A0A024QZI2_HUMAN Loading...

IgG receptor FcRn large subunit p51

Cell surface receptor that transfers passive humoral immunity from the mother to the newborn. Binds to the Fc region of monomeric immunoglobulin gamma and mediates its selective uptake from milk. IgG in the milk is bound at the apical surface of the intestinal epithelium. The resultant FcRn-IgG complexes are transcytosed across the intestinal epithelium and IgG is released from FcRn into blood or tissue fluids. Throughout life, contributes to effective humoral immunity by recycling IgG and extending its half-life in the circulation. Mechanistically, monomeric IgG binding to FcRn in acidic endosomes of endothelial and hematopoietic cells recycles IgG to the cell surface where it is released into the circulation. In addition of IgG, regulates homeostasis of the other most abundant circulating protein albumin/ALB.

AlphaFold DB (P55899), UniProt , Accession A0A024QZI2, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 365 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	45.3	Very low	43.9	Very low	254 Å²	254	161.1 Å²	161.1	100%	1.251	87%	0.873	S	S	*	*				0	116.9	0	-72.2	-174.6	-90.3	0	0	107.2
2	G	58.3	Low	43.1	Very low	80 Å²	80	153.5 Å²	153.5	83%	0.825	86%	0.86	S	S	*	*			trans	125	75.8	-179.6	0	0	0	0	0	114.2
3	V	42.1	Very low	42.8	Very low	137 Å²	137	153.2 Å²	153.2	83%	0.83	85%	0.854	S	S	*	*			trans	-121.3	161	169	-174.1	0	0	0	0	105.1
4	P	51.3	Low	42.1	Very low	106 Å²	106	152.8 Å²	152.8	69%	0.688	85%	0.848	S	S	*	*				-124.3	-173.5	-58.8	38.1	-20.8	0	0	0	110.2
5	R	46.2	Very low	41.9	Very low	248 Å²	248	151.9 Å²	151.9	94%	0.936	84%	0.841	S	S	*	*			trans	-166.3	113.7	144	-112	175.5	-168.3	-177.5	3.9	112.3
6	P	40.5	Very low	41.5	Very low	118 Å²	118	152.6 Å²	152.6	77%	0.766	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-86.7	130.8	160	32.8	-24.5	0	0	0	108.4
7	Q	44.2	Very low	41.4	Very low	189 Å²	189	153.3 Å²	153.3	88%	0.883	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-98.2	138.3	178.2	-159.6	162	-25.5	0	0	110.1
8	P	41.3	Very low	41.1	Very low	113 Å²	113	152.7 Å²	152.7	73%	0.734	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-97.3	173	-156	30.2	-16.6	0	0	0	113.6
9	W	36.9	Very low	40.7	Very low	252 Å²	252	151 Å²	151	96%	0.955	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-62.8	167.8	179.7	-60.5	6.6	0	0	0	114.2
10	A	35.3	Very low	40.2	Very low	96 Å²	96	146.7 Å²	146.7	79%	0.793	82%	0.819	S	S	*	*			trans	88.4	101.6	150.8	0	0	0	0	0	118
11	L	41.6	Very low	39.7	Very low	179 Å²	179	145.1 Å²	145.1	94%	0.937	82%	0.818	S	S	*	*			trans	-163.6	95.9	139.6	-92	160.6	0	0	0	103
12	G	34	Very low	38.9	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	80%	0.8	S	S	*	*			cis	87.2	66.1	49.4	0	0	0	0	0	109.2
13	L	39.3	Very low	37.5	Very low	150 Å²	150	139.9 Å²	139.9	79%	0.785	79%	0.789	S	S	*	*			trans	-143	78.4	165.2	-116.8	129.4	0	0	0	109.3	L15	L13-L15 HydrophobicContact CD2-CD1 3.74Å; L13-L15 HydrophobicContact CD2-CG 4.25Å; L13-L15 PolarHBondContact O-N 2.77Å
14	L	33.7	Very low	37	Very low	147 Å²	147	137.5 Å²	137.5	77%	0.77	78%	0.784	S	S	*	*			trans	-67.8	98	156.4	-111.2	86.6	0	0	0	106.9	F16	L14-F16 VanDerWaalsContact C-N 3.34Å; L14-F16 HydrophobicContact CB-CD2 4.37Å; L14-F16 HydrophobicContact CD2-CD2 3.78Å; L14-F16 HydrophobicContact CD2-CE2 3.3Å; L14-F16 HydrophobicContact CD2-CZ 3.94Å; L14-F16 PolarHBondContact O-N 3.41Å
15	L	38	Very low	36.4	Very low	140 Å²	140	140.4 Å²	140.4	73%	0.733	79%	0.788	S	S	*	*			trans	-83.6	90	158.7	-103.1	145	0	0	0	106.8	L13 L17	L13-L15 HydrophobicContact CD2-CD1 3.74Å; L13-L15 HydrophobicContact CD2-CG 4.25Å; L13-L15 PolarHBondContact O-N 2.77Å; L15-L17 PolarHBondContact O-N 2.9Å
16	F	36.2	Very low	36.7	Very low	162 Å²	162	133 Å²	133	71%	0.711	77%	0.774	S	S	*	*			trans	-55.5	102.4	161.3	-92	-86	0	0	0	107.9	L14 L18	L14-F16 VanDerWaalsContact C-N 3.34Å; L14-F16 HydrophobicContact CB-CD2 4.37Å; L14-F16 HydrophobicContact CD2-CD2 3.78Å; L14-F16 HydrophobicContact CD2-CE2 3.3Å; L14-F16 HydrophobicContact CD2-CZ 3.94Å; L14-F16 PolarHBondContact O-N 3.41Å; F16-L18 PolarHBondContact O-N 2.81Å
17	L	40.1	Very low	38.1	Very low	165 Å²	165	131.9 Å²	131.9	86%	0.864	76%	0.758	S	S	*	*			trans	-70.5	84.5	159.5	-71.8	167.8	0	0	0	106.6	L15	L15-L17 PolarHBondContact O-N 2.9Å
18	L	35.7	Very low	40.1	Very low	143 Å²	143	124.1 Å²	124.1	75%	0.749	72%	0.723	S	S	*	*			trans	-53.1	132.9	159.5	-79.6	155.3	0	0	0	107.1	F16 G20	F16-L18 PolarHBondContact O-N 2.81Å; L18-G20 PolarHBondContact O-N 2.89Å
19	P	33.1	Very low	42.6	Very low	120 Å²	120	119.8 Å²	119.8	78%	0.779	70%	0.695	S	S	*	*			trans	-65.6	97.4	167.9	28.1	-28.2	0	0	0	105.3	S21	P19-S21 PolarHBondContact O-N 3.45Å
20	G	31.4	Very low	45.5	Very low	65 Å²	65	107.8 Å²	107.8	67%	0.67	65%	0.65	S	S	*	*			trans	-60.9	93	165.4	0	0	0	0	0	106.4	L18 L22	L18-G20 PolarHBondContact O-N 2.89Å; G20-L22 PolarHBondContact O-N 3.29Å
21	S	28.2	Very low	48.5	Very low	114 Å²	114	105.1 Å²	105.1	80%	0.797	62%	0.622	S	S	*	*			trans	-61.2	70.8	156.9	57.2	0	0	0	0	107.5	P19 G23	P19-S21 PolarHBondContact O-N 3.45Å; S21-G23 PolarHBondContact O-N 3.14Å
22	L	30.5	Very low	51.2	Low	165 Å²	165	96.6 Å²	96.6	86%	0.864	58%	0.578	S	S	*	*			trans	-75.8	80.4	150.2	-81.5	147.2	0	0	0	103.8	G20 A24	G20-L22 PolarHBondContact O-N 3.29Å; L22-A24 PolarHBondContact O-N 3.49Å
23	G	28	Very low	54.3	Low	59 Å²	59	96.9 Å²	96.9	61%	0.608	56%	0.56	S	S	*	*			trans	-50.2	109.5	146.9	0	0	0	0	0	104.1	S21 E25	S21-G23 PolarHBondContact O-N 3.14Å; G23-E25 PolarHBondContact O-N 3.17Å
24	A	32.4	Very low	57.2	Low	86 Å²	86	89.8 Å²	89.8	71%	0.711	52%	0.523	S	S	*	.			trans	-57.9	93.6	152.3	0	0	0	0	0	103.2	L22 S26	L22-A24 PolarHBondContact O-N 3.49Å; A24-S26 PolarHBondContact O-N 3.39Å
25	E	38.9	Very low	60.3	Low	168 Å²	168	83.6 Å²	83.6	79%	0.785	49%	0.491	S	S	*	.			trans	-56.5	82.9	143.8	-83.5	-179.6	154.3	0	0	102.9	G23 H27	G23-E25 PolarHBondContact O-N 3.17Å; E25-H27 VanDerWaalsContact C-N 3.31Å; E25-H27 PolarHBondContact O-CD2 2.72Å; E25-H27 VanDerWaalsContact O-CD2 3.23Å; E25-H27 PolarHBondContact O-N 3.29Å
26	S	50.7	Low	63.1	Low	91 Å²	91	76.9 Å²	76.9	64%	0.636	46%	0.456	S	S	*	.			trans	-64.9	104.3	175.1	54.6	0	0	0	0	103.1	A24 L28	A24-S26 PolarHBondContact O-N 3.39Å; S26-L28 VanDerWaalsContact C-N 3.32Å; S26-L28 PolarHBondContact O-N 2.91Å
27	H	70.5	Confident	66.1	Low	95 Å²	95	70.5 Å²	70.5	44%	0.44	43%	0.43	S	S	.	.			trans	-55.4	104.3	174.4	-65.9	-166.9	0	0	0	106.6	E25 S29 E120	E25-H27 VanDerWaalsContact C-N 3.31Å; E25-H27 PolarHBondContact O-CD2 2.72Å; E25-H27 VanDerWaalsContact O-CD2 3.23Å; E25-H27 PolarHBondContact O-N 3.29Å; H27-S29 PolarHBondContact O-N 3.22Å; H27-E120 HydrophobicContact CB-CG 3.65Å; H27-E120 WeakPolarHBondContact CB-OE1 3.46Å; H27-E120 IonicContact CG-OE1 3.61Å; H27-E120 VanDerWaalsContact CG-OE1 3.31Å; H27-E120 IonicContact ND1-OE1 2.73Å; H27-E120 PolarHBondContact ND1-OE1 3.2Å
28	L	86.9	Confident	68.7	Low	26 Å²	26	64.8 Å²	64.8	14%	0.136	40%	0.404	C	S	.	.			trans	-74.1	122.8	-175.7	-171.9	72.3	0	0	0	107.1	S26 L186 L190 L197	S26-L28 VanDerWaalsContact C-N 3.32Å; S26-L28 PolarHBondContact O-N 2.91Å; L28-L186 HydrophobicContact CB-CD1 4.39Å; L28-L186 HydrophobicContact CD2-CD1 3.73Å; L28-L186 HydrophobicContact CG-CD1 3.98Å; L28-L186 WeakPolarHBondContact O-CD2 3.5Å; L28-L190 HydrophobicContact CD2-CD2 3.55Å; L28-L190 HydrophobicContact CD2-CG 3.98Å; L28-L197 HydrophobicContact CD1-CD2 4.01Å; L28-L197 HydrophobicContact CD2-CD1 3.5Å; L28-L197 HydrophobicContact CD2-CD2 3.84Å; L28-L197 HydrophobicContact CD2-CG 4.27Å
29	S	94.1	Very high	71.5	Confident	23 Å²	23	61.9 Å²	61.9	16%	0.161	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.6	176.1	-38.3	0	0	0	0	109.7	H27 G54 C119 E120	H27-S29 PolarHBondContact O-N 3.22Å; S29-G54 PolarHBondContact O-N 3.5Å; S29-C119 CarbonylContact C-O 3.56Å; S29-C119 WeakPolarHBondContact CA-O 3.37Å; S29-E120 PolarHBondContact OG-OE2 2.65Å
