V90 HydrophobicContact CG-CG1 4.04Å; R41-M91 PolarHBondContact N-O 3.3Å; R41-V92 HydrophobicContact CB-CG2 4.34Å
42	T	97.3	Very high	95.6	Very high	54 Å²	54	56.4 Å²	56.4	33%	0.331	31%	0.307	S	S	.	.			trans	-66.6	159.5	160.7	69.5	0	0	0	0	109.1	E44 D45 G46	T42-E44 VanDerWaalsContact C-N 3.31Å; T42-E44 PolarHBondContact O-N 3.11Å; T42-D45 WeakPolarHBondContact OG1-CB 3.44Å; T42-D45 VanDerWaalsContact OG1-CG 3.28Å; T42-D45 PolarHBondContact OG1-N 3.3Å; T42-D45 VanDerWaalsContact OG1-N 3.08Å; T42-D45 PolarHBondContact OG1-OD2 2.65Å; T42-G46 WeakPolarHBondContact O-CA 3.49Å; T42-G46 PolarHBondContact O-N 2.88Å
43	L	96.4	Very high	95.6	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-41	176.6	-176.4	61.6	0	0	0	112.2	G46 K47 V59 V92 L94 P100 F105	L43-G46 PolarHBondContact O-N 3.19Å; L43-K47 HydrophobicContact CD1-CG 4.42Å; L43-K47 WeakPolarHBondContact O-CG 3.32Å; L43-K47 PolarHBondContact O-N 3.07Å; L43-V59 HydrophobicContact CD1-CG2 4.29Å; L43-V92 HydrophobicContact CB-CG1 4.18Å; L43-V92 HydrophobicContact CD1-CG1 4.26Å; L43-L94 HydrophobicContact CB-CD1 4.5Å; L43-L94 HydrophobicContact CB-CD2 4.21Å; L43-L94 HydrophobicContact CD2-CD1 4.3Å; L43-P100 HydrophobicContact CD2-CB 4.49Å; L43-P100 HydrophobicContact CD2-CG 3.57Å; L43-F105 HydrophobicContact CD1-CE1 4.3Å; L43-F105 HydrophobicContact CD1-CZ 4.25Å; L43-F105 HydrophobicContact CD2-CE1 4.28Å; L43-F105 HydrophobicContact CD2-CZ 3.9Å
44	E	95.8	Very high	95.6	Very high	118 Å²	118	57.3 Å²	57.3	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-67.5	-43.9	-177.8	-67.5	-57.2	121.5	0	0	112.7	T42 K48	T42-E44 VanDerWaalsContact C-N 3.31Å; T42-E44 PolarHBondContact O-N 3.11Å; E44-K48 VanDerWaalsContact O-CE 3.25Å; E44-K48 WeakPolarHBondContact O-CE 3.35Å; E44-K48 WeakPolarHBondContact O-CG 3.46Å; E44-K48 PolarHBondContact O-N 3.37Å
45	D	97	Very high	95.5	Very high	75 Å²	75	59.9 Å²	59.9	40%	0.401	33%	0.33	S	S	.	.	H	α-helix	trans	-77.9	-31.2	177.4	-56.5	-43.4	0	0	0	111.1	T42 K48 E49	T42-D45 WeakPolarHBondContact OG1-CB 3.44Å; T42-D45 VanDerWaalsContact OG1-CG 3.28Å; T42-D45 PolarHBondContact OG1-N 3.3Å; T42-D45 VanDerWaalsContact OG1-N 3.08Å; T42-D45 PolarHBondContact OG1-OD2 2.65Å; D45-K48 PolarHBondContact O-N 3.2Å; D45-K48 IonicContact OD1-NZ 3.96Å; D45-K48 PolarHBondContact OD1-NZ 3.45Å; D45-E49 WeakPolarHBondContact O-CB 3.37Å; D45-E49 PolarHBondContact O-N 3.33Å
46	G	96.8	Very high	95.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-45.8	173.4	0	0	0	0	0	112.3	T42 L43 K48 E49 A50	T42-G46 WeakPolarHBondContact O-CA 3.49Å; T42-G46 PolarHBondContact O-N 2.88Å; L43-G46 PolarHBondContact O-N 3.19Å; G46-K48 VanDerWaalsContact C-N 3.33Å; G46-K48 PolarHBondContact O-N 2.86Å; G46-E49 PolarHBondContact O-N 3.29Å; G46-A50 VanDerWaalsContact O-CB 3.27Å; G46-A50 WeakPolarHBondContact O-CB 3.26Å; G46-A50 PolarHBondContact O-N 2.91Å
47	K	96.4	Very high	95.9	Very high	63 Å²	63	53.6 Å²	53.6	27%	0.274	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-38	175.6	-77	-178	175	-173.2	0	112.6	L43 A51 L57	L43-K47 HydrophobicContact CD1-CG 4.42Å; L43-K47 WeakPolarHBondContact O-CG 3.32Å; L43-K47 PolarHBondContact O-N 3.07Å; K47-A51 WeakPolarHBondContact O-CB 3.24Å; K47-A51 PolarHBondContact O-N 2.89Å; K47-A51 VanDerWaalsContact O-N 3.11Å; K47-L57 HydrophobicContact CG-CD2 4.13Å
48	K	97.2	Very high	96.1	Very high	122 Å²	122	48.6 Å²	48.6	53%	0.53	27%	0.272	S	S	.	.	H	α-helix	trans	-68.2	-43.9	175.4	-62.8	164.9	-153.5	154.2	0	111.8	E44 D45 G46 A51 A52	E44-K48 VanDerWaalsContact O-CE 3.25Å; E44-K48 WeakPolarHBondContact O-CE 3.35Å; E44-K48 WeakPolarHBondContact O-CG 3.46Å; E44-K48 PolarHBondContact O-N 3.37Å; D45-K48 PolarHBondContact O-N 3.2Å; D45-K48 IonicContact OD1-NZ 3.96Å; D45-K48 PolarHBondContact OD1-NZ 3.45Å; G46-K48 VanDerWaalsContact C-N 3.33Å; G46-K48 PolarHBondContact O-N 2.86Å; K48-A51 PolarHBondContact O-N 3.27Å; K48-A52 WeakPolarHBondContact O-CB 3.25Å; K48-A52 PolarHBondContact O-N 2.83Å
49	E	95.5	Very high	96.2	Very high	58 Å²	58	48.3 Å²	48.3	27%	0.271	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-40.4	178.8	-172	166.1	131.2	0	0	111.1	H39 R41 D45 G46 A52 S53 V90	H39-E49 IonicContact CE1-OE1 2.93Å; H39-E49 IonicContact ND1-OE1 2.97Å; R41-E49 IonicContact CZ-OE2 3.26Å; R41-E49 IonicContact NE-OE1 3.09Å; R41-E49 IonicContact NE-OE2 2.68Å; R41-E49 PolarHBondContact NE-OE2 3.47Å; R41-E49 IonicContact NH2-OE1 2.9Å; R41-E49 IonicContact NH2-OE2 3.91Å; R41-E49 PolarHBondContact NH2-OE2 2.91Å; D45-E49 WeakPolarHBondContact O-CB 3.37Å; D45-E49 PolarHBondContact O-N 3.33Å; G46-E49 PolarHBondContact O-N 3.29Å; E49-A52 PolarHBondContact O-N 2.71Å; E49-S53 VanDerWaalsContact O-CB 3.24Å; E49-S53 WeakPolarHBondContact O-CB 3.44Å; E49-S53 PolarHBondContact O-N 3.17Å; E49-S53 PolarHBondContact O-OG 2.98Å; E49-V90 HydrophobicContact CB-CG1 4.27Å; E49-V90 HydrophobicContact CB-CG2 4.34Å; E49-V90 HydrophobicContact CG-CG2 4.15Å
50	A	95.1	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-50.5	174.8	0	0	0	0	0	112	G46 A52 S53 G54 L55 L57 V90 P120	G46-A50 VanDerWaalsContact O-CB 3.27Å; G46-A50 WeakPolarHBondContact O-CB 3.26Å; G46-A50 PolarHBondContact O-N 2.91Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 3.01Å; A50-S53 PolarHBondContact O-N 2.91Å; A50-S53 PolarHBondContact O-OG 3.25Å; A50-G54 WeakPolarHBondContact O-CA 3.48Å; A50-G54 PolarHBondContact O-N 3.32Å; A50-L55 WeakPolarHBondContact CA-O 3.24Å; A50-L55 VanDerWaalsContact CB-O 3.31Å; A50-L55 WeakPolarHBondContact CB-O 3.24Å; A50-L57 HydrophobicContact CB-CD1 3.5Å; A50-L57 HydrophobicContact CB-CD2 4.25Å; A50-L57 HydrophobicContact CB-CG 3.72Å; A50-V90 HydrophobicContact CB-CG2 4.05Å; A50-P120 CarbonylContact C-O 3.55Å
51	A	93.4	Very high	96.3	Very high	72 Å²	72	42.5 Å²	42.5	60%	0.595	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-32.8	178	0	0	0	0	0	113.2	K47 K48 P120	K47-A51 WeakPolarHBondContact O-CB 3.24Å; K47-A51 PolarHBondContact O-N 2.89Å; K47-A51 VanDerWaalsContact O-N 3.11Å; K48-A51 PolarHBondContact O-N 3.27Å; A51-P120 VanDerWaalsContact CA-O 3.26Å; A51-P120 WeakPolarHBondContact CA-O 3.41Å; A51-P120 PolarHBondContact N-O 2.66Å
52	A	93.6	Very high	96.3	Very high	92 Å²	92	39 Å²	39	76%	0.76	23%	0.231	S	C	*	.	H	α-helix	trans	-81.4	-33.2	178.6	0	0	0	0	0	113.8	K48 E49 A50	K48-A52 WeakPolarHBondContact O-CB 3.25Å; K48-A52 PolarHBondContact O-N 2.83Å; E49-A52 PolarHBondContact O-N 2.71Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 3.01Å
53	S	92.7	Very high	96.2	Very high	61 Å²	61	37.6 Å²	37.6	43%	0.427	22%	0.22	S	C	.	.	H	α-helix	trans	-93	-20.8	-177.3	61.3	0	0	0	0	113.9	E49 A50 L55	E49-S53 VanDerWaalsContact O-CB 3.24Å; E49-S53 WeakPolarHBondContact O-CB 3.44Å; E49-S53 PolarHBondContact O-N 3.17Å; E49-S53 PolarHBondContact O-OG 2.98Å; A50-S53 PolarHBondContact O-N 2.91Å; A50-S53 PolarHBondContact O-OG 3.25Å; S53-L55 WeakPolarHBondContact OG-CB 3.27Å; S53-L55 WeakPolarHBondContact OG-CG 3.31Å; S53-L55 PolarHBondContact OG-N 2.67Å
54	G	93.8	Very high	96	Very high	32 Å²	32	39 Å²	39	33%	0.33	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	10.5	-169.7	0	0	0	0	0	113.9	A50 P120	A50-G54 WeakPolarHBondContact O-CA 3.48Å; A50-G54 PolarHBondContact O-N 3.32Å; G54-P120 VanDerWaalsContact O-CG 3.25Å; G54-P120 WeakPolarHBondContact O-CG 3.46Å
55	L	95.4	Very high	95.8	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.277	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-85.8	140.2	178.4	-62	178.4	0	0	0	111.4	A50 S53 V90	A50-L55 WeakPolarHBondContact CA-O 3.24Å; A50-L55 VanDerWaalsContact CB-O 3.31Å; A50-L55 WeakPolarHBondContact CB-O 3.24Å; S53-L55 WeakPolarHBondContact OG-CB 3.27Å; S53-L55 WeakPolarHBondContact OG-CG 3.31Å; S53-L55 PolarHBondContact OG-N 2.67Å; L55-V90 HydrophobicContact CB-CG2 4.16Å
56	P	97.8	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.7	160	170.1	28	-34.2	0	0	0	111.7	F89 V90 L118 L158	P56-F89 HydrophobicContact CB-CD1 4.06Å; P56-F89 HydrophobicContact CB-CE1 4Å; P56-F89 HydrophobicContact CG-CD1 3.66Å; P56-F89 HydrophobicContact CG-CE1 3.55Å; P56-F89 HydrophobicContact CG-CG 4.48Å; P56-F89 HydrophobicContact CG-CZ 4.29Å; P56-F89 CarbonylContact O-C 3.56Å; P56-F89 VanDerWaalsContact O-CA 3.3Å; P56-F89 WeakPolarHBondContact O-CA 3.43Å; P56-V90 PolarHBondContact O-N 3.07Å; P56-L118 CarbonylContact C-O 3.59Å; P56-L118 WeakPolarHBondContact CA-O 3.4Å; P56-L118 WeakPolarHBondContact CB-O 3.1Å; P56-L158 HydrophobicContact CB-CB 3.84Å; P56-L158 HydrophobicContact CB-CD1 3.88Å; P56-L158 HydrophobicContact CG-CB 4.38Å
57	L	98.4	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	147	172.2	-46.7	86.5	0	0	0	111.3	K47 A50 V59 V90 V92 F117 L118 D119	K47-L57 HydrophobicContact CG-CD2 4.13Å; A50-L57 HydrophobicContact CB-CD1 3.5Å; A50-L57 HydrophobicContact CB-CD2 4.25Å; A50-L57 HydrophobicContact CB-CG 3.72Å; L57-V59 HydrophobicContact CB-CG2 4.43Å; L57-V90 WeakPolarHBondContact CA-O 3.44Å; L57-V90 HydrophobicContact CG-CB 4.2Å; L57-V92 HydrophobicContact CD2-CG2 4.21Å; L57-F117 WeakPolarHBondContact O-CA 3.5Å; L57-L118 HydrophobicContact CB-CB 4.1Å; L57-L118 HydrophobicContact CD1-CB 3.74Å; L57-L118 HydrophobicContact CD1-CD2 4.37Å; L57-L118 HydrophobicContact CG-CB 4.49Å; L57-L118 PolarHBondContact N-O 3.43Å; L57-L118 PolarHBondContact O-N 2.91Å; L57-D119 VanDerWaalsContact CD1-O 3.24Å; L57-D119 WeakPolarHBondContact CD1-O 3.46Å
58	M	98.4	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115	165.7	-179.5	-176.3	-178	0	0	108.3	F76 F89 V90 M91 V92 I115 F117 V147 M151	M58-F76 HydrophobicContact CE-CE2 3.68Å; M58-F76 HydrophobicContact CE-CZ 3.85Å; M58-F76 HydrophobicContact SD-CZ 4.45Å; M58-F89 HydrophobicContact CB-CB 4.29Å; M58-F89 HydrophobicContact CB-CD1 4.04Å; M58-F89 HydrophobicContact CB-CG 4.29Å; M58-V90 PolarHBondContact N-O 3.23Å; M58-M91 HydrophobicContact CB-SD 3.92Å; M58-M91 HydrophobicContact CG-SD 4.43Å; M58-M91 HydrophobicContact SD-CE 3.62Å; M58-M91 HydrophobicContact SD-SD 3.89Å; M58-V92 PolarHBondContact O-N 3.4Å; M58-I115 HydrophobicContact CE-CD1 4.15Å; M58-I115 HydrophobicContact CE-CG2 3.57Å; M58-I115 HydrophobicContact CG-CG2 4.06Å; M58-F117 HydrophobicContact CB-CD1 4.15Å; M58-F117 HydrophobicContact CB-CE1 4.02Å; M58-F117 HydrophobicContact CE-CE1 4.44Å; M58-F117 HydrophobicContact CE-CZ 4.42Å; M58-F117 HydrophobicContact CG-CD1 4.15Å; M58-F117 HydrophobicContact CG-CE1 3.64Å; M58-F117 HydrophobicContact CG-CZ 4.36Å; M58-F117 HydrophobicContact SD-CE1 4.06Å; M58-V147 HydrophobicContact CE-CG1 3.48Å; M58-V147 VanDerWaalsContact CE-CG1 3.48Å; M58-M151 HydrophobicContact CE-CG 3.94Å; M58-M151 HydrophobicContact CE-SD 4.02Å; M58-M151 HydrophobicContact SD-CE 3.7Å; M58-M151 HydrophobicContact SD-CG 3.73Å; M58-M151 HydrophobicContact SD-SD 3.81Å
59	V	98.5	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	-176.4	-177.9	0	0	0	0	109.6	L43 L57 I61 V92 L94 F105 I115 L116 L118	L43-V59 HydrophobicContact CD1-CG2 4.29Å; L57-V59 HydrophobicContact CB-CG2 4.43Å; V59-I61 HydrophobicContact CG1-CG1 4.14Å; V59-V92 WeakPolarHBondContact CA-O 3.32Å; V59-V92 HydrophobicContact CG1-CG1 4.34Å; V59-V92 HydrophobicContact CG2-CB 4.11Å; V59-V92 HydrophobicContact CG2-CG1 4.43Å; V59-L94 HydrophobicContact CG1-CD1 3.66Å; V59-L94 HydrophobicContact CG1-CG 4.23Å; V59-F105 HydrophobicContact CG1-CD1 4.45Å; V59-F105 HydrophobicContact CG1-CE1 4.28Å; V59-F105 HydrophobicContact CG2-CE1 4.49Å; V59-I115 WeakPolarHBondContact O-CA 3.35Å; V59-L116 PolarHBondContact N-O 3.4Å; V59-L116 PolarHBondContact O-N 3.3Å; V59-L118 HydrophobicContact CB-CD1 4.3Å; V59-L118 HydrophobicContact CG2-CD1 3.66Å; V59-L118 HydrophobicContact CG2-CD2 4.09Å
60	I	98	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.6	174.5	-51.7	-178.5	0	0	0	109	F34 W40 F76 V92 L94 I115	F34-I60 HydrophobicContact CD1-CD1 4.05Å; F34-I60 HydrophobicContact CE1-CD1 4.3Å; F34-I60 HydrophobicContact CE1-CG2 4.08Å; F34-I60 HydrophobicContact CE2-CG2 4.21Å; F34-I60 HydrophobicContact CG-CD1 4.41Å; F34-I60 HydrophobicContact CZ-CG2 3.79Å; W40-I60 HydrophobicContact CH2-CD1 3.71Å; W40-I60 HydrophobicContact CZ3-CD1 4Å; I60-F76 HydrophobicContact CD1-CD2 4.28Å; I60-F76 HydrophobicContact CD1-CE1 4.26Å; I60-F76 HydrophobicContact CD1-CE2 3.5Å; I60-F76 VanDerWaalsContact CD1-CE2 3.5Å; I60-F76 HydrophobicContact CD1-CZ 3.5Å; I60-F76 VanDerWaalsContact CD1-CZ 3.5Å; I60-V92 PolarHBondContact N-O 3.03Å; I60-L94 PolarHBondContact O-N 3.18Å; I60-I115 HydrophobicContact CG1-CG1 4.25Å; I60-I115 HydrophobicContact CG2-CG1 4.36Å
61	I	97.9	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.9	175.3	-56.4	174.9	0	0	0	108.6	V59 L94 E99 F105 P113 R114 L116	V59-I61 HydrophobicContact CG1-CG1 4.14Å; I61-L94 WeakPolarHBondContact CA-O 3.44Å; I61-L94 HydrophobicContact CG1-CD1 4.48Å; I61-E99 HydrophobicContact CG2-CB 4.17Å; I61-E99 HydrophobicContact CG2-CG 3.78Å; I61-F105 HydrophobicContact CD1-CB 3.92Å; I61-F105 HydrophobicContact CD1-CD1 4.09Å; I61-F105 HydrophobicContact CD1-CG 4.47Å; I61-P113 CarbonylContact O-C 3.54Å; I61-P113 WeakPolarHBondContact O-CA 3.11Å; I61-P113 WeakPolarHBondContact O-CB 3.25Å; I61-R114 HydrophobicContact CB-CB 4.48Å; I61-R114 PolarHBondContact N-O 3.31Å; I61-R114 PolarHBondContact O-N 3.16Å; I61-L116 HydrophobicContact CD1-CD1 4.33Å
62	H	96.8	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	176.2	179.7	69.9	111.1	0	0	0	111.5	F34 C69 K73 N93 L94 E95 D96 P113	F34-H62 AromaticContact CE2-CD2 3.82Å; F34-H62 AromaticContact CE2-CE1 3.83Å; F34-H62 AromaticContact CE2-CG 3.86Å; F34-H62 AromaticContact CE2-ND1 3.84Å; F34-H62 AromaticContact CE2-NE2 3.81Å; H62-C69 HydrophobicContact CB-CB 3.94Å; H62-K73 VanDerWaalsContact CE1-CE 3.46Å; H62-K73 WeakPolarHBondContact CE1-CE 3.4Å; H62-K73 PolarHBondContact CE1-NZ 3.32Å; H62-K73 WeakPolarHBondContact ND1-CE 3.4Å; H62-N93 PolarHBondContact CD2-OD1 2.89Å; H62-N93 PolarHBondContact NE2-OD1 3.11Å; H62-L94 PolarHBondContact CD2-O 2.63Å; H62-L94 VanDerWaalsContact CD2-O 3.31Å; H62-L94 PolarHBondContact N-O 3.02Å; H62-E95 VanDerWaalsContact CE1-CD 3.49Å; H62-E95 VanDerWaalsContact CE1-CG 3.45Å; H62-E95 WeakPolarHBondContact CE1-CG 3.46Å; H62-E95 IonicContact CE1-OE1 3.14Å; H62-E95 PolarHBondContact CE1-OE1 2.99Å; H62-E95 IonicContact ND1-OE1 3.78Å; H62-E95 WeakPolarHBondContact O-CA 3.42Å; H62-D96 PolarHBondContact O-N 3.23Å; H62-P113 HydrophobicContact CB-CB 4.07Å
63	K	94.4	Very high	95.2	Very high	24 Å²	24	33.2 Å²	33.2	10%	0.104	20%	0.2	C	C	.	.			trans	-130.8	146.6	175.5	-52.8	-69.8	175.6	175.1	0	111.1	W65 C66 D96 E99 I112	K63-W65 HydrophobicContact CB-CD2 3.86Å; K63-W65 HydrophobicContact CB-CE3 4.18Å; K63-W65 HydrophobicContact CB-CG 4.45Å; K63-W65 HydrophobicContact CB-CH2 4.05Å; K63-W65 HydrophobicContact CB-CZ2 3.71Å; K63-W65 HydrophobicContact CB-CZ3 4.26Å; K63-W65 HydrophobicContact CD-CH2 3.84Å; K63-W65 HydrophobicContact CD-CZ2 3.79Å; K63-W65 HydrophobicContact CG-CH2 4.16Å; K63-W65 HydrophobicContact CG-CZ2 3.69Å; K63-W65 PolarHBondContact O-N 3.17Å; K63-C66 HydrophobicContact CB-CB 4.26Å; K63-C66 VanDerWaalsContact O-CB 3.28Å; K63-C66 WeakPolarHBondContact O-CB 3.47Å; K63-C66 PolarHBondContact O-N 2.63Å; K63-C66 VanDerWaalsContact O-N 3.08Å; K63-D96 WeakPolarHBondContact CA-OD1 3.34Å; K63-D96 WeakPolarHBondContact CB-OD1 3.21Å; K63-D96 PolarHBondContact NZ-O 3.2Å; K63-E99 WeakPolarHBondContact CE-OE2 3.32Å; K63-E99 IonicContact NZ-OE2 3.04Å; K63-E99 PolarHBondContact NZ-OE2 2.99Å; K63-I112 HydrophobicContact CB-CD1 3.73Å; K63-I112 HydrophobicContact CG-CD1 3.3Å; K63-I112 HydrophobicContact CG-CG2 4.31Å
64	S	92.5	Very high	95.4	Very high	49 Å²	49	32.9 Å²	32.9	34%	0.343	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.6	-176.8	63	0	0	0	0	113.7	K70 D96	S64-K70 WeakPolarHBondContact O-CE 3.35Å; S64-K70 PolarHBondContact O-NZ 2.98Å; S64-D96 VanDerWaalsContact CB-OD2 3.22Å; S64-D96 WeakPolarHBondContact CB-OD2 3.37Å; S64-D96 PolarHBondContact N-OD1 3.42Å; S64-D96 PolarHBondContact OG-OD1 3.44Å; S64-D96 PolarHBondContact OG-OD2 3.45Å
65	W	91.6	Very high	95.6	Very high	164 Å²	164	36 Å²	36	62%	0.621	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.2	175.2	55.3	92.4	0	0	0	114.6	K63 G67 D96	K63-W65 HydrophobicContact CB-CD2 3.86Å; K63-W65 HydrophobicContact CB-CE3 4.18Å; K63-W65 HydrophobicContact CB-CG 4.45Å; K63-W65 HydrophobicContact CB-CH2 4.05Å; K63-W65 HydrophobicContact CB-CZ2 3.71Å; K63-W65 HydrophobicContact CB-CZ3 4.26Å; K63-W65 HydrophobicContact CD-CH2 3.84Å; K63-W65 HydrophobicContact CD-CZ2 3.79Å; K63-W65 HydrophobicContact CG-CH2 4.16Å; K63-W65 HydrophobicContact CG-CZ2 3.69Å; K63-W65 PolarHBondContact O-N 3.17Å; W65-G67 PolarHBondContact O-N 3.04Å; W65-D96 HydrophobicContact CH2-CB 4.47Å; W65-D96 HydrophobicContact CZ3-CB 4.21Å; W65-D96 VanDerWaalsContact CZ3-CG 3.41Å; W65-D96 WeakPolarHBondContact CZ3-OD1 3.45Å
66	C	92.2	Very high	95.7	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.081	19%	0.188	C	C	.	.			trans	-70.7	122.9	-170.8	162.8	0	0	0	0	113.6	K63 C69 K70 I112	K63-C66 HydrophobicContact CB-CB 4.26Å; K63-C66 VanDerWaalsContact O-CB 3.28Å; K63-C66 WeakPolarHBondContact O-CB 3.47Å; K63-C66 PolarHBondContact O-N 2.63Å; K63-C66 VanDerWaalsContact O-N 3.08Å; C66-C69 HydrophobicContact CB-CB 3.63Å; C66-C69 WeakPolarHBondContact CB-SG 3.38Å; C66-C69 PolarHBondContact O-N 2.82Å; C66-C69 WeakPolarHBondContact SG-CB 3.33Å; C66-C69 PolarHBondContact SG-N 3.47Å; C66-C69 CovalentContact SG-SG 2.04Å; C66-C69 PolarHBondContact SG-SG 3.02Å; C66-K70 WeakPolarHBondContact O-CG 3.23Å; C66-K70 PolarHBondContact O-N 2.94Å; C66-K70 VanDerWaalsContact O-N 3.12Å; C66-I112 HydrophobicContact CB-CD1 3.73Å; C66-I112 HydrophobicContact CB-CG1 4.31Å
67	G	93.8	Very high	95.7	Very high	55 Å²	55	34.8 Å²	34.8	57%	0.567	20%	0.198	S	C	*	.	H	α-helix	trans	-66.6	-44	-179.6	0	0	0	0	0	114	W65 C69 K70 A71	W65-G67 PolarHBondContact O-N 3.04Å; G67-C69 VanDerWaalsContact C-N 3.31Å; G67-C69 PolarHBondContact O-N 2.78Å; G67-K70 PolarHBondContact O-N 2.97Å; G67-A71 PolarHBondContact O-N 2.82Å; G67-A71 VanDerWaalsContact O-N 3.08Å
68	A	93.4	Very high	95.6	Very high	40 Å²	40	42.3 Å²	42.3	33%	0.331	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-40.8	176.5	0	0	0	0	0	111.7	K70 A71 L72 F140	A68-K70 PolarHBondContact O-N 3.12Å; A68-A71 PolarHBondContact O-N 3.08Å; A68-A71 VanDerWaalsContact O-N 3.13Å; A68-L72 PolarHBondContact O-N 3.42Å; A68-F140 HydrophobicContact CB-CE2 3.98Å; A68-F140 HydrophobicContact CB-CZ 3.92Å
69	C	93.3	Very high	95.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-45.4	177.1	-49.2	0	0	0	0	111.3	H62 C66 G67 A71 L72 K73 P113	H62-C69 HydrophobicContact CB-CB 3.94Å; C66-C69 HydrophobicContact CB-CB 3.63Å; C66-C69 WeakPolarHBondContact CB-SG 3.38Å; C66-C69 PolarHBondContact O-N 2.82Å; C66-C69 WeakPolarHBondContact SG-CB 3.33Å; C66-C69 PolarHBondContact SG-N 3.47Å; C66-C69 CovalentContact SG-SG 2.04Å; C66-C69 PolarHBondContact SG-SG 3.02Å; G67-C69 VanDerWaalsContact C-N 3.31Å; G67-C69 PolarHBondContact O-N 2.78Å; C69-A71 VanDerWaalsContact C-N 3.29Å; C69-A71 PolarHBondContact O-N 2.74Å; C69-L72 PolarHBondContact O-N 2.87Å; C69-K73 WeakPolarHBondContact O-CG 3.44Å; C69-K73 PolarHBondContact O-N 2.74Å; C69-P113 VanDerWaalsContact SG-CD 3.5Å
70	K	93.9	Very high	95.5	Very high	120 Å²	120	48 Å²	48	52%	0.522	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-32.8	173.8	-72.1	171	-178	168.5	0	113.3	S64 C66 G67 A68 P74	S64-K70 WeakPolarHBondContact O-CE 3.35Å; S64-K70 PolarHBondContact O-NZ 2.98Å; C66-K70 WeakPolarHBondContact O-CG 3.23Å; C66-K70 PolarHBondContact O-N 2.94Å; C66-K70 VanDerWaalsContact O-N 3.12Å; G67-K70 PolarHBondContact O-N 2.97Å; A68-K70 PolarHBondContact O-N 3.12Å; K70-P74 WeakPolarHBondContact O-CD 3.32Å
71	A	95.9	Very high	95.5	Very high	53 Å²	53	52 Å²	52	44%	0.438	29%	0.288	S	S	.	.	H	α-helix	trans	-78.2	-24.5	177	0	0	0	0	0	113.6	G67 A68 C69 K75	G67-A71 PolarHBondContact O-N 2.82Å; G67-A71 VanDerWaalsContact O-N 3.08Å; A68-A71 PolarHBondContact O-N 3.08Å; A68-A71 VanDerWaalsContact O-N 3.13Å; C69-A71 VanDerWaalsContact C-N 3.29Å; C69-A71 PolarHBondContact O-N 2.74Å; A71-K75 WeakPolarHBondContact O-CE 3.13Å
72	L	95.7	Very high	95.5	Very high	2 Å²	2	52 Å²	52	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-82.3	-42	176.6	-175.7	64.6	0	0	0	112.2	F34 A68 C69 K75 F76 P113 I115	F34-L72 HydrophobicContact CE1-CD2 4.07Å; F34-L72 HydrophobicContact CE1-CG 4.14Å; A68-L72 PolarHBondContact O-N 3.42Å; C69-L72 PolarHBondContact O-N 2.87Å; L72-K75 PolarHBondContact O-N 2.86Å; L72-K75 VanDerWaalsContact O-N 3.08Å; L72-F76 PolarHBondContact O-N 2.95Å; L72-P113 HydrophobicContact CD2-CG 4Å; L72-I115 HydrophobicContact CD2-CD1 4.45Å
73	K	95.4	Very high	95.5	Very high	31 Å²	31	53.1 Å²	53.1	14%	0.135	30%	0.296	C	S	.	.	H	α-helix	trans	-39.1	-58.6	-179.6	-84	177.9	-176.4	-163.2	0	114.3	K32 G33 F34 H62 C69 F76 A77 E95	K32-K73 WeakPolarHBondContact O-CD 3.36Å; K32-K73 WeakPolarHBondContact O-CE 3.34Å; K32-K73 PolarHBondContact O-NZ 2.89Å; G33-K73 CarbonylContact O-C 3.24Å; G33-K73 WeakPolarHBondContact O-CB 3.34Å; F34-K73 HydrophobicContact CD1-CG 4.22Å; F34-K73 HydrophobicContact CD2-CD 4.33Å; F34-K73 HydrophobicContact CD2-CG 3.66Å; F34-K73 HydrophobicContact CE1-CG 4.05Å; F34-K73 HydrophobicContact CE2-CD 4.1Å; F34-K73 VanDerWaalsContact CE2-CE 3.48Å; F34-K73 HydrophobicContact CE2-CG 3.48Å; F34-K73 VanDerWaalsContact CE2-CG 3.48Å; F34-K73 HydrophobicContact CG-CG 4.05Å; F34-K73 HydrophobicContact CZ-CG 3.69Å; H62-K73 VanDerWaalsContact CE1-CE 3.46Å; H62-K73 WeakPolarHBondContact CE1-CE 3.4Å; H62-K73 PolarHBondContact CE1-NZ 3.32Å; H62-K73 WeakPolarHBondContact ND1-CE 3.4Å; C69-K73 WeakPolarHBondContact O-CG 3.44Å; C69-K73 PolarHBondContact O-N 2.74Å; K73-F76 PolarHBondContact O-N 3.07Å; K73-A77 WeakPolarHBondContact O-CB 3.26Å; K73-A77 PolarHBondContact O-N 3.48Å; K73-E95 IonicContact NZ-OE1 3.09Å; K73-E95 PolarHBondContact NZ-OE1 2.79Å; K73-E95 VanDerWaalsContact NZ-OE1 3.09Å