30	L	97.5	Very high	74.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	112	164.3	171.6	58.2	0	0	0	107.7	Y32 W52 L53 Y58 G118 C119 C182 R185 L186	L30-Y32 HydrophobicContact CD1-CE2 3.99Å; L30-Y32 HydrophobicContact CD2-CE2 4.04Å; L30-Y32 HydrophobicContact CG-CE2 3.76Å; L30-W52 WeakPolarHBondContact CA-O 3.24Å; L30-L53 HydrophobicContact CB-CD2 4.14Å; L30-L53 HydrophobicContact CD1-CD2 3.88Å; L30-L53 HydrophobicContact CD1-CG 4.26Å; L30-L53 HydrophobicContact CG-CD2 4.49Å; L30-Y58 HydrophobicContact CD1-CD1 4.17Å; L30-Y58 HydrophobicContact CD1-CE1 3.33Å; L30-G118 CarbonylContact O-C 3.59Å; L30-G118 WeakPolarHBondContact O-CA 3.22Å; L30-C119 PolarHBondContact N-O 3.42Å; L30-C119 PolarHBondContact O-N 2.97Å; L30-C182 WeakPolarHBondContact CD2-O 3.3Å; L30-R185 HydrophobicContact CD2-CB 3.75Å; L30-L186 HydrophobicContact CB-CB 4.02Å; L30-L186 HydrophobicContact CB-CD1 4.12Å; L30-L186 HydrophobicContact CB-CD2 4.19Å; L30-L186 HydrophobicContact CB-CG 4.34Å; L30-L186 HydrophobicContact CD2-CB 4.2Å
31	L	98.3	Very high	77.5	Confident	40 Å²	40	58.2 Å²	58.2	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135	-176	-65.6	174.5	0	0	0	111.1	G51 W52 L116	L31-G51 CarbonylContact O-C 3.53Å; L31-G51 WeakPolarHBondContact O-CA 3.47Å; L31-W52 PolarHBondContact N-O 3.45Å; L31-W52 PolarHBondContact O-N 2.97Å; L31-L116 HydrophobicContact CB-CD1 4.12Å; L31-L116 HydrophobicContact CD1-CD1 4.35Å; L31-L116 HydrophobicContact CD2-CD1 4.25Å; L31-L116 HydrophobicContact CD2-CG 4.48Å; L31-L116 HydrophobicContact CG-CD1 4.48Å
32	Y	98.8	Very high	80.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.2	174	-62.1	-102.5	0	0	0	108	L30 L34 V49 Y58 L59 E87 L91 L117 F177 R185	L30-Y32 HydrophobicContact CD1-CE2 3.99Å; L30-Y32 HydrophobicContact CD2-CE2 4.04Å; L30-Y32 HydrophobicContact CG-CE2 3.76Å; Y32-L34 WeakPolarHBondContact O-CD1 3.36Å; Y32-V49 HydrophobicContact CD1-CG1 4.14Å; Y32-Y58 WeakPolarHBondContact CE1-OH 3.43Å; Y32-Y58 PolarHBondContact OH-OH 3.06Å; Y32-L59 HydrophobicContact CE1-CD1 4.33Å; Y32-E87 WeakPolarHBondContact CE1-OE2 3.35Å; Y32-E87 PolarHBondContact OH-OE1 3.04Å; Y32-E87 PolarHBondContact OH-OE2 2.96Å; Y32-L91 HydrophobicContact CD1-CD2 4.31Å; Y32-L117 WeakPolarHBondContact CD2-O 3.46Å; Y32-L117 PolarHBondContact N-O 3.36Å; Y32-L117 PolarHBondContact O-N 3.5Å; Y32-L117 VanDerWaalsContact O-N 3.12Å; Y32-F177 HydrophobicContact CD1-CZ 4.48Å; Y32-F177 HydrophobicContact CD2-CE1 4.23Å; Y32-F177 AromaticContact CD2-CZ 3.74Å; Y32-F177 HydrophobicContact CD2-CZ 3.74Å; Y32-F177 HydrophobicContact CE1-CZ 4.36Å; Y32-F177 HydrophobicContact CE2-CE1 4.34Å; Y32-F177 HydrophobicContact CE2-CE2 4.47Å; Y32-F177 AromaticContact CE2-CZ 3.63Å; Y32-F177 HydrophobicContact CE2-CZ 3.63Å; Y32-F177 HydrophobicContact CG-CZ 4.18Å; Y32-F177 AromaticContact CZ-CZ 3.95Å; Y32-R185 PolarHBondContact OH-NH1 2.96Å
33	H	98.7	Very high	83.9	Confident	75 Å²	75	55 Å²	55	35%	0.347	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.6	176.7	-62.8	-173.6	0	0	0	107.5	V49 S50 W52 L116	H33-V49 VanDerWaalsContact O-CA 3.3Å; H33-V49 WeakPolarHBondContact O-CA 3.44Å; H33-S50 PolarHBondContact N-O 3.24Å; H33-S50 PolarHBondContact O-N 3.31Å; H33-S50 VanDerWaalsContact O-N 3.11Å; H33-W52 AromaticContact CD2-CD1 3.87Å; H33-W52 AromaticContact CE1-CD1 3.74Å; H33-W52 AromaticContact CE1-NE1 3.77Å; H33-W52 AromaticContact CG-CD1 3.85Å; H33-W52 AromaticContact CG-NE1 3.83Å; H33-W52 AromaticContact ND1-CD1 3.77Å; H33-W52 AromaticContact ND1-NE1 3.48Å; H33-W52 PolarHBondContact ND1-NE1 2.67Å; H33-W52 AromaticContact NE2-CD1 3.82Å; H33-L116 WeakPolarHBondContact CD2-CD1 3.48Å
34	L	98.7	Very high	87.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.6	-176.8	-54.1	93.8	0	0	0	109.3	Y32 F47 V49 K94 F98 Q114 G115 L117	Y32-L34 WeakPolarHBondContact O-CD1 3.36Å; L34-F47 HydrophobicContact CB-CE2 4.12Å; L34-F47 HydrophobicContact CB-CZ 4.47Å; L34-F47 HydrophobicContact CD2-CE2 4.26Å; L34-F47 HydrophobicContact CD2-CZ 3.96Å; L34-V49 HydrophobicContact CB-CG2 4.19Å; L34-V49 HydrophobicContact CD2-CG2 4.02Å; L34-V49 HydrophobicContact CG-CG1 4.05Å; L34-V49 HydrophobicContact CG-CG2 3.87Å; L34-K94 HydrophobicContact CD2-CB 3.88Å; L34-K94 HydrophobicContact CD2-CD 3.49Å; L34-K94 VanDerWaalsContact CD2-CD 3.49Å; L34-K94 HydrophobicContact CD2-CG 4.28Å; L34-F98 HydrophobicContact CB-CE1 3.78Å; L34-F98 HydrophobicContact CB-CE2 4.35Å; L34-F98 HydrophobicContact CB-CZ 3.61Å; L34-F98 HydrophobicContact CD2-CE2 4.15Å; L34-F98 HydrophobicContact CD2-CZ 4.2Å; L34-F98 HydrophobicContact CG-CZ 4.39Å; L34-Q114 CarbonylContact O-C 3.58Å; L34-Q114 VanDerWaalsContact O-CA 3.23Å; L34-Q114 WeakPolarHBondContact O-CA 3.08Å; L34-G115 WeakPolarHBondContact CD1-O 3.38Å; L34-G115 PolarHBondContact N-O 3.29Å; L34-G115 PolarHBondContact O-N 3.4Å; L34-L117 HydrophobicContact CD1-CB 3.99Å; L34-L117 HydrophobicContact CD1-CD1 3.69Å; L34-L117 HydrophobicContact CD1-CG 3.65Å; L34-L117 HydrophobicContact CD2-CD1 4.19Å
35	T	98.7	Very high	90.3	Very high	17 Å²	17	52.6 Å²	52.6	10%	0.104	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.4	175	-51.8	0	0	0	0	110.2	F47 W48 T112 L113 Q114	T35-F47 CarbonylContact O-C 3.57Å; T35-F47 VanDerWaalsContact O-CA 3.24Å; T35-F47 WeakPolarHBondContact O-CA 3.45Å; T35-F47 VanDerWaalsContact O-CD2 3.29Å; T35-F47 WeakPolarHBondContact O-CD2 3.31Å; T35-W48 HydrophobicContact CG2-CH2 3.45Å; T35-W48 VanDerWaalsContact CG2-CH2 3.45Å; T35-W48 HydrophobicContact CG2-CZ2 3.37Å; T35-W48 HydrophobicContact CG2-CZ3 4.11Å; T35-W48 PolarHBondContact N-O 2.91Å; T35-W48 PolarHBondContact O-N 3.28Å; T35-T112 HydrophobicContact CG2-CG2 4.09Å; T35-L113 CarbonylContact C-O 3.6Å; T35-L113 WeakPolarHBondContact CA-O 3.3Å; T35-Q114 HydrophobicContact CG2-CG 4.03Å
36	A	98.4	Very high	93.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.3	165.9	0	0	0	0	0	110.7	A46 F47 F98 F102 T112 L113	A36-A46 CarbonylContact C-O 3.58Å; A36-A46 WeakPolarHBondContact CA-O 3.44Å; A36-F47 HydrophobicContact CB-CB 4.41Å; A36-F47 HydrophobicContact CB-CD2 4.01Å; A36-F98 HydrophobicContact CB-CB 3.86Å; A36-F98 HydrophobicContact CB-CD1 3.84Å; A36-F98 HydrophobicContact CB-CG 4.36Å; A36-F102 HydrophobicContact CB-CE2 3.7Å; A36-F102 HydrophobicContact CB-CZ 3.69Å; A36-T112 WeakPolarHBondContact O-CA 3.47Å; A36-L113 PolarHBondContact N-O 2.82Å; A36-L113 PolarHBondContact O-N 2.87Å
37	V	97.7	Very high	95.3	Very high	28 Å²	28	41.4 Å²	41.4	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.6	173.4	-64.4	0	0	0	0	110.3	S39 P40 A46 W48 F102 Y111 T112	V37-S39 VanDerWaalsContact C-N 3.35Å; V37-S39 PolarHBondContact O-N 3.32Å; V37-P40 HydrophobicContact CG2-CB 3.83Å; V37-A46 PolarHBondContact N-O 2.78Å; V37-W48 HydrophobicContact CG1-CH2 4.01Å; V37-W48 HydrophobicContact CG1-CZ3 4.12Å; V37-W48 HydrophobicContact CG2-CZ3 4.18Å; V37-F102 VanDerWaalsContact C-CE2 3.43Å; V37-Y111 WeakPolarHBondContact CA-O 3.48Å; V37-T112 HydrophobicContact CG1-CG2 4.27Å
38	S	95.7	Very high	96.7	Very high	45 Å²	45	41.5 Å²	41.5	32%	0.315	27%	0.268	S	S	.	.	S	Bend	trans	-73.9	-25.8	-176.5	65.8	0	0	0	0	113.7	P110 Y111	S38-P110 WeakPolarHBondContact OG-CA 3.26Å; S38-Y111 PolarHBondContact N-O 3.37Å; S38-Y111 PolarHBondContact OG-N 2.68Å
39	S	94	Very high	97.3	Very high	81 Å²	81	40.3 Å²	40.3	57%	0.566	26%	0.262	S	S	*	.	S	Bend	trans	-139	74	-176	56.9	0	0	0	0	110.6	V37	V37-S39 VanDerWaalsContact C-N 3.35Å; V37-S39 PolarHBondContact O-N 3.32Å
40	P	95.4	Very high	97.5	Very high	51 Å²	51	40.3 Å²	40.3	33%	0.331	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-64.6	148.5	178.1	28	-34.9	0	0	0	111.2	V37 T44 A46	V37-P40 HydrophobicContact CG2-CB 3.83Å; P40-T44 WeakPolarHBondContact CB-OG1 3.5Å; P40-A46 HydrophobicContact CG-CB 4.05Å
41	A	96.3	Very high	97.5	Very high	58 Å²	58	40.3 Å²	40.3	48%	0.479	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-62.6	148.9	169.1	0	0	0	0	0	110.1	G43 T44	A41-G43 PolarHBondContact O-N 2.73Å; A41-T44 HydrophobicContact CB-CG2 4.1Å; A41-T44 PolarHBondContact N-OG1 3.49Å; A41-T44 WeakPolarHBondContact O-CB 3.44Å; A41-T44 PolarHBondContact O-N 2.96Å; A41-T44 PolarHBondContact O-OG1 2.65Å
42	P	96.2	Very high	97.5	Very high	139 Å²	139	41.7 Å²	41.7	90%	0.903	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.8	177.1	-26.5	34.7	0	0	0	111.7	T44	P42-T44 VanDerWaalsContact C-N 3.33Å
43	G	95.5	Very high	97.4	Very high	73 Å²	73	41.7 Å²	41.7	75%	0.753	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-3.7	-176.7	0	0	0	0	0	115.5	A41 L64	A41-G43 PolarHBondContact O-N 2.73Å; G43-L64 WeakPolarHBondContact O-CD1 3.24Å
44	T	97.1	Very high	97.1	Very high	65 Å²	65	39.6 Å²	39.6	40%	0.399	26%	0.264	S	S	.	.	S	Bend	trans	-97.5	145.2	171.8	63.5	0	0	0	0	111.2	P40 A41 P42	P40-T44 WeakPolarHBondContact CB-OG1 3.5Å; A41-T44 HydrophobicContact CB-CG2 4.1Å; A41-T44 PolarHBondContact N-OG1 3.49Å; A41-T44 WeakPolarHBondContact O-CB 3.44Å; A41-T44 PolarHBondContact O-N 2.96Å; A41-T44 PolarHBondContact O-OG1 2.65Å; P42-T44 VanDerWaalsContact C-N 3.33Å
45	P	97.7	Very high	96.9	Very high	28 Å²	28	41.7 Å²	41.7	18%	0.182	28%	0.277	C	S	.	.			trans	-69.4	142.1	-179.9	28.5	-34.7	0	0	0	111.6	F47 W48 N62 L64	P45-F47 PolarHBondContact O-N 2.8Å; P45-W48 HydrophobicContact CG-CB 4.35Å; P45-W48 HydrophobicContact CG-CE3 4.18Å; P45-N62 HydrophobicContact CB-CB 3.91Å; P45-N62 HydrophobicContact CG-CB 4.05Å; P45-L64 HydrophobicContact CB-CD1 4.21Å; P45-L64 HydrophobicContact CB-CG 3.99Å
46	A	97.5	Very high	96.8	Very high	25 Å²	25	41.9 Å²	41.9	21%	0.207	28%	0.277	C	S	.	.	S	Bend	trans	-71.2	-24.9	172.9	0	0	0	0	0	112.1	A36 V37 P40 S63 L99	A36-A46 CarbonylContact C-O 3.58Å; A36-A46 WeakPolarHBondContact CA-O 3.44Å; V37-A46 PolarHBondContact N-O 2.78Å; P40-A46 HydrophobicContact CG-CB 4.05Å; A46-S63 PolarHBondContact N-OG 3.16Å; A46-L99 HydrophobicContact CB-CD2 3.96Å
47	F	98.5	Very high	96.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138	179.1	170.9	-97	0	0	0	110.9	L34 T35 A36 P45 V49 Y61 N62 S63 K94 E95 F98 L99	L34-F47 HydrophobicContact CB-CE2 4.12Å; L34-F47 HydrophobicContact CB-CZ 4.47Å; L34-F47 HydrophobicContact CD2-CE2 4.26Å; L34-F47 HydrophobicContact CD2-CZ 3.96Å; T35-F47 CarbonylContact O-C 3.57Å; T35-F47 VanDerWaalsContact O-CA 3.24Å; T35-F47 WeakPolarHBondContact O-CA 3.45Å; T35-F47 VanDerWaalsContact O-CD2 3.29Å; T35-F47 WeakPolarHBondContact O-CD2 3.31Å; A36-F47 HydrophobicContact CB-CB 4.41Å; A36-F47 HydrophobicContact CB-CD2 4.01Å; P45-F47 PolarHBondContact O-N 2.8Å; F47-V49 HydrophobicContact CD1-CG2 4.46Å; F47-V49 HydrophobicContact CE1-CG2 3.55Å; F47-V49 HydrophobicContact CE2-CG2 4.17Å; F47-V49 HydrophobicContact CZ-CG2 3.4Å; F47-V49 VanDerWaalsContact CZ-CG2 3.4Å; F47-Y61 HydrophobicContact CD1-CD1 4.15Å; F47-Y61 AromaticContact CD1-CE1 3.75Å; F47-Y61 HydrophobicContact CD1-CE1 3.75Å; F47-Y61 AromaticContact CE1-CD1 3.89Å; F47-Y61 HydrophobicContact CE1-CD1 3.89Å; F47-Y61 AromaticContact CE1-CE1 3.65Å; F47-Y61 HydrophobicContact CE1-CE1 3.65Å; F47-N62 CarbonylContact O-C 3.5Å; F47-N62 WeakPolarHBondContact O-CA 3.3Å; F47-S63 PolarHBondContact N-OG 2.91Å; F47-S63 PolarHBondContact O-N 3.22Å; F47-S63 PolarHBondContact O-OG 3.46Å; F47-K94 HydrophobicContact CZ-CB 4.26Å; F47-E95 HydrophobicContact CB-CG 4.07Å; F47-E95 HydrophobicContact CD1-CB 3.49Å; F47-E95 VanDerWaalsContact CD1-CB 3.49Å; F47-E95 HydrophobicContact CD1-CG 3.58Å; F47-E95 HydrophobicContact CE1-CB 3.54Å; F47-E95 HydrophobicContact CE1-CG 4.18Å; F47-E95 HydrophobicContact CG-CB 4.16Å; F47-E95 HydrophobicContact CG-CG 3.98Å; F47-E95 HydrophobicContact CZ-CB 4.23Å; F47-F98 HydrophobicContact CD2-CB 3.92Å; F47-F98 HydrophobicContact CD2-CD1 4.08Å; F47-F98 HydrophobicContact CD2-CG 4.07Å; F47-F98 HydrophobicContact CE2-CB 3.94Å; F47-F98 AromaticContact CE2-CD1 3.82Å; F47-F98 HydrophobicContact CE2-CD1 3.82Å; F47-F98 HydrophobicContact CE2-CD2 4.12Å; F47-F98 HydrophobicContact CE2-CE1 4.35Å; F47-F98 AromaticContact CE2-CG 3.69Å; F47-F98 HydrophobicContact CE2-CG 3.69Å; F47-L99 HydrophobicContact CB-CD2 4.49Å
48	W	98.7	Very high	96.7	Very high	96 Å²	96	43.8 Å²	43.8	36%	0.364	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.2	175	68.8	93	0	0	0	111.7	T35 V37 P45 Y61 N62	T35-W48 HydrophobicContact CG2-CH2 3.45Å; T35-W48 VanDerWaalsContact CG2-CH2 3.45Å; T35-W48 HydrophobicContact CG2-CZ2 3.37Å; T35-W48 HydrophobicContact CG2-CZ3 4.11Å; T35-W48 PolarHBondContact N-O 2.91Å; T35-W48 PolarHBondContact O-N 3.28Å; V37-W48 HydrophobicContact CG1-CH2 4.01Å; V37-W48 HydrophobicContact CG1-CZ3 4.12Å; V37-W48 HydrophobicContact CG2-CZ3 4.18Å; P45-W48 HydrophobicContact CG-CB 4.35Å; P45-W48 HydrophobicContact CG-CE3 4.18Å; W48-Y61 CarbonylContact C-O 3.54Å; W48-Y61 VanDerWaalsContact CA-O 3.25Å; W48-Y61 WeakPolarHBondContact CA-O 3.43Å; W48-Y61 WeakPolarHBondContact CB-O 3.25Å; W48-N62 HydrophobicContact CB-CB 4.03Å
49	V	98.8	Very high	96.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.8	-178.2	-174.6	0	0	0	0	110.1	Y32 H33 L34 F47 Y61 L91	Y32-V49 HydrophobicContact CD1-CG1 4.14Å; H33-V49 VanDerWaalsContact O-CA 3.3Å; H33-V49 WeakPolarHBondContact O-CA 3.44Å; L34-V49 HydrophobicContact CB-CG2 4.19Å; L34-V49 HydrophobicContact CD2-CG2 4.02Å; L34-V49 HydrophobicContact CG-CG1 4.05Å; L34-V49 HydrophobicContact CG-CG2 3.87Å; F47-V49 HydrophobicContact CD1-CG2 4.46Å; F47-V49 HydrophobicContact CE1-CG2 3.55Å; F47-V49 HydrophobicContact CE2-CG2 4.17Å; F47-V49 HydrophobicContact CZ-CG2 3.4Å; F47-V49 VanDerWaalsContact CZ-CG2 3.4Å; V49-Y61 HydrophobicContact CG2-CD1 4.27Å; V49-Y61 PolarHBondContact N-O 2.84Å; V49-Y61 PolarHBondContact O-N 3.16Å; V49-L91 HydrophobicContact CB-CD1 4.37Å; V49-L91 HydrophobicContact CB-CD2 4.43Å; V49-L91 HydrophobicContact CG1-CD1 4.46Å; V49-L91 HydrophobicContact CG1-CD2 4.11Å; V49-L91 HydrophobicContact CG2-CD2 4.17Å
50	S	98.6	Very high	97.1	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.1	162.9	52.8	0	0	0	0	109.8	H33 W52 L59	H33-S50 PolarHBondContact N-O 3.24Å; H33-S50 PolarHBondContact O-N 3.31Å; H33-S50 VanDerWaalsContact O-N 3.11Å; S50-W52 PolarHBondContact OG-NE1 3.49Å; S50-L59 WeakPolarHBondContact CA-O 3.44Å
51	G	98.5	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.9	174.6	0	0	0	0	0	110.6	L31 Q57 Y58 L59	L31-G51 CarbonylContact O-C 3.53Å; L31-G51 WeakPolarHBondContact O-CA 3.47Å; G51-Q57 CarbonylContact O-C 3.58Å; G51-Q57 WeakPolarHBondContact O-CA 3.29Å; G51-Q57 WeakPolarHBondContact O-CG 3.28Å; G51-Y58 VanDerWaalsContact C-CE1 3.47Å; G51-Y58 VanDerWaalsContact O-CD1 3.22Å; G51-Y58 WeakPolarHBondContact O-CD1 3.4Å; G51-Y58 PolarHBondContact O-N 3.41Å; G51-L59 PolarHBondContact N-O 3.1Å; G51-L59 PolarHBondContact O-N 3.35Å
52	W	98.2	Very high	97.3	Very high	68 Å²	68	36.6 Å²	36.6	26%	0.258	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.1	-171.7	-61.5	82.1	0	0	0	111.3	L30 L31 H33 S50 P55 Q56 Q57	L30-W52 WeakPolarHBondContact CA-O 3.24Å; L31-W52 PolarHBondContact N-O 3.45Å; L31-W52 PolarHBondContact O-N 2.97Å; H33-W52 AromaticContact CD2-CD1 3.87Å; H33-W52 AromaticContact CE1-CD1 3.74Å; H33-W52 AromaticContact CE1-NE1 3.77Å; H33-W52 AromaticContact CG-CD1 3.85Å; H33-W52 AromaticContact CG-NE1 3.83Å; H33-W52 AromaticContact ND1-CD1 3.77Å; H33-W52 AromaticContact ND1-NE1 3.48Å; H33-W52 PolarHBondContact ND1-NE1 2.67Å; H33-W52 AromaticContact NE2-CD1 3.82Å; S50-W52 PolarHBondContact OG-NE1 3.49Å; W52-P55 WeakPolarHBondContact CZ3-O 3.4Å; W52-Q56 CarbonylContact C-O 3.53Å; W52-Q56 VanDerWaalsContact CA-O 3.27Å; W52-Q56 WeakPolarHBondContact CA-O 3.47Å; W52-Q56 VanDerWaalsContact CE3-C 3.48Å; W52-Q57 HydrophobicContact CD2-CB 4.08Å; W52-Q57 HydrophobicContact CD2-CG 4.46Å; W52-Q57 HydrophobicContact CE3-CB 3.92Å; W52-Q57 VanDerWaalsContact CE3-N 3.34Å; W52-Q57 HydrophobicContact CH2-CB 3.84Å; W52-Q57 HydrophobicContact CZ2-CB 4Å; W52-Q57 HydrophobicContact CZ2-CG 4.22Å; W52-Q57 HydrophobicContact CZ3-CB 3.8Å
53	L	96.5	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	100.5	167.9	-72.5	163.5	0	0	0	107.3	L30 Q56 Y58 W74 L186 H189 L197	L30-L53 HydrophobicContact CB-CD2 4.14Å; L30-L53 HydrophobicContact CD1-CD2 3.88Å; L30-L53 HydrophobicContact CD1-CG 4.26Å; L30-L53 HydrophobicContact CG-CD2 4.49Å; L53-Q56 PolarHBondContact N-O 3.22Å; L53-Q56 PolarHBondContact O-N 2.8Å; L53-Q56 VanDerWaalsContact O-N 3.14Å; L53-Y58 HydrophobicContact CD1-CD1 4.07Å; L53-Y58 HydrophobicContact CD1-CD2 4.36Å; L53-Y58 HydrophobicContact CD1-CG 3.83Å; L53-Y58 HydrophobicContact CG-CD1 3.89Å; L53-Y58 HydrophobicContact CG-CE1 4.49Å; L53-Y58 HydrophobicContact CG-CG 4.17Å; L53-W74 HydrophobicContact CB-CH2 4.41Å; L53-W74 HydrophobicContact CB-CZ2 4.17Å; L53-W74 HydrophobicContact CD1-CD2 4.32Å; L53-W74 HydrophobicContact CD1-CE3 4.06Å; L53-W74 HydrophobicContact CD1-CH2 3.28Å; L53-W74 HydrophobicContact CD1-CZ2 3.58Å; L53-W74 HydrophobicContact CD1-CZ3 3.54Å; L53-W74 HydrophobicContact CG-CH2 4.46Å; L53-L186 HydrophobicContact CD2-CD1 3.72Å; L53-H189 HydrophobicContact CD1-CB 3.73Å; L53-H189 HydrophobicContact CD2-CB 4.18Å; L53-L197 HydrophobicContact CB-CD2 4.1Å