74	P	97	Very high	95.6	Very high	55 Å²	55	58 Å²	58	36%	0.357	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-41.1	-178.9	26.2	-34.2	0	0	0	113	K70 F76 A77 E78	K70-P74 WeakPolarHBondContact O-CD 3.32Å; P74-F76 PolarHBondContact O-N 2.96Å; P74-A77 PolarHBondContact O-N 2.99Å; P74-E78 WeakPolarHBondContact O-CB 3.4Å; P74-E78 VanDerWaalsContact O-CG 3.3Å; P74-E78 WeakPolarHBondContact O-CG 3.44Å; P74-E78 PolarHBondContact O-N 3Å
75	K	97.1	Very high	95.9	Very high	98 Å²	98	56.5 Å²	56.5	43%	0.426	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-36.5	178.7	-55.9	-178.1	-170.6	-177.9	0	112.2	A71 L72 I142	A71-K75 WeakPolarHBondContact O-CE 3.13Å; L72-K75 PolarHBondContact O-N 2.86Å; L72-K75 VanDerWaalsContact O-N 3.08Å; K75-I142 PolarHBondContact NZ-O 2.88Å
76	F	97.8	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.2	-49.6	176	-165	-72	0	0	0	110.4	F34 I38 W40 M58 I60 L72 K73 P74 E78 S79 I82 M91 I115 V147	F34-F76 HydrophobicContact CB-CD1 4.04Å; F34-F76 HydrophobicContact CB-CE1 4.39Å; F34-F76 HydrophobicContact CD1-CB 3.8Å; F34-F76 HydrophobicContact CD1-CD1 4.04Å; F34-F76 AromaticContact CD1-CD2 3.95Å; F34-F76 HydrophobicContact CD1-CD2 3.95Å; F34-F76 AromaticContact CD1-CG 3.69Å; F34-F76 HydrophobicContact CD1-CG 3.69Å; F34-F76 HydrophobicContact CE1-CB 4.48Å; F34-F76 HydrophobicContact CE1-CD2 4.42Å; F34-F76 HydrophobicContact CE1-CG 4.49Å; F34-F76 VanDerWaalsContact O-CD1 3.26Å; F34-F76 WeakPolarHBondContact O-CD1 3.41Å; I38-F76 HydrophobicContact CD1-CD1 4.25Å; I38-F76 HydrophobicContact CD1-CE1 3.72Å; W40-F76 AromaticContact CH2-CE1 3.86Å; W40-F76 HydrophobicContact CH2-CE1 3.86Å; W40-F76 HydrophobicContact CH2-CZ 4.13Å; W40-F76 HydrophobicContact CZ2-CE1 4.07Å; M58-F76 HydrophobicContact CE-CE2 3.68Å; M58-F76 HydrophobicContact CE-CZ 3.85Å; M58-F76 HydrophobicContact SD-CZ 4.45Å; I60-F76 HydrophobicContact CD1-CD2 4.28Å; I60-F76 HydrophobicContact CD1-CE1 4.26Å; I60-F76 HydrophobicContact CD1-CE2 3.5Å; I60-F76 VanDerWaalsContact CD1-CE2 3.5Å; I60-F76 HydrophobicContact CD1-CZ 3.5Å; I60-F76 VanDerWaalsContact CD1-CZ 3.5Å; L72-F76 PolarHBondContact O-N 2.95Å; K73-F76 PolarHBondContact O-N 3.07Å; P74-F76 PolarHBondContact O-N 2.96Å; F76-E78 VanDerWaalsContact C-N 3.31Å; F76-E78 PolarHBondContact O-N 2.91Å; F76-S79 PolarHBondContact O-N 3.4Å; F76-I82 HydrophobicContact CD1-CG2 3.8Å; F76-I82 HydrophobicContact CD2-CD1 4.05Å; F76-I82 HydrophobicContact CD2-CG2 4.48Å; F76-I82 HydrophobicContact CE1-CG2 3.4Å; F76-I82 HydrophobicContact CE2-CD1 4.41Å; F76-I82 HydrophobicContact CE2-CG2 4.13Å; F76-I82 HydrophobicContact CG-CD1 4.15Å; F76-I82 HydrophobicContact CG-CG2 4.32Å; F76-I82 HydrophobicContact CZ-CG2 3.57Å; F76-M91 HydrophobicContact CE1-CE 4.26Å; F76-M91 HydrophobicContact CZ-CE 3.93Å; F76-I115 HydrophobicContact CE2-CD1 4.45Å; F76-V147 HydrophobicContact CD2-CG1 4.16Å; F76-V147 HydrophobicContact CD2-CG2 4.41Å; F76-V147 HydrophobicContact CE2-CG1 3.71Å
77	A	96.9	Very high	96.3	Very high	27 Å²	27	55.2 Å²	55.2	22%	0.223	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-25	-178.5	0	0	0	0	0	114.5	H37 K73 P74	H37-A77 PolarHBondContact CE1-O 2.9Å; H37-A77 VanDerWaalsContact CE1-O 3.26Å; K73-A77 WeakPolarHBondContact O-CB 3.26Å; K73-A77 PolarHBondContact O-N 3.48Å; P74-A77 PolarHBondContact O-N 2.99Å
78	E	96.8	Very high	96.4	Very high	158 Å²	158	55.4 Å²	55.4	74%	0.738	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.5	178.9	-69.9	169.3	-166.6	0	0	112.9	P74 F76 T80	P74-E78 WeakPolarHBondContact O-CB 3.4Å; P74-E78 VanDerWaalsContact O-CG 3.3Å; P74-E78 WeakPolarHBondContact O-CG 3.44Å; P74-E78 PolarHBondContact O-N 3Å; F76-E78 VanDerWaalsContact C-N 3.31Å; F76-E78 PolarHBondContact O-N 2.91Å; E78-T80 PolarHBondContact O-N 3.05Å
79	S	97.9	Very high	96.7	Very high	21 Å²	21	54 Å²	54	15%	0.147	28%	0.281	C	S	.	.			trans	-86.4	105.5	-177.1	-176.8	0	0	0	0	112.2	F76 E81 I82 S83	F76-S79 PolarHBondContact O-N 3.4Å; S79-E81 PolarHBondContact O-N 3.24Å; S79-I82 PolarHBondContact O-N 3.43Å; S79-I82 PolarHBondContact OG-N 2.9Å; S79-S83 PolarHBondContact O-N 3Å
80	T	97.1	Very high	96.9	Very high	97 Å²	97	54 Å²	54	60%	0.595	28%	0.281	S	S	*	.	H	α-helix	trans	-55.4	-38.3	172.1	-44.2	0	0	0	0	112.2	E78 I82 S83 E84	E78-T80 PolarHBondContact O-N 3.05Å; T80-I82 PolarHBondContact O-N 3.27Å; T80-S83 WeakPolarHBondContact O-CB 3.3Å; T80-S83 PolarHBondContact O-N 3.46Å; T80-E84 HydrophobicContact CG2-CG 4.47Å; T80-E84 WeakPolarHBondContact O-CG 3.24Å; T80-E84 PolarHBondContact O-N 2.88Å
81	E	97.8	Very high	97.1	Very high	84 Å²	84	48.3 Å²	48.3	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-68.3	-35.7	-179.1	-170.3	171.2	-160.5	0	0	112.1	S79 L85 V148 K152	S79-E81 PolarHBondContact O-N 3.24Å; E81-L85 HydrophobicContact CG-CD1 4.22Å; E81-L85 WeakPolarHBondContact O-CB 3.24Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.28Å; E81-L85 PolarHBondContact O-N 2.87Å; E81-V148 HydrophobicContact CB-CG2 4.11Å; E81-V148 VanDerWaalsContact CD-CG1 3.44Å; E81-V148 HydrophobicContact CG-CG1 3.98Å; E81-V148 HydrophobicContact CG-CG2 3.9Å; E81-K152 WeakPolarHBondContact OE1-CE 3.28Å; E81-K152 IonicContact OE1-NZ 2.92Å; E81-K152 PolarHBondContact OE1-NZ 3.04Å
82	I	98.1	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-42.5	170.7	-67	176	0	0	0	110.4	I38 F76 S79 T80 E84 L85 S86 A144 V147 V148 M151	I38-I82 HydrophobicContact CD1-CG2 4.28Å; F76-I82 HydrophobicContact CD1-CG2 3.8Å; F76-I82 HydrophobicContact CD2-CD1 4.05Å; F76-I82 HydrophobicContact CD2-CG2 4.48Å; F76-I82 HydrophobicContact CE1-CG2 3.4Å; F76-I82 HydrophobicContact CE2-CD1 4.41Å; F76-I82 HydrophobicContact CE2-CG2 4.13Å; F76-I82 HydrophobicContact CG-CD1 4.15Å; F76-I82 HydrophobicContact CG-CG2 4.32Å; F76-I82 HydrophobicContact CZ-CG2 3.57Å; S79-I82 PolarHBondContact O-N 3.43Å; S79-I82 PolarHBondContact OG-N 2.9Å; T80-I82 PolarHBondContact O-N 3.27Å; I82-E84 PolarHBondContact O-N 2.82Å; I82-L85 PolarHBondContact O-N 3.16Å; I82-S86 VanDerWaalsContact O-CB 3.28Å; I82-S86 WeakPolarHBondContact O-CB 3.17Å; I82-S86 PolarHBondContact O-N 2.68Å; I82-A144 HydrophobicContact CD1-CB 3.87Å; I82-V147 HydrophobicContact CD1-CB 3.94Å; I82-V147 HydrophobicContact CD1-CG1 3.83Å; I82-V147 HydrophobicContact CG1-CG1 4.3Å; I82-V148 HydrophobicContact CD1-CG2 4.44Å; I82-V148 HydrophobicContact CG1-CG2 3.65Å; I82-M151 HydrophobicContact CB-SD 4.46Å; I82-M151 HydrophobicContact CG1-SD 4.29Å; I82-M151 HydrophobicContact CG2-CE 4.47Å; I82-M151 HydrophobicContact CG2-SD 4.05Å
83	S	97.3	Very high	97.3	Very high	24 Å²	24	45.9 Å²	45.9	17%	0.168	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-47.4	174.9	-178.3	0	0	0	0	111.7	H37 S79 T80 S86	H37-S83 PolarHBondContact CD2-OG 2.69Å; H37-S83 VanDerWaalsContact CD2-OG 3.24Å; S79-S83 PolarHBondContact O-N 3Å; T80-S83 WeakPolarHBondContact O-CB 3.3Å; T80-S83 PolarHBondContact O-N 3.46Å; S83-S86 WeakPolarHBondContact O-CB 3.39Å; S83-S86 PolarHBondContact O-N 2.9Å; S83-S86 PolarHBondContact O-OG 2.85Å
84	E	97	Very high	97.4	Very high	126 Å²	126	44.8 Å²	44.8	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-63.2	-46.7	178.7	-74.2	174.3	-173.1	0	0	111.7	T80 I82 S86 H87	T80-E84 HydrophobicContact CG2-CG 4.47Å; T80-E84 WeakPolarHBondContact O-CG 3.24Å; T80-E84 PolarHBondContact O-N 2.88Å; I82-E84 PolarHBondContact O-N 2.82Å; E84-S86 VanDerWaalsContact C-N 3.28Å; E84-S86 PolarHBondContact O-N 2.83Å; E84-H87 PolarHBondContact O-N 2.92Å
85	L	97.3	Very high	97.4	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-33.7	177.2	-72.4	170.3	0	0	0	111.9	E81 I82 H87 N88 F89 V148 M151 K152	E81-L85 HydrophobicContact CG-CD1 4.22Å; E81-L85 WeakPolarHBondContact O-CB 3.24Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.28Å; E81-L85 PolarHBondContact O-N 2.87Å; I82-L85 PolarHBondContact O-N 3.16Å; L85-H87 PolarHBondContact O-N 3.16Å; L85-H87 VanDerWaalsContact O-N 3.09Å; L85-N88 WeakPolarHBondContact O-CB 3.49Å; L85-N88 PolarHBondContact O-N 3.23Å; L85-N88 PolarHBondContact O-ND2 3.07Å; L85-N88 VanDerWaalsContact O-ND2 3.07Å; L85-F89 WeakPolarHBondContact O-CD2 3.38Å; L85-V148 HydrophobicContact CD1-CB 4.45Å; L85-V148 HydrophobicContact CD1-CG1 4.07Å; L85-V148 HydrophobicContact CD1-CG2 4.37Å; L85-M151 HydrophobicContact CB-CB 4.48Å; L85-M151 HydrophobicContact CB-CE 3.55Å; L85-M151 HydrophobicContact CB-SD 4.14Å; L85-M151 HydrophobicContact CD1-CB 3.99Å; L85-M151 HydrophobicContact CD1-SD 4.41Å; L85-K152 HydrophobicContact CD1-CG 4.13Å; L85-K152 HydrophobicContact CD2-CG 4.32Å
86	S	97.1	Very high	97.3	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-24.2	-178	79.9	0	0	0	0	113.9	I82 S83 E84 N88 F89	I82-S86 VanDerWaalsContact O-CB 3.28Å; I82-S86 WeakPolarHBondContact O-CB 3.17Å; I82-S86 PolarHBondContact O-N 2.68Å; S83-S86 WeakPolarHBondContact O-CB 3.39Å; S83-S86 PolarHBondContact O-N 2.9Å; S83-S86 PolarHBondContact O-OG 2.85Å; E84-S86 VanDerWaalsContact C-N 3.28Å; E84-S86 PolarHBondContact O-N 2.83Å; S86-N88 PolarHBondContact O-N 2.91Å; S86-F89 PolarHBondContact O-N 3.45Å; S86-F89 VanDerWaalsContact O-N 3.16Å
87	H	96	Very high	97.1	Very high	142 Å²	142	48.9 Å²	48.9	66%	0.657	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.7	174	-63.7	-54.8	0	0	0	114	E84 L85	E84-H87 PolarHBondContact O-N 2.92Å; L85-H87 PolarHBondContact O-N 3.16Å; L85-H87 VanDerWaalsContact O-N 3.09Å
88	N	96.8	Very high	96.9	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	4.4	177.2	-50.8	-81	0	0	0	112.6	L85 S86 Q155	L85-N88 WeakPolarHBondContact O-CB 3.49Å; L85-N88 PolarHBondContact O-N 3.23Å; L85-N88 PolarHBondContact O-ND2 3.07Å; L85-N88 VanDerWaalsContact O-ND2 3.07Å; S86-N88 PolarHBondContact O-N 2.91Å; N88-Q155 HydrophobicContact CB-CG 4.45Å; N88-Q155 PolarHBondContact OD1-NE2 3.09Å
89	F	98.1	Very high	96.8	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.044	23%	0.232	C	C	.	.	S	Bend	trans	-132.5	151.9	-176.9	-71.1	-89.3	0	0	0	111.2	P56 M58 L85 S86 M91 F117 M151 A154 Q155	P56-F89 HydrophobicContact CB-CD1 4.06Å; P56-F89 HydrophobicContact CB-CE1 4Å; P56-F89 HydrophobicContact CG-CD1 3.66Å; P56-F89 HydrophobicContact CG-CE1 3.55Å; P56-F89 HydrophobicContact CG-CG 4.48Å; P56-F89 HydrophobicContact CG-CZ 4.29Å; P56-F89 CarbonylContact O-C 3.56Å; P56-F89 VanDerWaalsContact O-CA 3.3Å; P56-F89 WeakPolarHBondContact O-CA 3.43Å; M58-F89 HydrophobicContact CB-CB 4.29Å; M58-F89 HydrophobicContact CB-CD1 4.04Å; M58-F89 HydrophobicContact CB-CG 4.29Å; L85-F89 WeakPolarHBondContact O-CD2 3.38Å; S86-F89 PolarHBondContact O-N 3.45Å; S86-F89 VanDerWaalsContact O-N 3.16Å; F89-M91 HydrophobicContact CB-CG 4.49Å; F89-M91 HydrophobicContact CB-SD 3.73Å; F89-F117 HydrophobicContact CD1-CD1 4.47Å; F89-F117 AromaticContact CE1-CD1 3.91Å; F89-F117 HydrophobicContact CE1-CD1 3.91Å; F89-F117 HydrophobicContact CE1-CE1 4.19Å; F89-F117 HydrophobicContact CZ-CE1 4.5Å; F89-M151 HydrophobicContact CD2-CE 3.95Å; F89-M151 HydrophobicContact CE2-CB 4.16Å; F89-M151 HydrophobicContact CE2-CE 4.25Å; F89-M151 HydrophobicContact CZ-CB 4.44Å; F89-M151 VanDerWaalsContact CZ-O 3.24Å; F89-M151 WeakPolarHBondContact CZ-O 3.24Å; F89-A154 HydrophobicContact CE1-CB 3.91Å; F89-A154 HydrophobicContact CZ-CB 3.93Å; F89-Q155 HydrophobicContact CE2-CB 4.16Å; F89-Q155 HydrophobicContact CZ-CB 3.93Å