54	G	93	Very high	97.4	Very high	32 Å²	32	33.3 Å²	33.3	33%	0.33	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-124.6	-166	0	0	0	0	0	110.6	S29	S29-G54 PolarHBondContact O-N 3.5Å
55	P	94.4	Very high	97.4	Very high	45 Å²	45	36.5 Å²	36.5	29%	0.292	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	0.2	179.6	36.2	-35.9	0	0	0	114.4	W52 Y227 P229 F257	W52-P55 WeakPolarHBondContact CZ3-O 3.4Å; P55-Y227 HydrophobicContact CG-CE2 3.95Å; P55-Y227 WeakPolarHBondContact CG-OH 3.45Å; P55-P229 HydrophobicContact CB-CG 3.75Å; P55-P229 HydrophobicContact CG-CG 3.91Å; P55-F257 HydrophobicContact CB-CE2 4.47Å; P55-F257 HydrophobicContact CB-CZ 4.1Å
56	Q	95.4	Very high	97.4	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.093	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.5	-178.5	-68.3	-179	-1	0	0	111.7	W52 L53 Y58 W74 N196 Y227	W52-Q56 CarbonylContact C-O 3.53Å; W52-Q56 VanDerWaalsContact CA-O 3.27Å; W52-Q56 WeakPolarHBondContact CA-O 3.47Å; W52-Q56 VanDerWaalsContact CE3-C 3.48Å; L53-Q56 PolarHBondContact N-O 3.22Å; L53-Q56 PolarHBondContact O-N 2.8Å; L53-Q56 VanDerWaalsContact O-N 3.14Å; Q56-Y58 PolarHBondContact O-N 2.55Å; Q56-W74 VanDerWaalsContact OE1-CZ2 3.3Å; Q56-N196 PolarHBondContact NE2-O 3.44Å; Q56-Y227 HydrophobicContact CG-CE2 3.69Å; Q56-Y227 WeakPolarHBondContact CG-OH 3.3Å; Q56-Y227 PolarHBondContact NE2-OH 2.82Å; Q56-Y227 VanDerWaalsContact NE2-OH 3.07Å
57	Q	97.5	Very high	97.4	Very high	68 Å²	68	39 Å²	39	32%	0.318	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121.5	170.6	-170	-178.4	-6.8	0	0	109.8	G51 W52 L59 C71	G51-Q57 CarbonylContact O-C 3.58Å; G51-Q57 WeakPolarHBondContact O-CA 3.29Å; G51-Q57 WeakPolarHBondContact O-CG 3.28Å; W52-Q57 HydrophobicContact CD2-CB 4.08Å; W52-Q57 HydrophobicContact CD2-CG 4.46Å; W52-Q57 HydrophobicContact CE3-CB 3.92Å; W52-Q57 VanDerWaalsContact CE3-N 3.34Å; W52-Q57 HydrophobicContact CH2-CB 3.84Å; W52-Q57 HydrophobicContact CZ2-CB 4Å; W52-Q57 HydrophobicContact CZ2-CG 4.22Å; W52-Q57 HydrophobicContact CZ3-CB 3.8Å; Q57-L59 PolarHBondContact NE2-O 3.11Å; Q57-C71 HydrophobicContact CG-CB 4.36Å; Q57-C71 WeakPolarHBondContact O-CB 3.22Å
58	Y	98	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-23.7	178.1	90.2	-79.3	0	0	0	113.2	L30 Y32 G51 L53 Q56 P70 C71 W74 Y83 W84 E87 H189	L30-Y58 HydrophobicContact CD1-CD1 4.17Å; L30-Y58 HydrophobicContact CD1-CE1 3.33Å; Y32-Y58 WeakPolarHBondContact CE1-OH 3.43Å; Y32-Y58 PolarHBondContact OH-OH 3.06Å; G51-Y58 VanDerWaalsContact C-CE1 3.47Å; G51-Y58 VanDerWaalsContact O-CD1 3.22Å; G51-Y58 WeakPolarHBondContact O-CD1 3.4Å; G51-Y58 PolarHBondContact O-N 3.41Å; L53-Y58 HydrophobicContact CD1-CD1 4.07Å; L53-Y58 HydrophobicContact CD1-CD2 4.36Å; L53-Y58 HydrophobicContact CD1-CG 3.83Å; L53-Y58 HydrophobicContact CG-CD1 3.89Å; L53-Y58 HydrophobicContact CG-CE1 4.49Å; L53-Y58 HydrophobicContact CG-CG 4.17Å; Q56-Y58 PolarHBondContact O-N 2.55Å; Y58-P70 CarbonylContact O-C 3.59Å; Y58-P70 WeakPolarHBondContact O-CA 3.47Å; Y58-C71 PolarHBondContact O-N 3.3Å; Y58-W74 VanDerWaalsContact CA-CD1 3.41Å; Y58-W74 VanDerWaalsContact CB-CD1 3.49Å; Y58-Y83 HydrophobicContact CE2-CE1 4.34Å; Y58-W84 HydrophobicContact CD2-CH2 4.14Å; Y58-W84 HydrophobicContact CE2-CH2 4.22Å; Y58-E87 PolarHBondContact OH-OE1 3.18Å; Y58-H189 AromaticContact CD2-CE1 3.75Å; Y58-H189 AromaticContact CD2-NE2 3.48Å; Y58-H189 WeakPolarHBondContact CD2-NE2 3.42Å; Y58-H189 AromaticContact CE2-CE1 3.96Å; Y58-H189 AromaticContact CE2-NE2 3.3Å; Y58-H189 VanDerWaalsContact CE2-NE2 3.3Å; Y58-H189 WeakPolarHBondContact CE2-NE2 3.42Å
59	L	98.5	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.1	-175.1	177.9	154.4	0	0	0	112.1	Y32 S50 G51 Q57 A68 E69 W84 E87 L91	Y32-L59 HydrophobicContact CE1-CD1 4.33Å; S50-L59 WeakPolarHBondContact CA-O 3.44Å; G51-L59 PolarHBondContact N-O 3.1Å; G51-L59 PolarHBondContact O-N 3.35Å; Q57-L59 PolarHBondContact NE2-O 3.11Å; L59-A68 HydrophobicContact CD1-CB 4.09Å; L59-A68 HydrophobicContact CG-CB 4.38Å; L59-E69 CarbonylContact C-O 3.56Å; L59-E69 WeakPolarHBondContact CA-O 3.48Å; L59-W84 HydrophobicContact CB-CH2 4.42Å; L59-W84 HydrophobicContact CB-CZ3 4.18Å; L59-W84 HydrophobicContact CD1-CZ3 3.8Å; L59-W84 HydrophobicContact CG-CZ3 3.96Å; L59-E87 HydrophobicContact CD1-CB 3.96Å; L59-E87 HydrophobicContact CD1-CG 3.75Å; L59-L91 HydrophobicContact CD1-CD1 4.3Å; L59-L91 HydrophobicContact CD2-CD1 3.73Å
60	S	98.4	Very high	97.3	Very high	39 Å²	39	39.5 Å²	39.5	27%	0.273	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.6	168.1	-177	0	0	0	0	110.4	A68 E69 C71	S60-A68 CarbonylContact O-C 3.4Å; S60-A68 WeakPolarHBondContact O-CA 3.38Å; S60-E69 PolarHBondContact N-O 3.5Å; S60-E69 PolarHBondContact O-N 3.37Å; S60-C71 VanDerWaalsContact CB-SG 3.59Å
61	Y	98.7	Very high	97.2	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.3	173.6	174.6	-81.9	0	0	0	109.5	F47 W48 V49 E67 A68 L91 R92 E95	F47-Y61 HydrophobicContact CD1-CD1 4.15Å; F47-Y61 AromaticContact CD1-CE1 3.75Å; F47-Y61 HydrophobicContact CD1-CE1 3.75Å; F47-Y61 AromaticContact CE1-CD1 3.89Å; F47-Y61 HydrophobicContact CE1-CD1 3.89Å; F47-Y61 AromaticContact CE1-CE1 3.65Å; F47-Y61 HydrophobicContact CE1-CE1 3.65Å; W48-Y61 CarbonylContact C-O 3.54Å; W48-Y61 VanDerWaalsContact CA-O 3.25Å; W48-Y61 WeakPolarHBondContact CA-O 3.43Å; W48-Y61 WeakPolarHBondContact CB-O 3.25Å; V49-Y61 HydrophobicContact CG2-CD1 4.27Å; V49-Y61 PolarHBondContact N-O 2.84Å; V49-Y61 PolarHBondContact O-N 3.16Å; Y61-E67 VanDerWaalsContact CD2-C 3.48Å; Y61-E67 WeakPolarHBondContact CD2-O 3.3Å; Y61-A68 HydrophobicContact CD2-CB 4.17Å; Y61-L91 VanDerWaalsContact CB-CD1 3.49Å; Y61-L91 HydrophobicContact CD1-CB 4.19Å; Y61-L91 HydrophobicContact CD1-CD1 4.42Å; Y61-L91 HydrophobicContact CD2-CB 3.81Å; Y61-L91 HydrophobicContact CD2-CD1 3.87Å; Y61-L91 HydrophobicContact CE1-CB 4.3Å; Y61-L91 HydrophobicContact CE2-CB 3.91Å; Y61-L91 HydrophobicContact CG-CB 3.97Å; Y61-L91 HydrophobicContact CG-CD1 3.68Å; Y61-L91 HydrophobicContact CG-CG 4.48Å; Y61-R92 HydrophobicContact CE2-CG 4.32Å; Y61-R92 VanDerWaalsContact OH-CG 3.28Å; Y61-R92 WeakPolarHBondContact OH-CG 3.39Å; Y61-E95 VanDerWaalsContact CE1-OE2 3.29Å; Y61-E95 WeakPolarHBondContact CE1-OE2 3.3Å; Y61-E95 PolarHBondContact OH-OE2 3.43Å
62	N	97.8	Very high	97.1	Very high	43 Å²	43	42.7 Å²	42.7	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.1	169.7	67.5	68.3	0	0	0	111.6	P45 F47 W48 L64 R65 G66	P45-N62 HydrophobicContact CB-CB 3.91Å; P45-N62 HydrophobicContact CG-CB 4.05Å; F47-N62 CarbonylContact O-C 3.5Å; F47-N62 WeakPolarHBondContact O-CA 3.3Å; W48-N62 HydrophobicContact CB-CB 4.03Å; N62-L64 VanDerWaalsContact C-N 3.25Å; N62-L64 PolarHBondContact O-N 3.41Å; N62-L64 WeakPolarHBondContact OD1-CB 3.44Å; N62-L64 PolarHBondContact OD1-N 3.32Å; N62-L64 VanDerWaalsContact OD1-N 3.14Å; N62-R65 PolarHBondContact O-N 2.97Å; N62-R65 PolarHBondContact OD1-N 3.32Å; N62-G66 WeakPolarHBondContact O-CA 3.21Å; N62-G66 PolarHBondContact O-N 3.1Å
63	S	97.4	Very high	97	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.203	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.4	-175.9	67.6	0	0	0	0	114.4	A46 F47 E95	A46-S63 PolarHBondContact N-OG 3.16Å; F47-S63 PolarHBondContact N-OG 2.91Å; F47-S63 PolarHBondContact O-N 3.22Å; F47-S63 PolarHBondContact O-OG 3.46Å; S63-E95 WeakPolarHBondContact CB-OE1 3.25Å
64	L	97.2	Very high	97	Very high	114 Å²	114	42 Å²	42	60%	0.597	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-43.4	178.2	-65.3	174.3	0	0	0	111.1	G43 P45 N62	G43-L64 WeakPolarHBondContact O-CD1 3.24Å; P45-L64 HydrophobicContact CB-CD1 4.21Å; P45-L64 HydrophobicContact CB-CG 3.99Å; N62-L64 VanDerWaalsContact C-N 3.25Å; N62-L64 PolarHBondContact O-N 3.41Å; N62-L64 WeakPolarHBondContact OD1-CB 3.44Å; N62-L64 PolarHBondContact OD1-N 3.32Å; N62-L64 VanDerWaalsContact OD1-N 3.14Å