90	V	98.2	Very high	96.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	109	160.6	-174.1	0	0	0	0	108.3	R41 E49 A50 L55 P56 L57 M58	R41-V90 HydrophobicContact CB-CG1 4.29Å; R41-V90 HydrophobicContact CG-CG1 4.04Å; E49-V90 HydrophobicContact CB-CG1 4.27Å; E49-V90 HydrophobicContact CB-CG2 4.34Å; E49-V90 HydrophobicContact CG-CG2 4.15Å; A50-V90 HydrophobicContact CB-CG2 4.05Å; L55-V90 HydrophobicContact CB-CG2 4.16Å; P56-V90 PolarHBondContact O-N 3.07Å; L57-V90 WeakPolarHBondContact CA-O 3.44Å; L57-V90 HydrophobicContact CG-CB 4.2Å; M58-V90 PolarHBondContact N-O 3.23Å
91	M	98.4	Very high	96.4	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.1	-170.9	-59.1	-66.8	-71.8	0	0	110.9	I38 W40 R41 M58 F76 F89 M151	I38-M91 HydrophobicContact CG2-CB 3.89Å; I38-M91 HydrophobicContact CG2-CE 4.02Å; I38-M91 HydrophobicContact CG2-CG 3.69Å; W40-M91 CarbonylContact C-O 3.51Å; W40-M91 WeakPolarHBondContact CA-O 3.29Å; W40-M91 HydrophobicContact CD2-CB 4.34Å; W40-M91 HydrophobicContact CE3-CB 3.76Å; W40-M91 HydrophobicContact CH2-CE 3.95Å; W40-M91 HydrophobicContact CZ3-CB 3.94Å; W40-M91 HydrophobicContact CZ3-CE 4.14Å; R41-M91 PolarHBondContact N-O 3.3Å; M58-M91 HydrophobicContact CB-SD 3.92Å; M58-M91 HydrophobicContact CG-SD 4.43Å; M58-M91 HydrophobicContact SD-CE 3.62Å; M58-M91 HydrophobicContact SD-SD 3.89Å; F76-M91 HydrophobicContact CE1-CE 4.26Å; F76-M91 HydrophobicContact CZ-CE 3.93Å; F89-M91 HydrophobicContact CB-CG 4.49Å; F89-M91 HydrophobicContact CB-SD 3.73Å; M91-M151 HydrophobicContact CE-CE 4.46Å; M91-M151 HydrophobicContact SD-CE 4.43Å
92	V	98.4	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	-177.8	178	0	0	0	0	109.9	R41 L43 L57 M58 V59 I60 L94	R41-V92 HydrophobicContact CB-CG2 4.34Å; L43-V92 HydrophobicContact CB-CG1 4.18Å; L43-V92 HydrophobicContact CD1-CG1 4.26Å; L57-V92 HydrophobicContact CD2-CG2 4.21Å; M58-V92 PolarHBondContact O-N 3.4Å; V59-V92 WeakPolarHBondContact CA-O 3.32Å; V59-V92 HydrophobicContact CG1-CG1 4.34Å; V59-V92 HydrophobicContact CG2-CB 4.11Å; V59-V92 HydrophobicContact CG2-CG1 4.43Å; I60-V92 PolarHBondContact N-O 3.03Å; V92-L94 HydrophobicContact CG1-CD1 4.32Å; V92-L94 HydrophobicContact CG1-CD2 3.77Å; V92-L94 HydrophobicContact CG1-CG 3.94Å
93	N	97.8	Very high	95.9	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.5	-177.5	178.4	-29.2	0	0	0	108.7	L30 G31 F34 W40 H62	L30-N93 WeakPolarHBondContact O-CB 3.48Å; L30-N93 PolarHBondContact O-ND2 3.46Å; G31-N93 PolarHBondContact O-ND2 3.08Å; F34-N93 WeakPolarHBondContact CD2-ND2 3.38Å; W40-N93 HydrophobicContact CD2-CB 4.23Å; W40-N93 HydrophobicContact CE3-CB 3.55Å; W40-N93 HydrophobicContact CZ3-CB 3.78Å; H62-N93 PolarHBondContact CD2-OD1 2.89Å; H62-N93 PolarHBondContact NE2-OD1 3.11Å
94	L	97.1	Very high	95.8	Very high	8 Å²	8	62 Å²	62	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.2	-174.2	-53.6	178.4	0	0	0	108.6	L43 V59 I60 I61 H62 V92 E98 P100	L43-L94 HydrophobicContact CB-CD1 4.5Å; L43-L94 HydrophobicContact CB-CD2 4.21Å; L43-L94 HydrophobicContact CD2-CD1 4.3Å; V59-L94 HydrophobicContact CG1-CD1 3.66Å; V59-L94 HydrophobicContact CG1-CG 4.23Å; I60-L94 PolarHBondContact O-N 3.18Å; I61-L94 WeakPolarHBondContact CA-O 3.44Å; I61-L94 HydrophobicContact CG1-CD1 4.48Å; H62-L94 PolarHBondContact CD2-O 2.63Å; H62-L94 VanDerWaalsContact CD2-O 3.31Å; H62-L94 PolarHBondContact N-O 3.02Å; V92-L94 HydrophobicContact CG1-CD1 4.32Å; V92-L94 HydrophobicContact CG1-CD2 3.77Å; V92-L94 HydrophobicContact CG1-CG 3.94Å; L94-E98 HydrophobicContact CB-CB 4.02Å; L94-E98 HydrophobicContact CD2-CB 4.13Å; L94-P100 HydrophobicContact CD1-CG 3.98Å
95	E	97	Very high	95.7	Very high	31 Å²	31	56.2 Å²	56.2	15%	0.145	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.4	179.1	-167.2	170.1	-128.1	0	0	110.8	K32 H62 K73 E97 E98	K32-E95 WeakPolarHBondContact CD-OE2 3.08Å; K32-E95 HydrophobicContact CG-CB 4.46Å; K32-E95 WeakPolarHBondContact CG-OE2 3.27Å; K32-E95 IonicContact NZ-OE2 3.54Å; K32-E95 PolarHBondContact NZ-OE2 3.32Å; K32-E95 VanDerWaalsContact NZ-OE2 3.09Å; H62-E95 VanDerWaalsContact CE1-CD 3.49Å; H62-E95 VanDerWaalsContact CE1-CG 3.45Å; H62-E95 WeakPolarHBondContact CE1-CG 3.46Å; H62-E95 IonicContact CE1-OE1 3.14Å; H62-E95 PolarHBondContact CE1-OE1 2.99Å; H62-E95 IonicContact ND1-OE1 3.78Å; H62-E95 WeakPolarHBondContact O-CA 3.42Å; K73-E95 IonicContact NZ-OE1 3.09Å; K73-E95 PolarHBondContact NZ-OE1 2.79Å; K73-E95 VanDerWaalsContact NZ-OE1 3.09Å; E95-E97 PolarHBondContact O-N 2.86Å; E95-E98 PolarHBondContact N-OE2 3.07Å; E95-E98 VanDerWaalsContact O-CB 3.24Å; E95-E98 WeakPolarHBondContact O-CB 3.31Å; E95-E98 VanDerWaalsContact O-CG 3.29Å; E95-E98 WeakPolarHBondContact O-CG 3.11Å; E95-E98 PolarHBondContact O-N 3.16Å
96	D	94.9	Very high	95.6	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	55.4	-119.1	172	-60.9	-14.2	0	0	0	112.4	H62 K63 S64 W65 E98 E99	H62-D96 PolarHBondContact O-N 3.23Å; K63-D96 WeakPolarHBondContact CA-OD1 3.34Å; K63-D96 WeakPolarHBondContact CB-OD1 3.21Å; K63-D96 PolarHBondContact NZ-O 3.2Å; S64-D96 VanDerWaalsContact CB-OD2 3.22Å; S64-D96 WeakPolarHBondContact CB-OD2 3.37Å; S64-D96 PolarHBondContact N-OD1 3.42Å; S64-D96 PolarHBondContact OG-OD1 3.44Å; S64-D96 PolarHBondContact OG-OD2 3.45Å; W65-D96 HydrophobicContact CH2-CB 4.47Å; W65-D96 HydrophobicContact CZ3-CB 4.21Å; W65-D96 VanDerWaalsContact CZ3-CG 3.41Å; W65-D96 WeakPolarHBondContact CZ3-OD1 3.45Å; D96-E98 PolarHBondContact O-N 3.2Å; D96-E99 PolarHBondContact O-N 2.98Å
97	E	93.1	Very high	95.4	Very high	172 Å²	172	59 Å²	59	80%	0.804	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-75.1	-0.4	-177.8	-58.5	-62.2	125.3	0	0	113.8	E95 E99	E95-E97 PolarHBondContact O-N 2.86Å; E97-E99 PolarHBondContact O-N 3.17Å
98	E	93.4	Very high	95.3	Very high	83 Å²	83	54.7 Å²	54.7	39%	0.388	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-74.4	-9.5	172.9	-60	166.8	168.3	0	0	112.3	K32 L94 E95 D96	K32-E98 VanDerWaalsContact NZ-CD 3.34Å; K32-E98 IonicContact NZ-OE1 2.61Å; K32-E98 PolarHBondContact NZ-OE1 2.98Å; K32-E98 IonicContact NZ-OE2 2.64Å; K32-E98 PolarHBondContact NZ-OE2 2.89Å; L94-E98 HydrophobicContact CB-CB 4.02Å; L94-E98 HydrophobicContact CD2-CB 4.13Å; E95-E98 PolarHBondContact N-OE2 3.07Å; E95-E98 VanDerWaalsContact O-CB 3.24Å; E95-E98 WeakPolarHBondContact O-CB 3.31Å; E95-E98 VanDerWaalsContact O-CG 3.29Å; E95-E98 WeakPolarHBondContact O-CG 3.11Å; E95-E98 PolarHBondContact O-N 3.16Å; D96-E98 PolarHBondContact O-N 3.2Å
99	E	94.5	Very high	95.2	Very high	48 Å²	48	53.3 Å²	53.3	22%	0.224	27%	0.273	C	S	.	.	S	Bend	trans	-65.9	125.7	176.3	-177.3	172.1	-152.7	0	0	111.9	I61 K63 D96 E97 R114	I61-E99 HydrophobicContact CG2-CB 4.17Å; I61-E99 HydrophobicContact CG2-CG 3.78Å; K63-E99 WeakPolarHBondContact CE-OE2 3.32Å; K63-E99 IonicContact NZ-OE2 3.04Å; K63-E99 PolarHBondContact NZ-OE2 2.99Å; D96-E99 PolarHBondContact O-N 2.98Å; E97-E99 PolarHBondContact O-N 3.17Å; E99-R114 IonicContact OE1-CZ 2.79Å; E99-R114 VanDerWaalsContact OE1-CZ 3.26Å; E99-R114 IonicContact OE1-NH1 2.71Å; E99-R114 PolarHBondContact OE1-NH1 2.98Å; E99-R114 IonicContact OE1-NH2 3.79Å; E99-R114 PolarHBondContact OE1-NH2 2.7Å
100	P	93.9	Very high	94.9	Very high	30 Å²	30	55.8 Å²	55.8	20%	0.195	30%	0.301	C	S	.	.			trans	-67.4	144.3	179.3	-20	35	0	0	0	111.5	L43 L94 D102 F105	L43-P100 HydrophobicContact CD2-CB 4.49Å; L43-P100 HydrophobicContact CD2-CG 3.57Å; L94-P100 HydrophobicContact CD1-CG 3.98Å; P100-D102 HydrophobicContact CB-CB 4.44Å; P100-D102 PolarHBondContact O-N 2.84Å; P100-F105 HydrophobicContact CB-CD2 3.77Å; P100-F105 HydrophobicContact CB-CE2 4.03Å; P100-F105 HydrophobicContact CB-CG 4.12Å; P100-F105 HydrophobicContact CG-CD1 4.01Å; P100-F105 HydrophobicContact CG-CD2 3.93Å; P100-F105 HydrophobicContact CG-CE1 4.11Å; P100-F105 HydrophobicContact CG-CE2 4.04Å; P100-F105 HydrophobicContact CG-CG 3.91Å; P100-F105 HydrophobicContact CG-CZ 4.12Å
101	K	91.8	Very high	94.8	Very high	210 Å²	210	57.6 Å²	57.6	91%	0.913	31%	0.308	S	S	*	.	S	Bend	trans	-83	21.3	175	-60.9	-178	-180	177.4	0	113.3
102	D	92.7	Very high	94.6	Very high	80 Å²	80	59.4 Å²	59.4	43%	0.428	32%	0.318	S	S	.	.			trans	-102.7	125.7	-176.3	-175.3	-9.5	0	0	0	108.3	P100 D104 F105	P100-D102 HydrophobicContact CB-CB 4.44Å; P100-D102 PolarHBondContact O-N 2.84Å; D102-D104 PolarHBondContact O-N 3.07Å; D102-D104 VanDerWaalsContact O-N 3.17Å; D102-D104 PolarHBondContact OD1-N 3.19Å; D102-F105 HydrophobicContact CB-CD2 3.97Å; D102-F105 HydrophobicContact CB-CE2 4.34Å; D102-F105 PolarHBondContact O-N 2.93Å
103	E	93.3	Very high	94.5	Very high	146 Å²	146	59.5 Å²	59.5	68%	0.682	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.3	-174.2	-64.6	-68.9	158.2	0	0	112.3	F105 S106	E103-F105 PolarHBondContact O-N 2.77Å; E103-F105 VanDerWaalsContact O-N 3.12Å; E103-S106 CarbonylContact O-C 3.42Å; E103-S106 PolarHBondContact O-N 3.17Å
104	D	94.5	Very high	94.5	Very high	89 Å²	89	59.4 Å²	59.4	48%	0.476	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-56.8	-24.4	171.5	-83.9	8.4	0	0	0	112.2	D102 P107 V124	D102-D104 PolarHBondContact O-N 3.07Å; D102-D104 VanDerWaalsContact O-N 3.17Å; D102-D104 PolarHBondContact OD1-N 3.19Å; D104-P107 WeakPolarHBondContact O-CD 3.37Å; D104-V124 HydrophobicContact CB-CB 4.42Å; D104-V124 HydrophobicContact CB-CG2 4.04Å; D104-V124 WeakPolarHBondContact O-CG1 3.09Å
105	F	95.2	Very high	94.5	Very high	4 Å²	4	59 Å²	59	2%	0.018	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-90.6	-1	176	-66.4	-94.7	0	0	0	113.9	L43 V59 I61 P100 D102 E103 P107 R114 L116 L118 V124	L43-F105 HydrophobicContact CD1-CE1 4.3Å; L43-F105 HydrophobicContact CD1-CZ 4.25Å; L43-F105 HydrophobicContact CD2-CE1 4.28Å; L43-F105 HydrophobicContact CD2-CZ 3.9Å; V59-F105 HydrophobicContact CG1-CD1 4.45Å; V59-F105 HydrophobicContact CG1-CE1 4.28Å; V59-F105 HydrophobicContact CG2-CE1 4.49Å; I61-F105 HydrophobicContact CD1-CB 3.92Å; I61-F105 HydrophobicContact CD1-CD1 4.09Å; I61-F105 HydrophobicContact CD1-CG 4.47Å; P100-F105 HydrophobicContact CB-CD2 3.77Å; P100-F105 HydrophobicContact CB-CE2 4.03Å; P100-F105 HydrophobicContact CB-CG 4.12Å; P100-F105 HydrophobicContact CG-CD1 4.01Å; P100-F105 HydrophobicContact CG-CD2 3.93Å; P100-F105 HydrophobicContact CG-CE1 4.11Å; P100-F105 HydrophobicContact CG-CE2 4.04Å; P100-F105 HydrophobicContact CG-CG 3.91Å; P100-F105 HydrophobicContact CG-CZ 4.12Å; D102-F105 HydrophobicContact CB-CD2 3.97Å; D102-F105 HydrophobicContact CB-CE2 4.34Å; D102-F105 PolarHBondContact O-N 2.93Å; E103-F105 PolarHBondContact O-N 2.77Å; E103-F105 VanDerWaalsContact O-N 3.12Å; F105-P107 VanDerWaalsContact C-CD 3.46Å; F105-R114 VanDerWaalsContact O-CZ 3.31Å; F105-R114 PolarHBondContact O-NE 2.97Å; F105-R114 PolarHBondContact O-NH2 3.09Å; F105-L116 HydrophobicContact CB-CD1 4.21Å; F105-L116 HydrophobicContact CD1-CD1 4.17Å; F105-L116 WeakPolarHBondContact O-CD1 3.45Å; F105-L118 HydrophobicContact CE1-CD2 4.27Å; F105-L118 HydrophobicContact CZ-CD2 4.25Å; F105-V124 HydrophobicContact CE1-CG2 4.46Å; F105-V124 HydrophobicContact CZ-CG2 4.43Å