65	R	96.7	Very high	97.1	Very high	131 Å²	131	44.1 Å²	44.1	49%	0.494	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-38.4	176.3	-171.4	173.9	-177.3	155.2	-1.5	111.9	N62 E67 E69	N62-R65 PolarHBondContact O-N 2.97Å; N62-R65 PolarHBondContact OD1-N 3.32Å; R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 HydrophobicContact CG-CB 4.28Å; R65-E67 IonicContact NE-OE2 2.64Å; R65-E67 PolarHBondContact O-N 2.91Å; R65-E69 IonicContact CZ-OE1 3.6Å; R65-E69 IonicContact CZ-OE2 2.87Å; R65-E69 VanDerWaalsContact CZ-OE2 3.23Å; R65-E69 IonicContact NE-OE1 3.99Å; R65-E69 IonicContact NE-OE2 3.09Å; R65-E69 IonicContact NH1-OE1 3.06Å; R65-E69 PolarHBondContact NH1-OE1 3.13Å; R65-E69 IonicContact NH1-OE2 2.82Å; R65-E69 PolarHBondContact NH1-OE2 2.91Å; R65-E69 IonicContact NH2-OE1 3.8Å; R65-E69 PolarHBondContact NH2-OE1 3.49Å; R65-E69 IonicContact NH2-OE2 3.75Å
66	G	96.7	Very high	97.2	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	28%	0.283	C	S	.	.			trans	69	22.1	179.2	0	0	0	0	0	114.3	N62 T88 R92	N62-G66 WeakPolarHBondContact O-CA 3.21Å; N62-G66 PolarHBondContact O-N 3.1Å; G66-T88 WeakPolarHBondContact O-CG2 3.37Å; G66-R92 VanDerWaalsContact O-CZ 3.24Å; G66-R92 PolarHBondContact O-NE 3.5Å; G66-R92 PolarHBondContact O-NH2 2.94Å
67	E	97.8	Very high	97.1	Very high	94 Å²	94	52.8 Å²	52.8	44%	0.439	28%	0.284	S	S	.	.			trans	-134.3	143.7	-179.6	-65.1	-175.7	160.2	0	0	110.6	Y61 R65	Y61-E67 VanDerWaalsContact CD2-C 3.48Å; Y61-E67 WeakPolarHBondContact CD2-O 3.3Å; R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 HydrophobicContact CG-CB 4.28Å; R65-E67 IonicContact NE-OE2 2.64Å; R65-E67 PolarHBondContact O-N 2.91Å
68	A	98.1	Very high	96.9	Very high	8 Å²	8	55.8 Å²	55.8	7%	0.066	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.3	174.4	0	0	0	0	0	109.9	L59 S60 Y61 W84 E87 T88 L91	L59-A68 HydrophobicContact CD1-CB 4.09Å; L59-A68 HydrophobicContact CG-CB 4.38Å; S60-A68 CarbonylContact O-C 3.4Å; S60-A68 WeakPolarHBondContact O-CA 3.38Å; Y61-A68 HydrophobicContact CD2-CB 4.17Å; A68-W84 HydrophobicContact CB-CE3 4.24Å; A68-E87 HydrophobicContact CB-CB 3.78Å; A68-T88 WeakPolarHBondContact CB-OG1 3.4Å; A68-T88 PolarHBondContact N-OG1 2.96Å; A68-L91 HydrophobicContact CB-CD1 4.14Å
69	E	97.6	Very high	96.6	Very high	64 Å²	64	57 Å²	57	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.1	-175.8	-60.8	-166.1	106	0	0	112.7	L59 S60 R65	L59-E69 CarbonylContact C-O 3.56Å; L59-E69 WeakPolarHBondContact CA-O 3.48Å; S60-E69 PolarHBondContact N-O 3.5Å; S60-E69 PolarHBondContact O-N 3.37Å; R65-E69 IonicContact CZ-OE1 3.6Å; R65-E69 IonicContact CZ-OE2 2.87Å; R65-E69 VanDerWaalsContact CZ-OE2 3.23Å; R65-E69 IonicContact NE-OE1 3.99Å; R65-E69 IonicContact NE-OE2 3.09Å; R65-E69 IonicContact NH1-OE1 3.06Å; R65-E69 PolarHBondContact NH1-OE1 3.13Å; R65-E69 IonicContact NH1-OE2 2.82Å; R65-E69 PolarHBondContact NH1-OE2 2.91Å; R65-E69 IonicContact NH2-OE1 3.8Å; R65-E69 PolarHBondContact NH2-OE1 3.49Å; R65-E69 IonicContact NH2-OE2 3.75Å
70	P	97.6	Very high	96.4	Very high	37 Å²	37	58.7 Å²	58.7	24%	0.24	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145.8	169.8	20.1	-24.5	0	0	0	112.8	Y58 W74 V75 W84	Y58-P70 CarbonylContact O-C 3.59Å; Y58-P70 WeakPolarHBondContact O-CA 3.47Å; P70-W74 HydrophobicContact CB-CB 4.45Å; P70-V75 HydrophobicContact CB-CB 4.33Å; P70-V75 HydrophobicContact CB-CG2 3.83Å; P70-V75 HydrophobicContact CG-CB 4.36Å; P70-V75 HydrophobicContact CG-CG2 3.97Å; P70-W84 HydrophobicContact CB-CH2 3.64Å; P70-W84 HydrophobicContact CB-CZ2 3.37Å; P70-W84 HydrophobicContact CB-CZ3 4.47Å; P70-W84 HydrophobicContact CG-CH2 4.27Å; P70-W84 HydrophobicContact CG-CZ2 3.83Å
71	C	97.2	Very high	96.1	Very high	27 Å²	27	62.4 Å²	62.4	18%	0.182	34%	0.343	C	S	.	.			trans	-110.4	145.4	173.3	-67.8	0	0	0	0	111.6	Q57 Y58 S60 A73 W74	Q57-C71 HydrophobicContact CG-CB 4.36Å; Q57-C71 WeakPolarHBondContact O-CB 3.22Å; Y58-C71 PolarHBondContact O-N 3.3Å; S60-C71 VanDerWaalsContact CB-SG 3.59Å; C71-A73 PolarHBondContact O-N 2.99Å; C71-W74 VanDerWaalsContact O-CB 3.26Å; C71-W74 WeakPolarHBondContact O-CB 3.44Å; C71-W74 PolarHBondContact O-N 3.3Å; C71-W74 VanDerWaalsContact O-N 3.16Å
72	G	95.6	Very high	95.9	Very high	62 Å²	62	69 Å²	69	64%	0.639	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	57	-134.2	170	0	0	0	0	0	114.3	W74 V75	G72-W74 PolarHBondContact O-N 3.48Å; G72-V75 WeakPolarHBondContact O-CG2 3.42Å; G72-V75 PolarHBondContact O-N 3.3Å
73	A	96	Very high	95.8	Very high	48 Å²	48	67.3 Å²	67.3	40%	0.397	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19.5	-179.7	0	0	0	0	0	113.6	C71 V75 W76	C71-A73 PolarHBondContact O-N 2.99Å; A73-V75 PolarHBondContact O-N 2.8Å; A73-W76 PolarHBondContact O-N 3.04Å; A73-W76 VanDerWaalsContact O-N 3.12Å
74	W	96.8	Very high	95.8	Very high	6 Å²	6	68.7 Å²	68.7	2%	0.023	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-69.8	-14.9	-179.3	-54.1	98.1	0	0	0	113.3	L53 Q56 Y58 P70 C71 G72 W76 E77 H189 N196 L197	L53-W74 HydrophobicContact CB-CH2 4.41Å; L53-W74 HydrophobicContact CB-CZ2 4.17Å; L53-W74 HydrophobicContact CD1-CD2 4.32Å; L53-W74 HydrophobicContact CD1-CE3 4.06Å; L53-W74 HydrophobicContact CD1-CH2 3.28Å; L53-W74 HydrophobicContact CD1-CZ2 3.58Å; L53-W74 HydrophobicContact CD1-CZ3 3.54Å; L53-W74 HydrophobicContact CG-CH2 4.46Å; Q56-W74 VanDerWaalsContact OE1-CZ2 3.3Å; Y58-W74 VanDerWaalsContact CA-CD1 3.41Å; Y58-W74 VanDerWaalsContact CB-CD1 3.49Å; P70-W74 HydrophobicContact CB-CB 4.45Å; C71-W74 VanDerWaalsContact O-CB 3.26Å; C71-W74 WeakPolarHBondContact O-CB 3.44Å; C71-W74 PolarHBondContact O-N 3.3Å; C71-W74 VanDerWaalsContact O-N 3.16Å; G72-W74 PolarHBondContact O-N 3.48Å; W74-W76 PolarHBondContact O-N 3.34Å; W74-E77 WeakPolarHBondContact CZ3-OE1 3.4Å; W74-E77 WeakPolarHBondContact O-CB 3.39Å; W74-E77 PolarHBondContact O-N 3.32Å; W74-H189 AromaticContact CE3-ND1 3.83Å; W74-H189 HydrophobicContact CZ3-CB 4.19Å; W74-H189 AromaticContact CZ3-ND1 3.67Å; W74-N196 HydrophobicContact CH2-CB 4.14Å; W74-N196 HydrophobicContact CZ2-CB 4.06Å; W74-L197 HydrophobicContact CH2-CD1 4.29Å; W74-L197 HydrophobicContact CH2-CD2 3.76Å; W74-L197 HydrophobicContact CH2-CG 3.82Å; W74-L197 HydrophobicContact CZ2-CD2 3.9Å; W74-L197 HydrophobicContact CZ2-CG 4.34Å
75	V	96.5	Very high	95.7	Very high	77 Å²	77	69.8 Å²	69.8	47%	0.467	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-60.8	-31.2	170.3	178.7	0	0	0	0	111.4	P70 G72 A73	P70-V75 HydrophobicContact CB-CB 4.33Å; P70-V75 HydrophobicContact CB-CG2 3.83Å; P70-V75 HydrophobicContact CG-CB 4.36Å; P70-V75 HydrophobicContact CG-CG2 3.97Å; G72-V75 WeakPolarHBondContact O-CG2 3.42Å; G72-V75 PolarHBondContact O-N 3.3Å; A73-V75 PolarHBondContact O-N 2.8Å
76	W	95.3	Very high	95.7	Very high	225 Å²	225	68.8 Å²	68.8	85%	0.852	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-98.2	6.1	-176.7	-54	107.5	0	0	0	113.2	A73 W74 N78	A73-W76 PolarHBondContact O-N 3.04Å; A73-W76 VanDerWaalsContact O-N 3.12Å; W74-W76 PolarHBondContact O-N 3.34Å; W76-N78 PolarHBondContact O-N 2.95Å
77	E	94.7	Very high	95.8	Very high	22 Å²	22	68.2 Å²	68.2	10%	0.103	36%	0.355	C	S	.	.			trans	-67.9	130.5	176	-171.6	-177.9	-126.1	0	0	110	W74 Q79 H189 R192 G193	W74-E77 WeakPolarHBondContact CZ3-OE1 3.4Å; W74-E77 WeakPolarHBondContact O-CB 3.39Å; W74-E77 PolarHBondContact O-N 3.32Å; E77-Q79 VanDerWaalsContact C-N 3.26Å; E77-Q79 PolarHBondContact O-N 3.29Å; E77-Q79 PolarHBondContact OE2-NE2 3Å; E77-H189 IonicContact OE1-CE1 3.31Å; E77-H189 IonicContact OE1-CG 3.56Å; E77-H189 IonicContact OE1-ND1 3.99Å; E77-H189 PolarHBondContact OE1-ND1 2.9Å; E77-H189 IonicContact OE2-CE1 2.89Å; E77-H189 PolarHBondContact OE2-CE1 3.15Å; E77-H189 IonicContact OE2-ND1 2.78Å; E77-H189 PolarHBondContact OE2-ND1 3.14Å; E77-R192 HydrophobicContact CG-CB 3.94Å; E77-G193 WeakPolarHBondContact OE1-CA 3.23Å; E77-G193 PolarHBondContact OE1-N 3.37Å
78	N	92.7	Very high	95.8	Very high	131 Å²	131	64.4 Å²	64.4	70%	0.701	34%	0.338	S	S	*	.			trans	-74.7	82.3	175.7	-177.6	18.8	0	0	0	110.1	W76 R192	W76-N78 PolarHBondContact O-N 2.95Å; N78-R192 VanDerWaalsContact O-CD 3.28Å; N78-R192 WeakPolarHBondContact O-CD 3.46Å; N78-R192 PolarHBondContact O-NH1 3.1Å
79	Q	92.4	Very high	95.7	Very high	26 Å²	26	67.3 Å²	67.3	12%	0.121	36%	0.356	C	S	.	.			trans	-99.1	156.6	-172.5	-164.9	56.2	-79.3	0	0	112.4	E77 Y83	E77-Q79 VanDerWaalsContact C-N 3.26Å; E77-Q79 PolarHBondContact O-N 3.29Å; E77-Q79 PolarHBondContact OE2-NE2 3Å; Q79-Y83 VanDerWaalsContact CD-CD2 3.47Å; Q79-Y83 HydrophobicContact CG-CD1 3.72Å; Q79-Y83 HydrophobicContact CG-CD2 3.65Å; Q79-Y83 HydrophobicContact CG-CE1 4.45Å; Q79-Y83 HydrophobicContact CG-CE2 4.39Å; Q79-Y83 HydrophobicContact CG-CG 3.29Å
80	V	93.6	Very high	95.7	Very high	34 Å²	34	66.1 Å²	66.1	21%	0.206	35%	0.351	C	S	.	.			trans	-63.4	143.5	175.5	-63.5	0	0	0	0	111.5	W82 Y83	V80-W82 PolarHBondContact O-N 3.06Å; V80-W82 VanDerWaalsContact O-N 3.08Å; V80-Y83 HydrophobicContact CG2-CD2 4.42Å; V80-Y83 VanDerWaalsContact O-CB 3.23Å; V80-Y83 WeakPolarHBondContact O-CB 3.45Å; V80-Y83 PolarHBondContact O-N 2.89Å
81	S	91.9	Very high	95.8	Very high	117 Å²	117	64.4 Å²	64.4	82%	0.818	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.7	-169	55.2	0	0	0	0	115
82	W	93.6	Very high	95.8	Very high	143 Å²	143	68.5 Å²	68.5	54%	0.542	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.8	-179.8	50.5	52.9	0	0	0	114.4	V80 E85 K86	V80-W82 PolarHBondContact O-N 3.06Å; V80-W82 VanDerWaalsContact O-N 3.08Å; W82-E85 PolarHBondContact O-N 3.1Å; W82-K86 WeakPolarHBondContact O-CG 3.3Å; W82-K86 PolarHBondContact O-N 3.47Å; W82-K86 VanDerWaalsContact O-N 3.1Å
83	Y	96.8	Very high	95.8	Very high	6 Å²	6	67.6 Å²	67.6	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-56.6	-172.6	-177.3	-89	0	0	0	112.4	Y58 Q79 V80 E85 K86 E87 R185 H189	Y58-Y83 HydrophobicContact CE2-CE1 4.34Å; Q79-Y83 VanDerWaalsContact CD-CD2 3.47Å; Q79-Y83 HydrophobicContact CG-CD1 3.72Å; Q79-Y83 HydrophobicContact CG-CD2 3.65Å; Q79-Y83 HydrophobicContact CG-CE1 4.45Å; Q79-Y83 HydrophobicContact CG-CE2 4.39Å; Q79-Y83 HydrophobicContact CG-CG 3.29Å; V80-Y83 HydrophobicContact CG2-CD2 4.42Å; V80-Y83 VanDerWaalsContact O-CB 3.23Å; V80-Y83 WeakPolarHBondContact O-CB 3.45Å; V80-Y83 PolarHBondContact O-N 2.89Å; Y83-E85 VanDerWaalsContact C-N 3.27Å; Y83-E85 PolarHBondContact O-N 2.83Å; Y83-K86 WeakPolarHBondContact O-CB 3.44Å; Y83-K86 PolarHBondContact O-N 3.08Å; Y83-K86 VanDerWaalsContact O-N 3.11Å; Y83-E87 HydrophobicContact CD1-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 3.77Å; Y83-E87 PolarHBondContact O-N 3.01Å; Y83-E87 PolarHBondContact OH-OE1 3.01Å; Y83-R185 HydrophobicContact CE2-CB 4.3Å; Y83-R185 HydrophobicContact CE2-CG 3.88Å; Y83-H189 AromaticContact CZ-CE1 3.91Å; Y83-H189 AromaticContact CZ-NE2 3.43Å; Y83-H189 PolarHBondContact OH-NE2 3.11Å
84	W	96.7	Very high	95.9	Very high	58 Å²	58	65.7 Å²	65.7	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-27.6	-177.2	-67.5	106.5	0	0	0	113.1	Y58 L59 A68 P70 T88	Y58-W84 HydrophobicContact CD2-CH2 4.14Å; Y58-W84 HydrophobicContact CE2-CH2 4.22Å; L59-W84 HydrophobicContact CB-CH2 4.42Å; L59-W84 HydrophobicContact CB-CZ3 4.18Å; L59-W84 HydrophobicContact CD1-CZ3 3.8Å; L59-W84 HydrophobicContact CG-CZ3 3.96Å; A68-W84 HydrophobicContact CB-CE3 4.24Å; P70-W84 HydrophobicContact CB-CH2 3.64Å; P70-W84 HydrophobicContact CB-CZ2 3.37Å; P70-W84 HydrophobicContact CB-CZ3 4.47Å; P70-W84 HydrophobicContact CG-CH2 4.27Å; P70-W84 HydrophobicContact CG-CZ2 3.83Å; W84-T88 VanDerWaalsContact O-CB 3.31Å; W84-T88 WeakPolarHBondContact O-CB 3.5Å; W84-T88 PolarHBondContact O-N 2.64Å; W84-T88 PolarHBondContact O-OG1 3.24Å
85	E	96.3	Very high	96	Very high	138 Å²	138	67 Å²	67	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-68.8	-40.2	172.9	-173.4	177.2	-164.3	0	0	111.6	W82 Y83 T88 T89	W82-E85 PolarHBondContact O-N 3.1Å; Y83-E85 VanDerWaalsContact C-N 3.27Å; Y83-E85 PolarHBondContact O-N 2.83Å; E85-T88 PolarHBondContact O-N 2.95Å; E85-T89 WeakPolarHBondContact O-CB 3.25Å; E85-T89 PolarHBondContact O-N 3.22Å; E85-T89 PolarHBondContact O-OG1 3.3Å
86	K	96.4	Very high	96	Very high	110 Å²	110	69.6 Å²	69.6	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-44.8	174	-74.8	-178.7	179.4	178.3	0	111.7	W82 Y83 T88 T89 D90	W82-K86 WeakPolarHBondContact O-CG 3.3Å; W82-K86 PolarHBondContact O-N 3.47Å; W82-K86 VanDerWaalsContact O-N 3.1Å; Y83-K86 WeakPolarHBondContact O-CB 3.44Å; Y83-K86 PolarHBondContact O-N 3.08Å; Y83-K86 VanDerWaalsContact O-N 3.11Å; K86-T88 VanDerWaalsContact C-N 3.34Å; K86-T88 PolarHBondContact O-N 2.89Å; K86-T89 PolarHBondContact O-N 3.44Å; K86-D90 PolarHBondContact O-N 3.45Å
87	E	97.7	Very high	96.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54.8	-52	173.3	-76	-62.6	161.3	0	0	111.1	Y32 Y58 L59 A68 Y83 T89 D90 L91 R185	Y32-E87 WeakPolarHBondContact CE1-OE2 3.35Å; Y32-E87 PolarHBondContact OH-OE1 3.04Å; Y32-E87 PolarHBondContact OH-OE2 2.96Å; Y58-E87 PolarHBondContact OH-OE1 3.18Å; L59-E87 HydrophobicContact CD1-CB 3.96Å; L59-E87 HydrophobicContact CD1-CG 3.75Å; A68-E87 HydrophobicContact CB-CB 3.78Å; Y83-E87 HydrophobicContact CD1-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 3.77Å; Y83-E87 PolarHBondContact O-N 3.01Å; Y83-E87 PolarHBondContact OH-OE1 3.01Å; E87-T89 VanDerWaalsContact C-N 3.29Å; E87-T89 PolarHBondContact O-N 2.95Å; E87-D90 PolarHBondContact O-N 2.82Å; E87-L91 WeakPolarHBondContact O-CB 3.49Å; E87-L91 VanDerWaalsContact O-CG 3.3Å; E87-L91 WeakPolarHBondContact O-CG 3.32Å; E87-L91 PolarHBondContact O-N 3.26Å; E87-R185 VanDerWaalsContact CD-CZ 3.48Å; E87-R185 WeakPolarHBondContact OE1-CD 3.17Å; E87-R185 IonicContact OE1-CZ 3.29Å; E87-R185 IonicContact OE1-NE 2.73Å; E87-R185 PolarHBondContact OE1-NE 3.27Å; E87-R185 VanDerWaalsContact OE1-NE 3.09Å; E87-R185 IonicContact OE1-NH1 2.78Å; E87-R185 PolarHBondContact OE1-NH1 2.97Å; E87-R185 IonicContact OE1-NH2 3.36Å; E87-R185 IonicContact OE2-CZ 2.72Å; E87-R185 IonicContact OE2-NH1 2.65Å; E87-R185 PolarHBondContact OE2-NH1 2.98Å
88	T	98	Very high	96.2	Very high	13 Å²	13	58.2 Å²	58.2	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-42.1	178.9	-62.1	0	0	0	0	111.9	G66 A68 W84 E85 K86 L91 R92	G66-T88 WeakPolarHBondContact O-CG2 3.37Å; A68-T88 WeakPolarHBondContact CB-OG1 3.4Å; A68-T88 PolarHBondContact N-OG1 2.96Å; W84-T88 VanDerWaalsContact O-CB 3.31Å; W84-T88 WeakPolarHBondContact O-CB 3.5Å; W84-T88 PolarHBondContact O-N 2.64Å; W84-T88 PolarHBondContact O-OG1 3.24Å; E85-T88 PolarHBondContact O-N 2.95Å; K86-T88 VanDerWaalsContact C-N 3.34Å; K86-T88 PolarHBondContact O-N 2.89Å; T88-L91 PolarHBondContact O-N 2.92Å; T88-R92 HydrophobicContact CG2-CG 4.41Å; T88-R92 WeakPolarHBondContact O-CB 3.5Å; T88-R92 VanDerWaalsContact O-CG 3.24Å; T88-R92 WeakPolarHBondContact O-CG 3.41Å; T88-R92 PolarHBondContact O-N 2.8Å
89	T	97.2	Very high	96.3	Very high	70 Å²	70	54.7 Å²	54.7	43%	0.429	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-45.6	-179.8	-61.5	0	0	0	0	111.8	E85 K86 E87 I93	E85-T89 WeakPolarHBondContact O-CB 3.25Å; E85-T89 PolarHBondContact O-N 3.22Å; E85-T89 PolarHBondContact O-OG1 3.3Å; K86-T89 PolarHBondContact O-N 3.44Å; E87-T89 VanDerWaalsContact C-N 3.29Å; E87-T89 PolarHBondContact O-N 2.95Å; T89-I93 HydrophobicContact CG2-CD1 4.43Å; T89-I93 WeakPolarHBondContact O-CD1 3.29Å; T89-I93 WeakPolarHBondContact O-CG1 3.3Å; T89-I93 PolarHBondContact O-N 3.41Å
90	D	97.4	Very high	96.4	Very high	39 Å²	39	55 Å²	55	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-41.5	179.4	-72.7	-15.2	0	0	0	111.8	K86 E87 R92 I93 K94 F177 R185	K86-D90 PolarHBondContact O-N 3.45Å; E87-D90 PolarHBondContact O-N 2.82Å; D90-R92 PolarHBondContact O-N 2.82Å; D90-I93 WeakPolarHBondContact O-CB 3.08Å; D90-I93 PolarHBondContact O-N 2.62Å; D90-K94 WeakPolarHBondContact O-CG 3.42Å; D90-K94 PolarHBondContact O-N 3.48Å; D90-F177 HydrophobicContact CB-CD2 4.17Å; D90-F177 HydrophobicContact CB-CE2 4.27Å; D90-R185 IonicContact OD2-CZ 2.71Å; D90-R185 IonicContact OD2-NH1 2.89Å; D90-R185 IonicContact OD2-NH2 3Å; D90-R185 PolarHBondContact OD2-NH2 2.92Å