106	S	95.4	Very high	94.6	Very high	27 Å²	27	57.6 Å²	57.6	19%	0.189	31%	0.309	C	S	.	.			trans	-133.4	47.1	175.1	49.4	0	0	0	0	114.3	E103 D108 G109	E103-S106 CarbonylContact O-C 3.42Å; E103-S106 PolarHBondContact O-N 3.17Å; S106-D108 VanDerWaalsContact C-N 3.26Å; S106-D108 PolarHBondContact O-N 3.5Å; S106-D108 VanDerWaalsContact O-N 3.07Å; S106-G109 PolarHBondContact O-N 3.38Å
107	P	93.8	Very high	94.7	Very high	57 Å²	57	56 Å²	56	37%	0.37	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.4	-166.5	25.4	-33.3	0	0	0	116	D104 F105 L116 P126 Y139	D104-P107 WeakPolarHBondContact O-CD 3.37Å; F105-P107 VanDerWaalsContact C-CD 3.46Å; P107-L116 HydrophobicContact CG-CD2 4.35Å; P107-P126 HydrophobicContact CB-CB 4.07Å; P107-P126 HydrophobicContact CG-CB 4.06Å; P107-Y139 HydrophobicContact CB-CE2 4.48Å; P107-Y139 HydrophobicContact CG-CD2 4.41Å; P107-Y139 HydrophobicContact CG-CE2 3.59Å
108	D	93.8	Very high	95	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	17.4	165.4	75.3	-19.3	0	0	0	113.4	S106 Y111 K138 Y139	S106-D108 VanDerWaalsContact C-N 3.26Å; S106-D108 PolarHBondContact O-N 3.5Å; S106-D108 VanDerWaalsContact O-N 3.07Å; D108-Y111 WeakPolarHBondContact OD1-CE1 3.45Å; D108-Y111 PolarHBondContact OD1-OH 2.64Å; D108-Y111 PolarHBondContact OD2-OH 2.68Å; D108-K138 WeakPolarHBondContact OD2-CB 3.33Å; D108-K138 WeakPolarHBondContact OD2-CG 3.29Å; D108-K138 PolarHBondContact OD2-N 2.61Å; D108-Y139 HydrophobicContact CB-CE2 4.19Å; D108-Y139 WeakPolarHBondContact OD1-CD2 3.11Å; D108-Y139 WeakPolarHBondContact OD1-CE2 3.1Å
109	G	93.2	Very high	95.1	Very high	30 Å²	30	45.1 Å²	45.1	31%	0.309	25%	0.25	S	S	.	.			trans	124.3	170.6	173.8	0	0	0	0	0	115.6	S106 Y111 R114	S106-G109 PolarHBondContact O-N 3.38Å; G109-Y111 PolarHBondContact O-N 3.17Å; G109-R114 WeakPolarHBondContact O-CD 3.34Å
110	G	93.3	Very high	95.1	Very high	62 Å²	62	43.7 Å²	43.7	64%	0.639	25%	0.245	S	C	*	.	S	Bend	trans	-91.2	30.5	-175.1	0	0	0	0	0	116
111	Y	94.7	Very high	95.1	Very high	39 Å²	39	46 Å²	46	15%	0.153	26%	0.262	C	S	.	.			trans	-73.4	170.3	173.5	59.8	-93.7	0	0	0	111.3	D108 G109 R114 Y137 K138 Y139 F140	D108-Y111 WeakPolarHBondContact OD1-CE1 3.45Å; D108-Y111 PolarHBondContact OD1-OH 2.64Å; D108-Y111 PolarHBondContact OD2-OH 2.68Å; G109-Y111 PolarHBondContact O-N 3.17Å; Y111-R114 HydrophobicContact CD2-CG 4Å; Y111-R114 HydrophobicContact CE2-CG 3.82Å; Y111-R114 VanDerWaalsContact O-CD 3.27Å; Y111-R114 WeakPolarHBondContact O-CD 3.35Å; Y111-R114 WeakPolarHBondContact O-CG 3.29Å; Y111-R114 PolarHBondContact O-NH1 2.84Å; Y111-Y137 AromaticContact CD1-CD1 3.62Å; Y111-Y137 HydrophobicContact CD1-CD1 3.62Å; Y111-Y137 HydrophobicContact CD1-CE1 4.24Å; Y111-Y137 HydrophobicContact CD2-CD1 4.27Å; Y111-Y137 AromaticContact CE1-CD1 3.82Å; Y111-Y137 HydrophobicContact CE1-CD1 3.82Å; Y111-Y137 HydrophobicContact CE2-CD1 4.46Å; Y111-Y137 AromaticContact CG-CD1 3.85Å; Y111-Y137 HydrophobicContact CG-CD1 3.85Å; Y111-Y137 HydrophobicContact CG-CE1 4.46Å; Y111-K138 PolarHBondContact OH-N 3.23Å; Y111-K138 VanDerWaalsContact OH-N 3.08Å; Y111-Y139 VanDerWaalsContact OH-CD2 3.31Å; Y111-Y139 WeakPolarHBondContact OH-CD2 3.35Å; Y111-Y139 PolarHBondContact OH-N 3.19Å; Y111-F140 HydrophobicContact CD2-CB 4.24Å; Y111-F140 HydrophobicContact CD2-CD2 4.27Å; Y111-F140 HydrophobicContact CE2-CB 3.77Å
112	I	94.4	Very high	95.2	Very high	41 Å²	41	36.5 Å²	36.5	21%	0.21	22%	0.224	C	C	.	.	S	Bend	trans	-146.8	148	-174.4	52.3	176.9	0	0	0	112.9	K63 C66 F140	K63-I112 HydrophobicContact CB-CD1 3.73Å; K63-I112 HydrophobicContact CG-CD1 3.3Å; K63-I112 HydrophobicContact CG-CG2 4.31Å; C66-I112 HydrophobicContact CB-CD1 3.73Å; C66-I112 HydrophobicContact CB-CG1 4.31Å; I112-F140 WeakPolarHBondContact O-CE2 3.35Å
113	P	96.1	Very high	95.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.013	23%	0.227	C	C	.	.	S	Bend	cis	-73.1	159.5	-6.6	32.4	-33.4	0	0	0	111.7	I61 H62 C69 L72	I61-P113 CarbonylContact O-C 3.54Å; I61-P113 WeakPolarHBondContact O-CA 3.11Å; I61-P113 WeakPolarHBondContact O-CB 3.25Å; H62-P113 HydrophobicContact CB-CB 4.07Å; C69-P113 VanDerWaalsContact SG-CD 3.5Å; L72-P113 HydrophobicContact CD2-CG 4Å
114	R	97.7	Very high	95.5	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.3	168.7	-52.6	-168.9	-59.4	-77.7	5.7	109.3	I61 E99 F105 G109 Y111 Y139	I61-R114 HydrophobicContact CB-CB 4.48Å; I61-R114 PolarHBondContact N-O 3.31Å; I61-R114 PolarHBondContact O-N 3.16Å; E99-R114 IonicContact OE1-CZ 2.79Å; E99-R114 VanDerWaalsContact OE1-CZ 3.26Å; E99-R114 IonicContact OE1-NH1 2.71Å; E99-R114 PolarHBondContact OE1-NH1 2.98Å; E99-R114 IonicContact OE1-NH2 3.79Å; E99-R114 PolarHBondContact OE1-NH2 2.7Å; F105-R114 VanDerWaalsContact O-CZ 3.31Å; F105-R114 PolarHBondContact O-NE 2.97Å; F105-R114 PolarHBondContact O-NH2 3.09Å; G109-R114 WeakPolarHBondContact O-CD 3.34Å; Y111-R114 HydrophobicContact CD2-CG 4Å; Y111-R114 HydrophobicContact CE2-CG 3.82Å; Y111-R114 VanDerWaalsContact O-CD 3.27Å; Y111-R114 WeakPolarHBondContact O-CD 3.35Å; Y111-R114 WeakPolarHBondContact O-CG 3.29Å; Y111-R114 PolarHBondContact O-NH1 2.84Å; R114-Y139 WeakPolarHBondContact CA-O 3.2Å
115	I	98.3	Very high	95.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.4	169.1	-57.2	-178.9	0	0	0	107.8	M58 V59 I60 L72 F76 F117 Y139 Y141 V147	M58-I115 HydrophobicContact CE-CD1 4.15Å; M58-I115 HydrophobicContact CE-CG2 3.57Å; M58-I115 HydrophobicContact CG-CG2 4.06Å; V59-I115 WeakPolarHBondContact O-CA 3.35Å; I60-I115 HydrophobicContact CG1-CG1 4.25Å; I60-I115 HydrophobicContact CG2-CG1 4.36Å; L72-I115 HydrophobicContact CD2-CD1 4.45Å; F76-I115 HydrophobicContact CE2-CD1 4.45Å; I115-F117 HydrophobicContact CG2-CE2 4.28Å; I115-F117 HydrophobicContact CG2-CZ 4.1Å; I115-Y139 PolarHBondContact N-O 3.49Å; I115-Y141 HydrophobicContact CB-CD2 3.67Å; I115-Y141 HydrophobicContact CB-CE2 3.73Å; I115-Y141 HydrophobicContact CD1-CD2 3.88Å; I115-Y141 HydrophobicContact CD1-CG 4.06Å; I115-Y141 HydrophobicContact CG1-CD2 3.91Å; I115-Y141 HydrophobicContact CG1-CE2 4.47Å; I115-Y141 HydrophobicContact CG2-CE2 4.44Å; I115-V147 HydrophobicContact CD1-CG1 4.32Å; I115-V147 HydrophobicContact CD1-CG2 3.76Å
116	L	98.3	Very high	95.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.4	-178.9	-66	172.1	0	0	0	109.9	V59 I61 F105 P107 L118 V124 Y139	V59-L116 PolarHBondContact N-O 3.4Å; V59-L116 PolarHBondContact O-N 3.3Å; I61-L116 HydrophobicContact CD1-CD1 4.33Å; F105-L116 HydrophobicContact CB-CD1 4.21Å; F105-L116 HydrophobicContact CD1-CD1 4.17Å; F105-L116 WeakPolarHBondContact O-CD1 3.45Å; P107-L116 HydrophobicContact CG-CD2 4.35Å; L116-L118 HydrophobicContact CB-CD1 4.21Å; L116-V124 HydrophobicContact CB-CG1 4.46Å; L116-V124 HydrophobicContact CD1-CG1 4.44Å; L116-V124 HydrophobicContact CD2-CG1 4.31Å; L116-Y139 HydrophobicContact CD2-CD1 3.44Å; L116-Y139 VanDerWaalsContact CD2-CD1 3.44Å; L116-Y139 HydrophobicContact CD2-CD2 4.09Å; L116-Y139 HydrophobicContact CD2-CE1 3.75Å; L116-Y139 HydrophobicContact CD2-CE2 4.41Å; L116-Y139 HydrophobicContact CD2-CG 3.62Å
117	F	98.3	Very high	95.7	Very high	1 Å²	1	34 Å²	34	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.6	175.2	-61	-79.5	0	0	0	109.9	L57 M58 F89 I115 H125 I128 G150 M151 A154 L158	L57-F117 WeakPolarHBondContact O-CA 3.5Å; M58-F117 HydrophobicContact CB-CD1 4.15Å; M58-F117 HydrophobicContact CB-CE1 4.02Å; M58-F117 HydrophobicContact CE-CE1 4.44Å; M58-F117 HydrophobicContact CE-CZ 4.42Å; M58-F117 HydrophobicContact CG-CD1 4.15Å; M58-F117 HydrophobicContact CG-CE1 3.64Å; M58-F117 HydrophobicContact CG-CZ 4.36Å; M58-F117 HydrophobicContact SD-CE1 4.06Å; F89-F117 HydrophobicContact CD1-CD1 4.47Å; F89-F117 AromaticContact CE1-CD1 3.91Å; F89-F117 HydrophobicContact CE1-CD1 3.91Å; F89-F117 HydrophobicContact CE1-CE1 4.19Å; F89-F117 HydrophobicContact CZ-CE1 4.5Å; I115-F117 HydrophobicContact CG2-CE2 4.28Å; I115-F117 HydrophobicContact CG2-CZ 4.1Å; F117-H125 PolarHBondContact O-N 2.85Å; F117-I128 HydrophobicContact CB-CD1 4.16Å; F117-I128 HydrophobicContact CD2-CB 4.27Å; F117-I128 HydrophobicContact CD2-CG2 3.57Å; F117-I128 HydrophobicContact CE2-CG2 4.09Å; F117-I128 HydrophobicContact CG-CG2 4.33Å; F117-G150 VanDerWaalsContact CZ-C 3.44Å; F117-M151 HydrophobicContact CE1-CG 4.02Å; F117-M151 HydrophobicContact CZ-CG 4.08Å; F117-A154 HydrophobicContact CB-CB 3.82Å; F117-A154 HydrophobicContact CD1-CB 3.36Å; F117-A154 HydrophobicContact CD2-CB 3.96Å; F117-A154 HydrophobicContact CE1-CB 3.84Å; F117-A154 HydrophobicContact CE2-CB 4.39Å; F117-A154 HydrophobicContact CG-CB 3.42Å; F117-A154 VanDerWaalsContact CG-CB 3.42Å; F117-A154 HydrophobicContact CZ-CB 4.33Å; F117-L158 HydrophobicContact CB-CD1 3.9Å
118	L	97.6	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.7	-179	-71.7	60	0	0	0	109.5	P56 L57 V59 F105 L116 K123 V124	P56-L118 CarbonylContact C-O 3.59Å; P56-L118 WeakPolarHBondContact CA-O 3.4Å; P56-L118 WeakPolarHBondContact CB-O 3.1Å; L57-L118 HydrophobicContact CB-CB 4.1Å; L57-L118 HydrophobicContact CD1-CB 3.74Å; L57-L118 HydrophobicContact CD1-CD2 4.37Å; L57-L118 HydrophobicContact CG-CB 4.49Å; L57-L118 PolarHBondContact N-O 3.43Å; L57-L118 PolarHBondContact O-N 2.91Å; V59-L118 HydrophobicContact CB-CD1 4.3Å; V59-L118 HydrophobicContact CG2-CD1 3.66Å; V59-L118 HydrophobicContact CG2-CD2 4.09Å; F105-L118 HydrophobicContact CE1-CD2 4.27Å; F105-L118 HydrophobicContact CZ-CD2 4.25Å; L116-L118 HydrophobicContact CB-CD1 4.21Å; L118-K123 CarbonylContact C-O 3.52Å; L118-K123 WeakPolarHBondContact CA-O 3.48Å; L118-K123 WeakPolarHBondContact CB-O 3.28Å; L118-V124 HydrophobicContact CD1-CG2 3.89Å; L118-V124 HydrophobicContact CD2-CG2 4.38Å; L118-V124 HydrophobicContact CG-CB 4.46Å; L118-V124 HydrophobicContact CG-CG2 3.86Å
119	D	96.2	Very high	96	Very high	28 Å²	28	30.3 Å²	30.3	15%	0.15	18%	0.184	C	C	.	.			trans	-68.3	168.7	172.1	76.3	6.6	0	0	0	111.7	L57 S121 G122 K123 H125 L158	L57-D119 VanDerWaalsContact CD1-O 3.24Å; L57-D119 WeakPolarHBondContact CD1-O 3.46Å; D119-S121 VanDerWaalsContact CG-OG 3.24Å; D119-S121 PolarHBondContact O-N 3.32Å; D119-S121 VanDerWaalsContact OD1-CA 3.29Å; D119-S121 WeakPolarHBondContact OD1-CA 3.35Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 2.86Å; D119-S121 PolarHBondContact OD1-OG 2.84Å; D119-S121 PolarHBondContact OD2-OG 3.4Å; D119-S121 VanDerWaalsContact OD2-OG 3.09Å; D119-G122 PolarHBondContact O-N 3.05Å; D119-G122 PolarHBondContact OD1-N 3.19Å; D119-G122 VanDerWaalsContact OD1-N 3.07Å; D119-K123 PolarHBondContact N-O 3.42Å; D119-K123 WeakPolarHBondContact OD1-CB 3.17Å; D119-K123 PolarHBondContact OD1-N 2.89Å; D119-H125 IonicContact OD2-NE2 3.18Å; D119-L158 HydrophobicContact CB-CD2 4.39Å