91	L	98.2	Very high	96.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-34.1	179.4	-64.5	-176.2	0	0	0	112.6	Y32 V49 L59 Y61 A68 E87 T88 I93 K94 E95	Y32-L91 HydrophobicContact CD1-CD2 4.31Å; V49-L91 HydrophobicContact CB-CD1 4.37Å; V49-L91 HydrophobicContact CB-CD2 4.43Å; V49-L91 HydrophobicContact CG1-CD1 4.46Å; V49-L91 HydrophobicContact CG1-CD2 4.11Å; V49-L91 HydrophobicContact CG2-CD2 4.17Å; L59-L91 HydrophobicContact CD1-CD1 4.3Å; L59-L91 HydrophobicContact CD2-CD1 3.73Å; Y61-L91 VanDerWaalsContact CB-CD1 3.49Å; Y61-L91 HydrophobicContact CD1-CB 4.19Å; Y61-L91 HydrophobicContact CD1-CD1 4.42Å; Y61-L91 HydrophobicContact CD2-CB 3.81Å; Y61-L91 HydrophobicContact CD2-CD1 3.87Å; Y61-L91 HydrophobicContact CE1-CB 4.3Å; Y61-L91 HydrophobicContact CE2-CB 3.91Å; Y61-L91 HydrophobicContact CG-CB 3.97Å; Y61-L91 HydrophobicContact CG-CD1 3.68Å; Y61-L91 HydrophobicContact CG-CG 4.48Å; A68-L91 HydrophobicContact CB-CD1 4.14Å; E87-L91 WeakPolarHBondContact O-CB 3.49Å; E87-L91 VanDerWaalsContact O-CG 3.3Å; E87-L91 WeakPolarHBondContact O-CG 3.32Å; E87-L91 PolarHBondContact O-N 3.26Å; T88-L91 PolarHBondContact O-N 2.92Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 PolarHBondContact O-N 2.85Å; L91-K94 HydrophobicContact CD2-CD 4.45Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-E95 WeakPolarHBondContact O-CB 3.29Å; L91-E95 PolarHBondContact O-N 2.93Å
92	R	97.9	Very high	96.7	Very high	114 Å²	114	49.3 Å²	49.3	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-32.7	171.1	-76.4	172.7	179.1	174.4	2.6	112.8	Y61 G66 T88 D90 K96	Y61-R92 HydrophobicContact CE2-CG 4.32Å; Y61-R92 VanDerWaalsContact OH-CG 3.28Å; Y61-R92 WeakPolarHBondContact OH-CG 3.39Å; G66-R92 VanDerWaalsContact O-CZ 3.24Å; G66-R92 PolarHBondContact O-NE 3.5Å; G66-R92 PolarHBondContact O-NH2 2.94Å; T88-R92 HydrophobicContact CG2-CG 4.41Å; T88-R92 WeakPolarHBondContact O-CB 3.5Å; T88-R92 VanDerWaalsContact O-CG 3.24Å; T88-R92 WeakPolarHBondContact O-CG 3.41Å; T88-R92 PolarHBondContact O-N 2.8Å; D90-R92 PolarHBondContact O-N 2.82Å; R92-K96 WeakPolarHBondContact O-CG 3.43Å; R92-K96 PolarHBondContact O-N 3.43Å
93	I	96.6	Very high	96.7	Very high	43 Å²	43	50.5 Å²	50.5	22%	0.221	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-45.7	173.7	-69.4	157.8	0	0	0	109.8	T89 D90 L91 K96 L97 K173	T89-I93 HydrophobicContact CG2-CD1 4.43Å; T89-I93 WeakPolarHBondContact O-CD1 3.29Å; T89-I93 WeakPolarHBondContact O-CG1 3.3Å; T89-I93 PolarHBondContact O-N 3.41Å; D90-I93 WeakPolarHBondContact O-CB 3.08Å; D90-I93 PolarHBondContact O-N 2.62Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 PolarHBondContact O-N 2.85Å; I93-K96 PolarHBondContact O-N 3.02Å; I93-L97 HydrophobicContact CG2-CD1 4.32Å; I93-L97 PolarHBondContact O-N 3.06Å; I93-L97 VanDerWaalsContact O-N 3.16Å; I93-K173 HydrophobicContact CD1-CD 4.1Å; I93-K173 HydrophobicContact CG2-CD 4.18Å
94	K	97.9	Very high	96.5	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-37.9	178.7	-66	-174.6	-172.9	-65.6	0	112.5	L34 F47 D90 L91 K96 L97 F98 L117 E174	L34-K94 HydrophobicContact CD2-CB 3.88Å; L34-K94 HydrophobicContact CD2-CD 3.49Å; L34-K94 VanDerWaalsContact CD2-CD 3.49Å; L34-K94 HydrophobicContact CD2-CG 4.28Å; F47-K94 HydrophobicContact CZ-CB 4.26Å; D90-K94 WeakPolarHBondContact O-CG 3.42Å; D90-K94 PolarHBondContact O-N 3.48Å; L91-K94 HydrophobicContact CD2-CD 4.45Å; L91-K94 PolarHBondContact O-N 3.48Å; K94-K96 VanDerWaalsContact C-N 3.33Å; K94-K96 PolarHBondContact O-N 3.38Å; K94-L97 PolarHBondContact O-N 3.38Å; K94-F98 VanDerWaalsContact O-CD2 3.25Å; K94-F98 WeakPolarHBondContact O-CD2 3.39Å; K94-F98 PolarHBondContact O-N 2.82Å; K94-L117 HydrophobicContact CD-CD1 3.78Å; K94-L117 VanDerWaalsContact NZ-CD1 3.31Å; K94-E174 IonicContact NZ-OE1 2.86Å; K94-E174 PolarHBondContact NZ-OE1 3.47Å; K94-E174 IonicContact NZ-OE2 3.78Å; K94-E174 PolarHBondContact NZ-OE2 2.94Å
95	E	97.9	Very high	96.2	Very high	34 Å²	34	50.4 Å²	50.4	16%	0.159	24%	0.239	C	C	.	.	H	α-helix	trans	-54.2	-50.3	172.9	-179.8	176.7	147	0	0	111.1	F47 Y61 S63 L91 L97 F98 L99	F47-E95 HydrophobicContact CB-CG 4.07Å; F47-E95 HydrophobicContact CD1-CB 3.49Å; F47-E95 VanDerWaalsContact CD1-CB 3.49Å; F47-E95 HydrophobicContact CD1-CG 3.58Å; F47-E95 HydrophobicContact CE1-CB 3.54Å; F47-E95 HydrophobicContact CE1-CG 4.18Å; F47-E95 HydrophobicContact CG-CB 4.16Å; F47-E95 HydrophobicContact CG-CG 3.98Å; F47-E95 HydrophobicContact CZ-CB 4.23Å; Y61-E95 VanDerWaalsContact CE1-OE2 3.29Å; Y61-E95 WeakPolarHBondContact CE1-OE2 3.3Å; Y61-E95 PolarHBondContact OH-OE2 3.43Å; S63-E95 WeakPolarHBondContact CB-OE1 3.25Å; L91-E95 WeakPolarHBondContact O-CB 3.29Å; L91-E95 PolarHBondContact O-N 2.93Å; E95-L97 PolarHBondContact O-N 2.89Å; E95-F98 PolarHBondContact O-N 2.91Å; E95-L99 HydrophobicContact CG-CD1 3.93Å; E95-L99 HydrophobicContact CG-CG 4.42Å; E95-L99 VanDerWaalsContact O-CG 3.3Å; E95-L99 WeakPolarHBondContact O-CG 3.43Å; E95-L99 PolarHBondContact O-N 2.82Å
96	K	96.7	Very high	95.4	Very high	131 Å²	131	45.6 Å²	45.6	57%	0.57	23%	0.227	S	C	*	.	H	α-helix	trans	-60	-45.4	178.6	-70.2	176.3	-177.1	-178.7	0	111.7	R92 I93 K94 L99 E100	R92-K96 WeakPolarHBondContact O-CG 3.43Å; R92-K96 PolarHBondContact O-N 3.43Å; I93-K96 PolarHBondContact O-N 3.02Å; K94-K96 VanDerWaalsContact C-N 3.33Å; K94-K96 PolarHBondContact O-N 3.38Å; K96-L99 PolarHBondContact O-N 3.49Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.5Å; K96-E100 VanDerWaalsContact O-CG 3.25Å; K96-E100 WeakPolarHBondContact O-CG 3.25Å; K96-E100 PolarHBondContact O-N 2.96Å
97	L	96.8	Very high	94.5	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-49.4	177.3	-76.8	166.8	0	0	0	111.7	I93 K94 E95 L99 E100 A101 W164 A170	I93-L97 HydrophobicContact CG2-CD1 4.32Å; I93-L97 PolarHBondContact O-N 3.06Å; I93-L97 VanDerWaalsContact O-N 3.16Å; K94-L97 PolarHBondContact O-N 3.38Å; E95-L97 PolarHBondContact O-N 2.89Å; L97-L99 PolarHBondContact O-N 2.84Å; L97-E100 PolarHBondContact O-N 2.75Å; L97-A101 PolarHBondContact O-N 2.91Å; L97-W164 HydrophobicContact CB-CZ2 4.26Å; L97-W164 HydrophobicContact CD2-CB 4.1Å; L97-W164 VanDerWaalsContact CD2-CD1 3.47Å; L97-W164 HydrophobicContact CD2-CD2 4.18Å; L97-W164 HydrophobicContact CD2-CG 3.68Å; L97-W164 PolarHBondContact O-NE1 3.28Å; L97-A170 HydrophobicContact CD2-CB 4.16Å
98	F	97.3	Very high	93.4	Very high	4 Å²	4	54 Å²	54	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-43.2	-178.8	-87.5	-120.8	0	0	0	112.1	L34 A36 F47 K94 E95 A101 L113 F133 W164	L34-F98 HydrophobicContact CB-CE1 3.78Å; L34-F98 HydrophobicContact CB-CE2 4.35Å; L34-F98 HydrophobicContact CB-CZ 3.61Å; L34-F98 HydrophobicContact CD2-CE2 4.15Å; L34-F98 HydrophobicContact CD2-CZ 4.2Å; L34-F98 HydrophobicContact CG-CZ 4.39Å; A36-F98 HydrophobicContact CB-CB 3.86Å; A36-F98 HydrophobicContact CB-CD1 3.84Å; A36-F98 HydrophobicContact CB-CG 4.36Å; F47-F98 HydrophobicContact CD2-CB 3.92Å; F47-F98 HydrophobicContact CD2-CD1 4.08Å; F47-F98 HydrophobicContact CD2-CG 4.07Å; F47-F98 HydrophobicContact CE2-CB 3.94Å; F47-F98 AromaticContact CE2-CD1 3.82Å; F47-F98 HydrophobicContact CE2-CD1 3.82Å; F47-F98 HydrophobicContact CE2-CD2 4.12Å; F47-F98 HydrophobicContact CE2-CE1 4.35Å; F47-F98 AromaticContact CE2-CG 3.69Å; F47-F98 HydrophobicContact CE2-CG 3.69Å; K94-F98 VanDerWaalsContact O-CD2 3.25Å; K94-F98 WeakPolarHBondContact O-CD2 3.39Å; K94-F98 PolarHBondContact O-N 2.82Å; E95-F98 PolarHBondContact O-N 2.91Å; F98-A101 VanDerWaalsContact O-CB 3.3Å; F98-A101 WeakPolarHBondContact O-CB 3.45Å; F98-A101 PolarHBondContact O-N 3.35Å; F98-L113 HydrophobicContact CB-CD2 4.37Å; F98-L113 HydrophobicContact CD1-CB 4.35Å; F98-L113 HydrophobicContact CD1-CD2 3.78Å; F98-L113 HydrophobicContact CD1-CG 3.89Å; F98-L113 HydrophobicContact CE1-CD2 4.21Å; F98-L113 HydrophobicContact CE1-CG 3.98Å; F98-L113 HydrophobicContact CG-CD2 4.03Å; F98-F133 HydrophobicContact CE2-CE1 4.05Å; F98-F133 HydrophobicContact CZ-CD1 4.11Å; F98-F133 AromaticContact CZ-CE1 4Å; F98-F133 HydrophobicContact CZ-CE1 4Å; F98-W164 HydrophobicContact CD2-CH2 4.47Å; F98-W164 HydrophobicContact CD2-CZ2 4.38Å; F98-W164 HydrophobicContact CE2-CH2 4.38Å
99	L	95.7	Very high	92.4	Very high	56 Å²	56	55 Å²	55	29%	0.293	30%	0.297	S	S	.	.	H	α-helix	trans	-70.7	-32.3	178.1	-63.1	179.7	0	0	0	112.4	A46 F47 E95 K96 L97 A101 F102	A46-L99 HydrophobicContact CB-CD2 3.96Å; F47-L99 HydrophobicContact CB-CD2 4.49Å; E95-L99 HydrophobicContact CG-CD1 3.93Å; E95-L99 HydrophobicContact CG-CG 4.42Å; E95-L99 VanDerWaalsContact O-CG 3.3Å; E95-L99 WeakPolarHBondContact O-CG 3.43Å; E95-L99 PolarHBondContact O-N 2.82Å; K96-L99 PolarHBondContact O-N 3.49Å; L97-L99 PolarHBondContact O-N 2.84Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-F102 HydrophobicContact CD2-CE2 4.38Å