120	P	95.1	Very high	96.2	Very high	18 Å²	18	29.2 Å²	29.2	12%	0.117	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.3	177.3	-24.7	35.1	0	0	0	115.1	A50 A51 G54 G122 A162	A50-P120 CarbonylContact C-O 3.55Å; A51-P120 VanDerWaalsContact CA-O 3.26Å; A51-P120 WeakPolarHBondContact CA-O 3.41Å; A51-P120 PolarHBondContact N-O 2.66Å; G54-P120 VanDerWaalsContact O-CG 3.25Å; G54-P120 WeakPolarHBondContact O-CG 3.46Å; P120-G122 VanDerWaalsContact C-N 3.32Å; P120-A162 HydrophobicContact CG-CB 4.08Å
121	S	93.2	Very high	96.3	Very high	79 Å²	79	32.4 Å²	32.4	55%	0.552	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.6	172.4	82.2	0	0	0	0	113.2	D119	D119-S121 VanDerWaalsContact CG-OG 3.24Å; D119-S121 PolarHBondContact O-N 3.32Å; D119-S121 VanDerWaalsContact OD1-CA 3.29Å; D119-S121 WeakPolarHBondContact OD1-CA 3.35Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 2.86Å; D119-S121 PolarHBondContact OD1-OG 2.84Å; D119-S121 PolarHBondContact OD2-OG 3.4Å; D119-S121 VanDerWaalsContact OD2-OG 3.09Å
122	G	93.9	Very high	96.2	Very high	10 Å²	10	36.1 Å²	36.1	10%	0.103	19%	0.192	C	C	.	.	S	Bend	trans	84.6	18	-179.8	0	0	0	0	0	114.1	D119 P120	D119-G122 PolarHBondContact O-N 3.05Å; D119-G122 PolarHBondContact OD1-N 3.19Å; D119-G122 VanDerWaalsContact OD1-N 3.07Å; P120-G122 VanDerWaalsContact C-N 3.32Å
123	K	95.6	Very high	96.2	Very high	115 Å²	115	35.6 Å²	35.6	50%	0.5	20%	0.197	S	C	.	.			trans	-88.4	137.3	175.7	-174.8	-163.1	167.7	-141.1	0	110.2	L118 D119 H125	L118-K123 CarbonylContact C-O 3.52Å; L118-K123 WeakPolarHBondContact CA-O 3.48Å; L118-K123 WeakPolarHBondContact CB-O 3.28Å; D119-K123 PolarHBondContact N-O 3.42Å; D119-K123 WeakPolarHBondContact OD1-CB 3.17Å; D119-K123 PolarHBondContact OD1-N 2.89Å; K123-H125 PolarHBondContact O-CD2 3.48Å
124	V	96.6	Very high	96.1	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.048	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-74.3	141.1	176.7	-175.6	0	0	0	0	111.3	D104 F105 L116 L118 P126	D104-V124 HydrophobicContact CB-CB 4.42Å; D104-V124 HydrophobicContact CB-CG2 4.04Å; D104-V124 WeakPolarHBondContact O-CG1 3.09Å; F105-V124 HydrophobicContact CE1-CG2 4.46Å; F105-V124 HydrophobicContact CZ-CG2 4.43Å; L116-V124 HydrophobicContact CB-CG1 4.46Å; L116-V124 HydrophobicContact CD1-CG1 4.44Å; L116-V124 HydrophobicContact CD2-CG1 4.31Å; L118-V124 HydrophobicContact CD1-CG2 3.89Å; L118-V124 HydrophobicContact CD2-CG2 4.38Å; L118-V124 HydrophobicContact CG-CB 4.46Å; L118-V124 HydrophobicContact CG-CG2 3.86Å; V124-P126 WeakPolarHBondContact O-CD 3.27Å
125	H	96.9	Very high	95.9	Very high	21 Å²	21	44 Å²	44	10%	0.097	25%	0.248	C	C	.	.			trans	-113.1	83.8	175.6	-83	-103.1	0	0	0	110.9	F117 D119 K123 E127 I128 L158	F117-H125 PolarHBondContact O-N 2.85Å; D119-H125 IonicContact OD2-NE2 3.18Å; K123-H125 PolarHBondContact O-CD2 3.48Å; H125-E127 WeakPolarHBondContact CA-OE2 3.46Å; H125-E127 IonicContact CE1-OE1 3.86Å; H125-E127 IonicContact CG-OE1 3.76Å; H125-E127 IonicContact ND1-OE1 3.67Å; H125-E127 PolarHBondContact ND1-OE1 3.35Å; H125-E127 IonicContact ND1-OE2 4Å; H125-E127 PolarHBondContact O-N 3.2Å; H125-E127 VanDerWaalsContact O-N 3.16Å; H125-I128 HydrophobicContact CB-CD1 3.88Å; H125-I128 HydrophobicContact CB-CG1 4.45Å; H125-I128 PolarHBondContact O-N 2.95Å; H125-L158 HydrophobicContact CB-CD2 4.05Å
126	P	96	Very high	95.8	Very high	57 Å²	57	48 Å²	48	37%	0.37	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.3	-175.2	30.9	-37.2	0	0	0	114.2	P107 V124 I128 I129 Y139	P107-P126 HydrophobicContact CB-CB 4.07Å; P107-P126 HydrophobicContact CG-CB 4.06Å; V124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-I128 VanDerWaalsContact C-N 3.3Å; P126-I129 WeakPolarHBondContact O-CG2 3.39Å; P126-Y139 WeakPolarHBondContact CA-OH 3.48Å; P126-Y139 VanDerWaalsContact CB-OH 3.26Å; P126-Y139 WeakPolarHBondContact CB-OH 3.44Å; P126-Y139 PolarHBondContact O-OH 2.91Å
127	E	95.9	Very high	95.7	Very high	93 Å²	93	53.4 Å²	53.4	44%	0.435	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.9	172.4	76.2	-78.2	-172.4	0	0	114.2	H125 R157	H125-E127 WeakPolarHBondContact CA-OE2 3.46Å; H125-E127 IonicContact CE1-OE1 3.86Å; H125-E127 IonicContact CG-OE1 3.76Å; H125-E127 IonicContact ND1-OE1 3.67Å; H125-E127 PolarHBondContact ND1-OE1 3.35Å; H125-E127 IonicContact ND1-OE2 4Å; H125-E127 PolarHBondContact O-N 3.2Å; H125-E127 VanDerWaalsContact O-N 3.16Å; E127-R157 PolarHBondContact O-NH1 2.99Å; E127-R157 VanDerWaalsContact O-NH1 3.17Å
128	I	96.8	Very high	95.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.			trans	-100.1	111.8	172.3	-57	163.2	0	0	0	107.7	F117 H125 P126 E153 A154 L158	F117-I128 HydrophobicContact CB-CD1 4.16Å; F117-I128 HydrophobicContact CD2-CB 4.27Å; F117-I128 HydrophobicContact CD2-CG2 3.57Å; F117-I128 HydrophobicContact CE2-CG2 4.09Å; F117-I128 HydrophobicContact CG-CG2 4.33Å; H125-I128 HydrophobicContact CB-CD1 3.88Å; H125-I128 HydrophobicContact CB-CG1 4.45Å; H125-I128 PolarHBondContact O-N 2.95Å; P126-I128 VanDerWaalsContact C-N 3.3Å; I128-E153 HydrophobicContact CG2-CG 4.26Å; I128-A154 HydrophobicContact CD1-CB 4.15Å; I128-A154 HydrophobicContact CG2-CB 4.25Å; I128-L158 HydrophobicContact CD1-CD1 3.86Å; I128-L158 HydrophobicContact CD1-CD2 3.91Å; I128-L158 HydrophobicContact CD1-CG 3.85Å
129	I	97.9	Very high	95.7	Very high	30 Å²	30	57.8 Å²	57.8	15%	0.154	32%	0.315	C	S	.	.			trans	-133.3	171	-167.9	66.5	169.1	0	0	0	112.4	P126 E131 K138 Y139 Y141	P126-I129 WeakPolarHBondContact O-CG2 3.39Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 WeakPolarHBondContact CD1-OE1 3.38Å; I129-E131 HydrophobicContact CG1-CG 4.08Å; I129-E131 WeakPolarHBondContact CG1-OE1 3.35Å; I129-E131 PolarHBondContact O-N 3.37Å; I129-E131 VanDerWaalsContact O-N 3.07Å; I129-K138 HydrophobicContact CB-CB 4.05Å; I129-K138 HydrophobicContact CD1-CG 4.4Å; I129-K138 HydrophobicContact CG2-CB 3.88Å; I129-K138 HydrophobicContact CG2-CD 4.26Å; I129-K138 HydrophobicContact CG2-CG 4.47Å; I129-Y139 HydrophobicContact CG2-CD1 4.45Å; I129-Y139 HydrophobicContact CG2-CE1 3.79Å; I129-Y141 VanDerWaalsContact C-OH 3.23Å; I129-Y141 PolarHBondContact O-OH 2.61Å
130	N	97.5	Very high	95.8	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.037	32%	0.32	C	S	.	.			trans	-78.6	81.5	167.4	-169.4	4.3	0	0	0	110	N132 G133 K138 F140 Y141 Q146	N130-N132 PolarHBondContact O-N 3.5Å; N130-N132 VanDerWaalsContact O-N 3.17Å; N130-N132 PolarHBondContact OD1-N 3.32Å; N130-G133 VanDerWaalsContact CG-CA 3.5Å; N130-G133 WeakPolarHBondContact ND2-CA 3.42Å; N130-G133 WeakPolarHBondContact O-CA 3.35Å; N130-G133 PolarHBondContact O-N 2.82Å; N130-G133 PolarHBondContact OD1-N 3.09Å; N130-K138 VanDerWaalsContact CB-O 3.29Å; N130-K138 WeakPolarHBondContact CB-O 3.22Å; N130-K138 PolarHBondContact N-O 2.87Å; N130-F140 PolarHBondContact ND2-O 2.95Å; N130-Y141 HydrophobicContact CB-CD1 3.93Å; N130-Y141 HydrophobicContact CB-CD2 4.38Å; N130-Y141 HydrophobicContact CB-CE1 3.54Å; N130-Y141 HydrophobicContact CB-CE2 4.04Å; N130-Y141 HydrophobicContact CB-CG 4.33Å; N130-Y141 PolarHBondContact N-OH 2.87Å; N130-Q146 VanDerWaalsContact ND2-CD 3.34Å; N130-Q146 PolarHBondContact ND2-OE1 3.15Å; N130-Q146 VanDerWaalsContact ND2-OE1 3.15Å
131	E	94.8	Very high	95.9	Very high	129 Å²	129	58.4 Å²	58.4	60%	0.603	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.1	176.6	-70	-66.3	168.3	0	0	113.1	I129 G133	I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 WeakPolarHBondContact CD1-OE1 3.38Å; I129-E131 HydrophobicContact CG1-CG 4.08Å; I129-E131 WeakPolarHBondContact CG1-OE1 3.35Å; I129-E131 PolarHBondContact O-N 3.37Å; I129-E131 VanDerWaalsContact O-N 3.07Å; E131-G133 VanDerWaalsContact C-N 3.31Å
132	N	93.6	Very high	96	Very high	116 Å²	116	59 Å²	59	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	14.9	175.4	-64.6	-67.4	0	0	0	112.9	N130 Q146	N130-N132 PolarHBondContact O-N 3.5Å; N130-N132 VanDerWaalsContact O-N 3.17Å; N130-N132 PolarHBondContact OD1-N 3.32Å; N132-Q146 HydrophobicContact CB-CG 4.39Å; N132-Q146 PolarHBondContact O-NE2 3.09Å
133	G	94.6	Very high	96.1	Very high	30 Å²	30	59.7 Å²	59.7	31%	0.309	31%	0.314	S	S	.	.	S	Bend	trans	-100.1	-152.3	-176.4	0	0	0	0	0	113.6	N130 E131	N130-G133 VanDerWaalsContact CG-CA 3.5Å; N130-G133 WeakPolarHBondContact ND2-CA 3.42Å; N130-G133 WeakPolarHBondContact O-CA 3.35Å; N130-G133 PolarHBondContact O-N 2.82Å; N130-G133 PolarHBondContact OD1-N 3.09Å; E131-G133 VanDerWaalsContact C-N 3.31Å
134	N	93.7	Very high	96.1	Very high	72 Å²	72	54.7 Å²	54.7	39%	0.385	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-95.8	124.8	171.4	-175.4	-34.8	0	0	0	108.6	S136 Y137	N134-S136 PolarHBondContact O-N 3.42Å; N134-S136 VanDerWaalsContact O-N 3.07Å; N134-S136 WeakPolarHBondContact OD1-CB 3.36Å; N134-S136 PolarHBondContact OD1-N 2.86Å; N134-Y137 HydrophobicContact CB-CD2 4.11Å; N134-Y137 CarbonylContact O-C 3.48Å; N134-Y137 VanDerWaalsContact O-C 3.24Å; N134-Y137 PolarHBondContact O-N 3.13Å
135	P	94.1	Very high	96.2	Very high	109 Å²	109	60.2 Å²	60.2	71%	0.708	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.4	-177.1	26.3	-35.9	0	0	0	114.2
136	S	95.3	Very high	96.2	Very high	83 Å²	83	60.5 Å²	60.5	58%	0.58	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.9	172.9	-55.1	0	0	0	0	114.2	N134	N134-S136 PolarHBondContact O-N 3.42Å; N134-S136 VanDerWaalsContact O-N 3.07Å; N134-S136 WeakPolarHBondContact OD1-CB 3.36Å; N134-S136 PolarHBondContact OD1-N 2.86Å
137	Y	96.3	Very high	96.3	Very high	116 Å²	116	57.8 Å²	57.8	46%	0.455	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-140.1	68.7	-179.4	-57.2	-67.5	0	0	0	108.9	Y111 N134 Y139 F140	Y111-Y137 AromaticContact CD1-CD1 3.62Å; Y111-Y137 HydrophobicContact CD1-CD1 3.62Å; Y111-Y137 HydrophobicContact CD1-CE1 4.24Å; Y111-Y137 HydrophobicContact CD2-CD1 4.27Å; Y111-Y137 AromaticContact CE1-CD1 3.82Å; Y111-Y137 HydrophobicContact CE1-CD1 3.82Å; Y111-Y137 HydrophobicContact CE2-CD1 4.46Å; Y111-Y137 AromaticContact CG-CD1 3.85Å; Y111-Y137 HydrophobicContact CG-CD1 3.85Å; Y111-Y137 HydrophobicContact CG-CE1 4.46Å; N134-Y137 HydrophobicContact CB-CD2 4.11Å; N134-Y137 CarbonylContact O-C 3.48Å; N134-Y137 VanDerWaalsContact O-C 3.24Å; N134-Y137 PolarHBondContact O-N 3.13Å; Y137-Y139 VanDerWaalsContact C-N 3.25Å; Y137-Y139 PolarHBondContact O-N 3.42Å; Y137-F140 WeakPolarHBondContact O-CB 3.37Å; Y137-F140 PolarHBondContact O-N 3.42Å; Y137-F140 VanDerWaalsContact O-N 3.11Å
138	K	97.6	Very high	96.5	Very high	86 Å²	86	53.4 Å²	53.4	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.9	-163.9	-67.6	175	177.9	-177	0	114.1	D108 Y111 I129 N130	D108-K138 WeakPolarHBondContact OD2-CB 3.33Å; D108-K138 WeakPolarHBondContact OD2-CG 3.29Å; D108-K138 PolarHBondContact OD2-N 2.61Å; Y111-K138 PolarHBondContact OH-N 3.23Å; Y111-K138 VanDerWaalsContact OH-N 3.08Å; I129-K138 HydrophobicContact CB-CB 4.05Å; I129-K138 HydrophobicContact CD1-CG 4.4Å; I129-K138 HydrophobicContact CG2-CB 3.88Å; I129-K138 HydrophobicContact CG2-CD 4.26Å; I129-K138 HydrophobicContact CG2-CG 4.47Å; N130-K138 VanDerWaalsContact CB-O 3.29Å; N130-K138 WeakPolarHBondContact CB-O 3.22Å; N130-K138 PolarHBondContact N-O 2.87Å
139	Y	97.8	Very high	96.5	Very high	6 Å²	6	58 Å²	58	2%	0.024	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11	-177.4	-44.8	-72.2	0	0	0	112.6	P107 D108 Y111 R114 I115 L116 P126 I129 Y137 Y141	P107-Y139 HydrophobicContact CB-CE2 4.48Å; P107-Y139 HydrophobicContact CG-CD2 4.41Å; P107-Y139 HydrophobicContact CG-CE2 3.59Å; D108-Y139 HydrophobicContact CB-CE2 4.19Å; D108-Y139 WeakPolarHBondContact OD1-CD2 3.11Å; D108-Y139 WeakPolarHBondContact OD1-CE2 3.1Å; Y111-Y139 VanDerWaalsContact OH-CD2 3.31Å; Y111-Y139 WeakPolarHBondContact OH-CD2 3.35Å; Y111-Y139 PolarHBondContact OH-N 3.19Å; R114-Y139 WeakPolarHBondContact CA-O 3.2Å; I115-Y139 PolarHBondContact N-O 3.49Å; L116-Y139 HydrophobicContact CD2-CD1 3.44Å; L116-Y139 VanDerWaalsContact CD2-CD1 3.44Å; L116-Y139 HydrophobicContact CD2-CD2 4.09Å; L116-Y139 HydrophobicContact CD2-CE1 3.75Å; L116-Y139 HydrophobicContact CD2-CE2 4.41Å; L116-Y139 HydrophobicContact CD2-CG 3.62Å; P126-Y139 WeakPolarHBondContact CA-OH 3.48Å; P126-Y139 VanDerWaalsContact CB-OH 3.26Å; P126-Y139 WeakPolarHBondContact CB-OH 3.44Å; P126-Y139 PolarHBondContact O-OH 2.91Å; I129-Y139 HydrophobicContact CG2-CD1 4.45Å; I129-Y139 HydrophobicContact CG2-CE1 3.79Å; Y137-Y139 VanDerWaalsContact C-N 3.25Å; Y137-Y139 PolarHBondContact O-N 3.42Å; Y139-Y141 WeakPolarHBondContact O-CD2 3.49Å
140	F	97.8	Very high	96.5	Very high	56 Å²	56	56.6 Å²	56.6	25%	0.246	30%	0.298	C	S	.	.			trans	-90.8	109.5	179.5	-173.9	-103.2	0	0	0	110.8	A68 Y111 I112 N130 Y137 I142	A68-F140 HydrophobicContact CB-CE2 3.98Å; A68-F140 HydrophobicContact CB-CZ 3.92Å; Y111-F140 HydrophobicContact CD2-CB 4.24Å; Y111-F140 HydrophobicContact CD2-CD2 4.27Å; Y111-F140 HydrophobicContact CE2-CB 3.77Å; I112-F140 WeakPolarHBondContact O-CE2 3.35Å; N130-F140 PolarHBondContact ND2-O 2.95Å; Y137-F140 WeakPolarHBondContact O-CB 3.37Å; Y137-F140 PolarHBondContact O-N 3.42Å; Y137-F140 VanDerWaalsContact O-N 3.11Å; F140-I142 HydrophobicContact CD1-CG2 3.72Å; F140-I142 HydrophobicContact CE1-CG2 3.2Å; F140-I142 HydrophobicContact CZ-CG2 3.89Å
141	Y	97.5	Very high	96.5	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.012	30%	0.296	C	S	.	.			trans	-107	135.9	179.3	-63.5	-101.6	0	0	0	110.4	I115 I129 N130 Y139 Q146 V147	I115-Y141 HydrophobicContact CB-CD2 3.67Å; I115-Y141 HydrophobicContact CB-CE2 3.73Å; I115-Y141 HydrophobicContact CD1-CD2 3.88Å; I115-Y141 HydrophobicContact CD1-CG 4.06Å; I115-Y141 HydrophobicContact CG1-CD2 3.91Å; I115-Y141 HydrophobicContact CG1-CE2 4.47Å; I115-Y141 HydrophobicContact CG2-CE2 4.44Å; I129-Y141 VanDerWaalsContact C-OH 3.23Å; I129-Y141 PolarHBondContact O-OH 2.61Å; N130-Y141 HydrophobicContact CB-CD1 3.93Å; N130-Y141 HydrophobicContact CB-CD2 4.38Å; N130-Y141 HydrophobicContact CB-CE1 3.54Å; N130-Y141 HydrophobicContact CB-CE2 4.04Å; N130-Y141 HydrophobicContact CB-CG 4.33Å; N130-Y141 PolarHBondContact N-OH 2.87Å; Y139-Y141 WeakPolarHBondContact O-CD2 3.49Å; Y141-Q146 HydrophobicContact CD1-CB 3.74Å; Y141-Q146 HydrophobicContact CE1-CB 4.46Å; Y141-Q146 WeakPolarHBondContact CE1-O 3.45Å; Y141-V147 HydrophobicContact CD1-CG2 3.98Å; Y141-V147 HydrophobicContact CG-CG2 4.02Å
142	I	95.3	Very high	96.6	Very high	91 Å²	91	53.8 Å²	53.8	47%	0.467	28%	0.283	S	S	.	.			trans	-120.6	-8.2	-175.8	60.2	165.1	0	0	0	114.6	K75 F140 Q146	K75-I142 PolarHBondContact NZ-O 2.88Å; F140-I142 HydrophobicContact CD1-CG2 3.72Å; F140-I142 HydrophobicContact CE1-CG2 3.2Å; F140-I142 HydrophobicContact CZ-CG2 3.89Å; I142-Q146 VanDerWaalsContact CG1-OE1 3.26Å
143	S	96.6	Very high	96.7	Very high	25 Å²	25	50.1 Å²	50.1	18%	0.175	26%	0.262	C	S	.	.	S	Bend	trans	-142.9	159.7	179.9	88.9	0	0	0	0	111.1	E145 V147	S143-E145 VanDerWaalsContact C-N 3.3Å; S143-E145 WeakPolarHBondContact CB-OE2 3.46Å; S143-E145 PolarHBondContact O-N 3.37Å; S143-E145 PolarHBondContact OG-OE2 2.76Å; S143-V147 WeakPolarHBondContact O-CG2 3.36Å; S143-V147 PolarHBondContact O-N 3.14Å
144	A	96.7	Very high	96.8	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-36.5	-179.3	0	0	0	0	0	111.6	I82 Q146 V147 V148	I82-A144 HydrophobicContact CD1-CB 3.87Å; A144-Q146 PolarHBondContact O-N 3.22Å; A144-V147 WeakPolarHBondContact O-CB 3.14Å; A144-V147 PolarHBondContact O-N 3.37Å; A144-V147 VanDerWaalsContact O-N 3.13Å; A144-V148 WeakPolarHBondContact O-CG2 2.94Å; A144-V148 PolarHBondContact O-N 2.76Å
145	E	97.7	Very high	96.9	Very high	125 Å²	125	48 Å²	48	58%	0.584	24%	0.242	S	C	*	.	H	α-helix	trans	-62.8	-41.4	-178.2	-53.3	74.9	-164.7	0	0	111.4	S143 V147 V148 Q149	S143-E145 VanDerWaalsContact C-N 3.3Å; S143-E145 WeakPolarHBondContact CB-OE2 3.46Å; S143-E145 PolarHBondContact O-N 3.37Å; S143-E145 PolarHBondContact OG-OE2 2.76Å; E145-V147 VanDerWaalsContact C-N 3.35Å; E145-V148 PolarHBondContact O-N 2.8Å; E145-Q149 WeakPolarHBondContact O-CG 3.39Å; E145-Q149 PolarHBondContact O-N 3.24Å; E145-Q149 VanDerWaalsContact O-N 3.09Å
146	Q	97.8	Very high	96.8	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.121	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-43.4	174.4	-68.1	178.6	-26.8	0	0	111.2	N130 N132 Y141 I142 A144 Q149 G150	N130-Q146 VanDerWaalsContact ND2-CD 3.34Å; N130-Q146 PolarHBondContact ND2-OE1 3.15Å; N130-Q146 VanDerWaalsContact ND2-OE1 3.15Å; N132-Q146 HydrophobicContact CB-CG 4.39Å; N132-Q146 PolarHBondContact O-NE2 3.09Å; Y141-Q146 HydrophobicContact CD1-CB 3.74Å; Y141-Q146 HydrophobicContact CE1-CB 4.46Å; Y141-Q146 WeakPolarHBondContact CE1-O 3.45Å; I142-Q146 VanDerWaalsContact CG1-OE1 3.26Å; A144-Q146 PolarHBondContact O-N 3.22Å; Q146-Q149 PolarHBondContact O-N 3.32Å; Q146-G150 PolarHBondContact O-N 2.04Å; Q146-G150 VanDerWaalsContact O-N 3.16Å
147	V	98.1	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-45.7	178.1	176.6	0	0	0	0	110.7	M58 F76 I82 I115 Y141 S143 A144 E145 Q149 G150 M151	M58-V147 HydrophobicContact CE-CG1 3.48Å; M58-V147 VanDerWaalsContact CE-CG1 3.48Å; F76-V147 HydrophobicContact CD2-CG1 4.16Å; F76-V147 HydrophobicContact CD2-CG2 4.41Å; F76-V147 HydrophobicContact CE2-CG1 3.71Å; I82-V147 HydrophobicContact CD1-CB 3.94Å; I82-V147 HydrophobicContact CD1-CG1 3.83Å; I82-V147 HydrophobicContact CG1-CG1 4.3Å; I115-V147 HydrophobicContact CD1-CG1 4.32Å; I115-V147 HydrophobicContact CD1-CG2 3.76Å; Y141-V147 HydrophobicContact CD1-CG2 3.98Å; Y141-V147 HydrophobicContact CG-CG2 4.02Å; S143-V147 WeakPolarHBondContact O-CG2 3.36Å; S143-V147 PolarHBondContact O-N 3.14Å; A144-V147 WeakPolarHBondContact O-CB 3.14Å; A144-V147 PolarHBondContact O-N 3.37Å; A144-V147 VanDerWaalsContact O-N 3.13Å; E145-V147 VanDerWaalsContact C-N 3.35Å; V147-Q149 VanDerWaalsContact C-N 3.31Å; V147-Q149 PolarHBondContact O-N 3.26Å; V147-G150 PolarHBondContact O-N 3.16Å; V147-G150 VanDerWaalsContact O-N 3.17Å; V147-M151 HydrophobicContact CG1-CG 4.23Å; V147-M151 HydrophobicContact CG1-SD 3.95Å; V147-M151 WeakPolarHBondContact O-CG 3.1Å; V147-M151 PolarHBondContact O-N 3.08Å
148	V	98.3	Very high	96.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-42.7	175.8	163.5	0	0	0	0	111.9	E81 I82 L85 A144 E145 M151 K152	E81-V148 HydrophobicContact CB-CG2 4.11Å; E81-V148 VanDerWaalsContact CD-CG1 3.44Å; E81-V148 HydrophobicContact CG-CG1 3.98Å; E81-V148 HydrophobicContact CG-CG2 3.9Å; I82-V148 HydrophobicContact CD1-CG2 4.44Å; I82-V148 HydrophobicContact CG1-CG2 3.65Å; L85-V148 HydrophobicContact CD1-CB 4.45Å; L85-V148 HydrophobicContact CD1-CG1 4.07Å; L85-V148 HydrophobicContact CD1-CG2 4.37Å; A144-V148 WeakPolarHBondContact O-CG2 2.94Å; A144-V148 PolarHBondContact O-N 2.76Å; E145-V148 PolarHBondContact O-N 2.8Å; V148-M151 PolarHBondContact O-N 3.23Å; V148-K152 HydrophobicContact CG1-CD 4.03Å; V148-K152 WeakPolarHBondContact O-CG 3.4Å; V148-K152 PolarHBondContact O-N 2.9Å
149	Q	97.9	Very high	95.9	Very high	96 Å²	96	43.1 Å²	43.1	45%	0.449	20%	0.204	S	C	.	.	H	α-helix	trans	-63.8	-46.2	176.6	-63.4	-48.5	-59.8	0	0	111.5	E145 Q146 V147 M151 K152 E153	E145-Q149 WeakPolarHBondContact O-CG 3.39Å; E145-Q149 PolarHBondContact O-N 3.24Å; E145-Q149 VanDerWaalsContact O-N 3.09Å; Q146-Q149 PolarHBondContact O-N 3.32Å; V147-Q149 VanDerWaalsContact C-N 3.31Å; V147-Q149 PolarHBondContact O-N 3.26Å; Q149-M151 VanDerWaalsContact C-N 3.35Å; Q149-M151 PolarHBondContact O-N 3.38Å; Q149-K152 PolarHBondContact O-N 3.24Å; Q149-E153 PolarHBondContact O-N 3.19Å
150	G	97.8	Very high	94.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-42	176.2	0	0	0	0	0	112.8	F117 Q146 V147 E153 A154	F117-G150 VanDerWaalsContact CZ-C 3.44Å; Q146-G150 PolarHBondContact O-N 2.04Å; Q146-G150 VanDerWaalsContact O-N 3.16Å; V147-G150 PolarHBondContact O-N 3.16Å; V147-G150 VanDerWaalsContact O-N 3.17Å; G150-E153 PolarHBondContact O-N 2.99Å; G150-A154 VanDerWaalsContact O-CB 3.24Å; G150-A154 WeakPolarHBondContact O-CB 3.38Å; G150-A154 PolarHBondContact O-N 3.27Å
151	M	97.9	Very high	92.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-41.5	174.8	-70.3	177.7	85.9	0	0	112	M58 I82 L85 F89 M91 F117 V147 V148 Q149 Q155	M58-M151 HydrophobicContact CE-CG 3.94Å; M58-M151 HydrophobicContact CE-SD 4.02Å; M58-M151 HydrophobicContact SD-CE 3.7Å; M58-M151 HydrophobicContact SD-CG 3.73Å; M58-M151 HydrophobicContact SD-SD 3.81Å; I82-M151 HydrophobicContact CB-SD 4.46Å; I82-M151 HydrophobicContact CG1-SD 4.29Å; I82-M151 HydrophobicContact CG2-CE 4.47Å; I82-M151 HydrophobicContact CG2-SD 4.05Å; L85-M151 HydrophobicContact CB-CB 4.48Å; L85-M151 HydrophobicContact CB-CE 3.55Å; L85-M151 HydrophobicContact CB-SD 4.14Å; L85-M151 HydrophobicContact CD1-CB 3.99Å; L85-M151 HydrophobicContact CD1-SD 4.41Å; F89-M151 HydrophobicContact CD2-CE 3.95Å; F89-M151 HydrophobicContact CE2-CB 4.16Å; F89-M151 HydrophobicContact CE2-CE 4.25Å; F89-M151 HydrophobicContact CZ-CB 4.44Å; F89-M151 VanDerWaalsContact CZ-O 3.24Å; F89-M151 WeakPolarHBondContact CZ-O 3.24Å; M91-M151 HydrophobicContact CE-CE 4.46Å; M91-M151 HydrophobicContact SD-CE 4.43Å; F117-M151 HydrophobicContact CE1-CG 4.02Å; F117-M151 HydrophobicContact CZ-CG 4.08Å; V147-M151 HydrophobicContact CG1-CG 4.23Å; V147-M151 HydrophobicContact CG1-SD 3.95Å; V147-M151 WeakPolarHBondContact O-CG 3.1Å; V147-M151 PolarHBondContact O-N 3.08Å; V148-M151 PolarHBondContact O-N 3.23Å; Q149-M151 VanDerWaalsContact C-N 3.35Å; Q149-M151 PolarHBondContact O-N 3.38Å; M151-Q155 VanDerWaalsContact O-CB 3.28Å; M151-Q155 WeakPolarHBondContact O-CB 3.26Å; M151-Q155 PolarHBondContact O-N 3.44Å
152	K	96.9	Very high	91.2	Very high	78 Å²	78	45.7 Å²	45.7	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-45.7	177.7	-75	171.4	179.4	172.1	0	112.1	E81 L85 V148 Q149 Q155 E156	E81-K152 WeakPolarHBondContact OE1-CE 3.28Å; E81-K152 IonicContact OE1-NZ 2.92Å; E81-K152 PolarHBondContact OE1-NZ 3.04Å; L85-K152 HydrophobicContact CD1-CG 4.13Å; L85-K152 HydrophobicContact CD2-CG 4.32Å; V148-K152 HydrophobicContact CG1-CD 4.03Å; V148-K152 WeakPolarHBondContact O-CG 3.4Å; V148-K152 PolarHBondContact O-N 2.9Å; Q149-K152 PolarHBondContact O-N 3.24Å; K152-Q155 PolarHBondContact O-N 2.97Å; K152-E156 PolarHBondContact O-N 3.13Å
153	E	96.3	Very high	89.6	Confident	39 Å²	39	48.9 Å²	48.9	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-44.1	176.4	-178	176.8	-176.8	0	0	111.9	I128 Q149 G150 E156 R157	I128-E153 HydrophobicContact CG2-CG 4.26Å; Q149-E153 PolarHBondContact O-N 3.19Å; G150-E153 PolarHBondContact O-N 2.99Å; E153-E156 PolarHBondContact O-N 3.36Å; E153-R157 PolarHBondContact O-N 3.08Å; E153-R157 IonicContact OE1-CZ 3.19Å; E153-R157 IonicContact OE1-NE 2.9Å; E153-R157 IonicContact OE1-NH1 3.39Å; E153-R157 PolarHBondContact OE1-NH1 3.29Å; E153-R157 IonicContact OE1-NH2 2.69Å; E153-R157 PolarHBondContact OE1-NH2 3.38Å
154	A	96.5	Very high	88	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-40.9	175.9	0	0	0	0	0	112.4	F89 F117 I128 G150 L158	F89-A154 HydrophobicContact CE1-CB 3.91Å; F89-A154 HydrophobicContact CZ-CB 3.93Å; F117-A154 HydrophobicContact CB-CB 3.82Å; F117-A154 HydrophobicContact CD1-CB 3.36Å; F117-A154 HydrophobicContact CD2-CB 3.96Å; F117-A154 HydrophobicContact CE1-CB 3.84Å; F117-A154 HydrophobicContact CE2-CB 4.39Å; F117-A154 HydrophobicContact CG-CB 3.42Å; F117-A154 VanDerWaalsContact CG-CB 3.42Å; F117-A154 HydrophobicContact CZ-CB 4.33Å; I128-A154 HydrophobicContact CD1-CB 4.15Å; I128-A154 HydrophobicContact CG2-CB 4.25Å; G150-A154 VanDerWaalsContact O-CB 3.24Å; G150-A154 WeakPolarHBondContact O-CB 3.38Å; G150-A154 PolarHBondContact O-N 3.27Å; A154-L158 HydrophobicContact CB-CD1 4.2Å; A154-L158 VanDerWaalsContact O-CB 3.23Å; A154-L158 WeakPolarHBondContact O-CB 3.38Å; A154-L158 VanDerWaalsContact O-CG 3.32Å; A154-L158 WeakPolarHBondContact O-CG 3.02Å; A154-L158 PolarHBondContact O-N 2.57Å
155	Q	94.6	Very high	86.3	Confident	57 Å²	57	59.4 Å²	59.4	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-45.8	177.2	-173.2	-179.8	16	0	0	110.8	N88 F89 M151 K152 T159	N88-Q155 HydrophobicContact CB-CG 4.45Å; N88-Q155 PolarHBondContact OD1-NE2 3.09Å; F89-Q155 HydrophobicContact CE2-CB 4.16Å; F89-Q155 HydrophobicContact CZ-CB 3.93Å; M151-Q155 VanDerWaalsContact O-CB 3.28Å; M151-Q155 WeakPolarHBondContact O-CB 3.26Å; M151-Q155 PolarHBondContact O-N 3.44Å; K152-Q155 PolarHBondContact O-N 2.97Å; Q155-T159 WeakPolarHBondContact O-CB 2.9Å; Q155-T159 PolarHBondContact O-N 3.46Å; Q155-T159 PolarHBondContact O-OG1 2.78Å
156	E	93.3	Very high	84.6	Confident	159 Å²	159	59.6 Å²	59.6	74%	0.743	28%	0.277	S	S	*	.	H	α-helix	trans	-64.1	-49.3	179.6	-174.9	175.5	-175.9	0	0	112.1	K152 E153 G160	K152-E156 PolarHBondContact O-N 3.13Å; E153-E156 PolarHBondContact O-N 3.36Å; E156-G160 PolarHBondContact O-N 2.88Å
157	R	93.1	Very high	83.1	Confident	94 Å²	94	64 Å²	64	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-69.5	-59.2	-178.6	-69.1	-171	-177.7	158	14	112.2	E127 E153 G160 D161	E127-R157 PolarHBondContact O-NH1 2.99Å; E127-R157 VanDerWaalsContact O-NH1 3.17Å; E153-R157 PolarHBondContact O-N 3.08Å; E153-R157 IonicContact OE1-CZ 3.19Å; E153-R157 IonicContact OE1-NE 2.9Å; E153-R157 IonicContact OE1-NH1 3.39Å; E153-R157 PolarHBondContact OE1-NH1 3.29Å; E153-R157 IonicContact OE1-NH2 2.69Å; E153-R157 PolarHBondContact OE1-NH2 3.38Å; R157-G160 PolarHBondContact O-N 2.77Å; R157-D161 PolarHBondContact O-N 3.09Å
158	L	91.8	Very high	81.7	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-74.2	-34.3	-165.7	-54.7	178.2	0	0	0	112.6	P56 F117 D119 H125 I128 A154 A162	P56-L158 HydrophobicContact CB-CB 3.84Å; P56-L158 HydrophobicContact CB-CD1 3.88Å; P56-L158 HydrophobicContact CG-CB 4.38Å; F117-L158 HydrophobicContact CB-CD1 3.9Å; D119-L158 HydrophobicContact CB-CD2 4.39Å; H125-L158 HydrophobicContact CB-CD2 4.05Å; I128-L158 HydrophobicContact CD1-CD1 3.86Å; I128-L158 HydrophobicContact CD1-CD2 3.91Å; I128-L158 HydrophobicContact CD1-CG 3.85Å; A154-L158 HydrophobicContact CB-CD1 4.2Å; A154-L158 VanDerWaalsContact O-CB 3.23Å; A154-L158 WeakPolarHBondContact O-CB 3.38Å; A154-L158 VanDerWaalsContact O-CG 3.32Å; A154-L158 WeakPolarHBondContact O-CG 3.02Å; A154-L158 PolarHBondContact O-N 2.57Å; L158-A162 WeakPolarHBondContact O-CB 3.44Å; L158-A162 PolarHBondContact O-N 3.49Å; L158-A162 VanDerWaalsContact O-N 3.12Å
159	T	83.4	Confident	80.3	Confident	36 Å²	36	74.8 Å²	74.8	22%	0.221	35%	0.351	C	S	.	.	H	α-helix	trans	-71	-40.9	172.3	-36.2	0	0	0	0	110.5	Q155 D161 A162 F163	Q155-T159 WeakPolarHBondContact O-CB 2.9Å; Q155-T159 PolarHBondContact O-N 3.46Å; Q155-T159 PolarHBondContact O-OG1 2.78Å; T159-D161 PolarHBondContact O-N 3Å; T159-A162 PolarHBondContact O-N 3.3Å; T159-F163 HydrophobicContact CG2-CD2 4.23Å; T159-F163 HydrophobicContact CG2-CE2 3.95Å; T159-F163 VanDerWaalsContact O-CD2 3.24Å; T159-F163 WeakPolarHBondContact O-CD2 3.19Å; T159-F163 PolarHBondContact O-N 3.38Å; T159-F163 VanDerWaalsContact O-N 3.11Å
160	G	70.1	Confident	78.9	Confident	20 Å²	20	76 Å²	76	21%	0.206	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-39.9	177.2	0	0	0	0	0	113.4	E156 R157 F163 R164	E156-G160 PolarHBondContact O-N 2.88Å; R157-G160 PolarHBondContact O-N 2.77Å; G160-F163 PolarHBondContact O-N 2.86Å; G160-R164 WeakPolarHBondContact O-CG 3.42Å; G160-R164 PolarHBondContact O-N 3.08Å; G160-R164 VanDerWaalsContact O-N 3.08Å
161	D	63.1	Low	77.2	Confident	69 Å²	69	82.9 Å²	82.9	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-69.5	-37	174.6	-79.8	-44.8	0	0	0	112.8	R157 T159 F163 R164 K165	R157-D161 PolarHBondContact O-N 3.09Å; T159-D161 PolarHBondContact O-N 3Å; D161-F163 VanDerWaalsContact C-N 3.35Å; D161-F163 PolarHBondContact O-N 3.28Å; D161-R164 PolarHBondContact O-N 2.83Å; D161-R164 IonicContact OD1-CZ 3.92Å; D161-R164 IonicContact OD1-NE 3.86Å; D161-R164 PolarHBondContact OD1-NE 3.44Å; D161-R164 IonicContact OD1-NH2 3.62Å; D161-R164 PolarHBondContact OD1-NH2 3.48Å; D161-R164 IonicContact OD2-NH2 2.74Å; D161-R164 PolarHBondContact OD2-NH2 3.12Å; D161-K165 WeakPolarHBondContact O-CB 3.39Å; D161-K165 PolarHBondContact O-N 2.9Å
162	A	61.6	Low	75.1	Confident	31 Å²	31	92.9 Å²	92.9	26%	0.256	45%	0.445	S	S	.	.	H	α-helix	trans	-59.8	-43.8	173.1	0	0	0	0	0	111.9	P120 L158 T159 K166	P120-A162 HydrophobicContact CG-CB 4.08Å; L158-A162 WeakPolarHBondContact O-CB 3.44Å; L158-A162 PolarHBondContact O-N 3.49Å; L158-A162 VanDerWaalsContact O-N 3.12Å; T159-A162 PolarHBondContact O-N 3.3Å; A162-K166 WeakPolarHBondContact O-CB 3.3Å; A162-K166 PolarHBondContact O-N 2.84Å
163	F	61.3	Low	74	Confident	157 Å²	157	93.7 Å²	93.7	69%	0.689	45%	0.45	S	S	*	.	H	α-helix	trans	-62.5	-44.6	173.7	-82.7	-69.5	0	0	0	112.7	T159 G160 D161 H167	T159-F163 HydrophobicContact CG2-CD2 4.23Å; T159-F163 HydrophobicContact CG2-CE2 3.95Å; T159-F163 VanDerWaalsContact O-CD2 3.24Å; T159-F163 WeakPolarHBondContact O-CD2 3.19Å; T159-F163 PolarHBondContact O-N 3.38Å; T159-F163 VanDerWaalsContact O-N 3.11Å; G160-F163 PolarHBondContact O-N 2.86Å; D161-F163 VanDerWaalsContact C-N 3.35Å; D161-F163 PolarHBondContact O-N 3.28Å; F163-H167 PolarHBondContact O-N 2.84Å
164	R	63.1	Low	72.8	Confident	140 Å²	140	96.5 Å²	96.5	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-61.4	-48.7	177.7	-76.5	-174.8	-76.6	-93.3	10.3	112	G160 D161 H167 L168	G160-R164 WeakPolarHBondContact O-CG 3.42Å; G160-R164 PolarHBondContact O-N 3.08Å; G160-R164 VanDerWaalsContact O-N 3.08Å; D161-R164 PolarHBondContact O-N 2.83Å; D161-R164 IonicContact OD1-CZ 3.92Å; D161-R164 IonicContact OD1-NE 3.86Å; D161-R164 PolarHBondContact OD1-NE 3.44Å; D161-R164 IonicContact OD1-NH2 3.62Å; D161-R164 PolarHBondContact OD1-NH2 3.48Å; D161-R164 IonicContact OD2-NH2 2.74Å; D161-R164 PolarHBondContact OD2-NH2 3.12Å; R164-H167 PolarHBondContact O-N 2.81Å; R164-L168 PolarHBondContact O-N 2.78Å
165	K	62.3	Low	71.5	Confident	116 Å²	116	101.9 Å²	101.9	50%	0.504	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-42	-176.2	-170.1	179	177.6	-168.3	0	111.9	D161 H167 L168 E169	D161-K165 WeakPolarHBondContact O-CB 3.39Å; D161-K165 PolarHBondContact O-N 2.9Å; K165-H167 VanDerWaalsContact C-N 3.33Å; K165-H167 PolarHBondContact O-N 2.82Å; K165-L168 PolarHBondContact O-N 2.92Å; K165-E169 WeakPolarHBondContact CE-OE1 3.4Å; K165-E169 IonicContact NZ-OE1 2.78Å; K165-E169 WeakPolarHBondContact O-CG 3.33Å; K165-E169 PolarHBondContact O-N 2.86Å
166	K	62	Low	70.1	Confident	130 Å²	130	104.5 Å²	104.5	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-59.2	-43.2	175	-176.3	174	179.8	176.9	0	112.3	A162 L168 E169 D170	A162-K166 WeakPolarHBondContact O-CB 3.3Å; A162-K166 PolarHBondContact O-N 2.84Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 2.82Å; K166-E169 PolarHBondContact O-N 2.83Å; K166-D170 PolarHBondContact O-N 3.09Å
167	H	65.7	Low	68.7	Low	119 Å²	119	101.1 Å²	101.1	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-62.3	-39.5	177.6	-158.6	95.6	0	0	0	112.4	F163 R164 K165 D170 E171	F163-H167 PolarHBondContact O-N 2.84Å; R164-H167 PolarHBondContact O-N 2.81Å; K165-H167 VanDerWaalsContact C-N 3.33Å; K165-H167 PolarHBondContact O-N 2.82Å; H167-D170 PolarHBondContact O-N 3.07Å; H167-E171 IonicContact CD2-OE2 3.77Å; H167-E171 IonicContact NE2-OE1 2.63Å; H167-E171 WeakPolarHBondContact O-CG 3.44Å; H167-E171 PolarHBondContact O-N 3.03Å
168	L	68.4	Low	67	Low	109 Å²	109	101.6 Å²	101.6	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-67.3	-32.9	175.9	-76.8	156.9	0	0	0	113.1	R164 K165 K166	R164-L168 PolarHBondContact O-N 2.78Å; K165-L168 PolarHBondContact O-N 2.92Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 2.82Å
169	E	68.6	Low	65.3	Low	118 Å²	118	108.7 Å²	108.7	55%	0.551	53%	0.532	S	S	*	.	H	α-helix	trans	-77.9	-30.4	177.1	-71.4	172.8	176.9	0	0	112.4	K165 K166 E171	K165-E169 WeakPolarHBondContact CE-OE1 3.4Å; K165-E169 IonicContact NZ-OE1 2.78Å; K165-E169 WeakPolarHBondContact O-CG 3.33Å; K165-E169 PolarHBondContact O-N 2.86Å; K166-E169 PolarHBondContact O-N 2.83Å; E169-E171 VanDerWaalsContact C-N 3.32Å
170	D	68.3	Low	63.9	Low	121 Å²	121	114.3 Å²	114.3	65%	0.647	56%	0.555	S	S	*	*	H	α-helix	trans	-76.9	-12.3	175.7	-71.8	-28.6	0	0	0	113.3	K166 H167	K166-D170 PolarHBondContact O-N 3.09Å; H167-D170 PolarHBondContact O-N 3.07Å
171	E	62.2	Low	63.4	Low	145 Å²	145	122.2 Å²	122.2	68%	0.678	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	0.3	179.2	-76.2	-167.7	139.1	0	0	115	H167 E169	H167-E171 IonicContact CD2-OE2 3.77Å; H167-E171 IonicContact NE2-OE1 2.63Å; H167-E171 WeakPolarHBondContact O-CG 3.44Å; H167-E171 PolarHBondContact O-N 3.03Å; E169-E171 VanDerWaalsContact C-N 3.32Å
172	L	53.8	Low	63.4	Low	211 Å²	211	127 Å²	127	100%	1.105	60%	0.604	S	S	*	*			trans	-108.3	0	-173.5	-92	164.4	0	0	0	114.7

Retrieved 172 of 172 residues in 36.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).