100	E	94.8	Very high	92.2	Very high	34 Å²	34	56.3 Å²	56.3	16%	0.159	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-28.3	172.9	-76.7	-174	-154	0	0	113	K96 L97 F102 K103 A104 R163	K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.5Å; K96-E100 VanDerWaalsContact O-CG 3.25Å; K96-E100 WeakPolarHBondContact O-CG 3.25Å; K96-E100 PolarHBondContact O-N 2.96Å; L97-E100 PolarHBondContact O-N 2.75Å; E100-F102 VanDerWaalsContact C-N 3.27Å; E100-F102 PolarHBondContact O-N 3.45Å; E100-K103 WeakPolarHBondContact O-CB 3.28Å; E100-K103 PolarHBondContact O-N 3.49Å; E100-A104 PolarHBondContact O-N 3.29Å; E100-R163 IonicContact OE2-CZ 3.49Å; E100-R163 IonicContact OE2-NE 2.8Å; E100-R163 PolarHBondContact OE2-NE 3.33Å; E100-R163 IonicContact OE2-NH2 3.85Å; E100-R163 PolarHBondContact OE2-NH2 3.12Å
101	A	96	Very high	92.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-39.2	177.1	0	0	0	0	0	111.9	L97 F98 L99 K103 A104 L105 L113 I160 W164	L97-A101 PolarHBondContact O-N 2.91Å; F98-A101 VanDerWaalsContact O-CB 3.3Å; F98-A101 WeakPolarHBondContact O-CB 3.45Å; F98-A101 PolarHBondContact O-N 3.35Å; L99-A101 VanDerWaalsContact C-N 3.32Å; A101-K103 PolarHBondContact O-N 3.22Å; A101-A104 WeakPolarHBondContact O-CB 3.34Å; A101-A104 PolarHBondContact O-N 3.16Å; A101-L105 PolarHBondContact O-N 2.86Å; A101-L105 VanDerWaalsContact O-N 3.1Å; A101-L113 HydrophobicContact CB-CD2 3.61Å; A101-I160 HydrophobicContact CB-CD1 3.95Å; A101-I160 HydrophobicContact CB-CG1 3.94Å; A101-I160 HydrophobicContact CB-CG2 3.95Å; A101-W164 HydrophobicContact CB-CZ2 3.91Å
102	F	95	Very high	92.2	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-29.9	176.1	-60.2	-42.9	0	0	0	113.3	A36 V37 L99 E100 A104 L105 Y111 L113	A36-F102 HydrophobicContact CB-CE2 3.7Å; A36-F102 HydrophobicContact CB-CZ 3.69Å; V37-F102 VanDerWaalsContact C-CE2 3.43Å; L99-F102 HydrophobicContact CD2-CE2 4.38Å; E100-F102 VanDerWaalsContact C-N 3.27Å; E100-F102 PolarHBondContact O-N 3.45Å; F102-A104 VanDerWaalsContact C-N 3.31Å; F102-L105 HydrophobicContact CD1-CD1 4.4Å; F102-Y111 HydrophobicContact CD1-CD2 4.44Å; F102-Y111 HydrophobicContact CD1-CG 4.39Å; F102-L113 HydrophobicContact CE1-CB 3.89Å; F102-L113 HydrophobicContact CZ-CB 4.07Å
103	K	92.6	Very high	92.2	Very high	169 Å²	169	53.9 Å²	53.9	74%	0.735	30%	0.3	S	S	*	.	H	α-helix	trans	-70.9	-30.4	174	-60.2	178.5	-178.3	173.4	0	111.6	E100 A101	E100-K103 WeakPolarHBondContact O-CB 3.28Å; E100-K103 PolarHBondContact O-N 3.49Å; A101-K103 PolarHBondContact O-N 3.22Å
104	A	93.3	Very high	92.3	Very high	30 Å²	30	55.6 Å²	55.6	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-77.3	-35.6	-179.8	0	0	0	0	0	113.2	E100 A101 F102 G106 R163	E100-A104 PolarHBondContact O-N 3.29Å; A101-A104 WeakPolarHBondContact O-CB 3.34Å; A101-A104 PolarHBondContact O-N 3.16Å; F102-A104 VanDerWaalsContact C-N 3.31Å; A104-G106 PolarHBondContact O-N 3.46Å; A104-R163 HydrophobicContact CB-CB 3.69Å; A104-R163 HydrophobicContact CB-CG 3.96Å
105	L	91.3	Very high	92.3	Very high	31 Å²	31	55.5 Å²	55.5	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-30.1	179.7	-70	177.2	0	0	0	112.9	A101 F102 Y111 L135 E156 I160	A101-L105 PolarHBondContact O-N 2.86Å; A101-L105 VanDerWaalsContact O-N 3.1Å; F102-L105 HydrophobicContact CD1-CD1 4.4Å; L105-Y111 HydrophobicContact CB-CE2 4.44Å; L105-Y111 HydrophobicContact CD1-CD1 3.92Å; L105-Y111 HydrophobicContact CD1-CD2 4.27Å; L105-Y111 HydrophobicContact CD1-CE1 4.2Å; L105-Y111 HydrophobicContact CD1-CG 3.97Å; L105-L135 HydrophobicContact CD1-CD1 3.89Å; L105-L135 HydrophobicContact CD1-CD2 4.21Å; L105-L135 HydrophobicContact CD2-CD2 4.31Å; L105-E156 HydrophobicContact CD2-CB 3.45Å; L105-E156 VanDerWaalsContact CD2-CB 3.45Å; L105-E156 HydrophobicContact CD2-CG 3.67Å; L105-I160 HydrophobicContact CD1-CD1 4.15Å; L105-I160 HydrophobicContact CD2-CD1 3.65Å; L105-I160 HydrophobicContact CD2-CG1 3.87Å; L105-I160 HydrophobicContact CG-CD1 3.9Å; L105-I160 HydrophobicContact CG-CG1 4.11Å
106	G	79.5	Confident	92.4	Very high	38 Å²	38	56.7 Å²	56.7	39%	0.392	32%	0.316	S	S	.	.			trans	60.4	177.3	-168.5	0	0	0	0	0	111.7	A104 Y111	A104-G106 PolarHBondContact O-N 3.46Å; G106-Y111 PolarHBondContact O-OH 3.29Å; G106-Y111 VanDerWaalsContact O-OH 3.06Å
107	G	76	Confident	92.4	Very high	73 Å²	73	50.5 Å²	50.5	75%	0.753	29%	0.289	S	S	*	.	S	Bend	trans	87.2	173.7	179.4	0	0	0	0	0	114.9
108	K	75.7	Confident	92.5	Very high	214 Å²	214	50.2 Å²	50.2	93%	0.93	29%	0.288	S	S	*	.	S	Bend	trans	-87.9	-0.3	-168.8	-77.9	-171.7	176.3	-178.3	0	115.2
109	G	77.2	Confident	92.5	Very high	33 Å²	33	50.1 Å²	50.1	34%	0.34	29%	0.287	S	S	.	.			trans	57.2	-175.4	-175	0	0	0	0	0	113.1
110	P	93.4	Very high	92.4	Very high	98 Å²	98	50.5 Å²	50.5	64%	0.636	29%	0.288	S	S	*	.			cis	-80.6	153.6	9.5	32.7	-35.8	0	0	0	113.7	S38	S38-P110 WeakPolarHBondContact OG-CA 3.26Å
111	Y	96.4	Very high	92.2	Very high	51 Å²	51	50.2 Å²	50.2	20%	0.2	29%	0.287	C	S	.	.			trans	-126.7	142.6	173.9	-61.5	-73.4	0	0	0	110.8	V37 S38 F102 L105 G106 L135 N136	V37-Y111 WeakPolarHBondContact CA-O 3.48Å; S38-Y111 PolarHBondContact N-O 3.37Å; S38-Y111 PolarHBondContact OG-N 2.68Å; F102-Y111 HydrophobicContact CD1-CD2 4.44Å; F102-Y111 HydrophobicContact CD1-CG 4.39Å; L105-Y111 HydrophobicContact CB-CE2 4.44Å; L105-Y111 HydrophobicContact CD1-CD1 3.92Å; L105-Y111 HydrophobicContact CD1-CD2 4.27Å; L105-Y111 HydrophobicContact CD1-CE1 4.2Å; L105-Y111 HydrophobicContact CD1-CG 3.97Å; G106-Y111 PolarHBondContact O-OH 3.29Å; G106-Y111 VanDerWaalsContact O-OH 3.06Å; Y111-L135 HydrophobicContact CD1-CD1 4.23Å; Y111-N136 WeakPolarHBondContact CA-OD1 3.32Å
112	T	97.8	Very high	91.6	Very high	49 Å²	49	50.9 Å²	50.9	30%	0.301	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.9	168.2	-59.5	0	0	0	0	108.3	T35 A36 V37 Q114 N136	T35-T112 HydrophobicContact CG2-CG2 4.09Å; A36-T112 WeakPolarHBondContact O-CA 3.47Å; V37-T112 HydrophobicContact CG1-CG2 4.27Å; T112-Q114 HydrophobicContact CG2-CG 4.15Å; T112-N136 PolarHBondContact N-OD1 2.95Å; T112-N136 PolarHBondContact O-N 2.88Å
113	L	98.2	Very high	90.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	176.1	179.3	65.5	0	0	0	108.8	T35 A36 F98 A101 F102 F140 W164	T35-L113 CarbonylContact C-O 3.6Å; T35-L113 WeakPolarHBondContact CA-O 3.3Å; A36-L113 PolarHBondContact N-O 2.82Å; A36-L113 PolarHBondContact O-N 2.87Å; F98-L113 HydrophobicContact CB-CD2 4.37Å; F98-L113 HydrophobicContact CD1-CB 4.35Å; F98-L113 HydrophobicContact CD1-CD2 3.78Å; F98-L113 HydrophobicContact CD1-CG 3.89Å; F98-L113 HydrophobicContact CE1-CD2 4.21Å; F98-L113 HydrophobicContact CE1-CG 3.98Å; F98-L113 HydrophobicContact CG-CD2 4.03Å; A101-L113 HydrophobicContact CB-CD2 3.61Å; F102-L113 HydrophobicContact CE1-CB 3.89Å; F102-L113 HydrophobicContact CZ-CB 4.07Å; L113-F140 HydrophobicContact CD1-CE1 3.79Å; L113-F140 HydrophobicContact CD1-CZ 3.96Å; L113-W164 HydrophobicContact CD2-CH2 4.34Å; L113-W164 HydrophobicContact CD2-CZ2 4.11Å
114	Q	98.7	Very high	90.4	Very high	79 Å²	79	52.8 Å²	52.8	37%	0.369	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.9	177.9	-64.8	174	-89	0	0	110.3	L34 T35 T112 F133 A134	L34-Q114 CarbonylContact O-C 3.58Å; L34-Q114 VanDerWaalsContact O-CA 3.23Å; L34-Q114 WeakPolarHBondContact O-CA 3.08Å; T35-Q114 HydrophobicContact CG2-CG 4.03Å; T112-Q114 HydrophobicContact CG2-CG 4.15Å; Q114-F133 CarbonylContact O-C 3.52Å; Q114-F133 WeakPolarHBondContact O-CA 3.42Å; Q114-A134 HydrophobicContact CB-CB 4.33Å; Q114-A134 PolarHBondContact N-O 3.04Å; Q114-A134 PolarHBondContact O-N 3.09Å
115	G	98.5	Very high	89.5	Confident	5 Å²	5	56.5 Å²	56.5	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.4	172.5	0	0	0	0	0	111.1	L34 K132	L34-G115 WeakPolarHBondContact CD1-O 3.38Å; L34-G115 PolarHBondContact N-O 3.29Å; L34-G115 PolarHBondContact O-N 3.4Å; G115-K132 CarbonylContact C-O 3.58Å; G115-K132 WeakPolarHBondContact CA-O 3.34Å
116	L	98.7	Very high	89.4	Confident	59 Å²	59	58.6 Å²	58.6	31%	0.309	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	105.1	168.1	-176.8	64	0	0	0	107.7	L31 H33 T130 A131 K132	L31-L116 HydrophobicContact CB-CD1 4.12Å; L31-L116 HydrophobicContact CD1-CD1 4.35Å; L31-L116 HydrophobicContact CD2-CD1 4.25Å; L31-L116 HydrophobicContact CD2-CG 4.48Å; L31-L116 HydrophobicContact CG-CD1 4.48Å; H33-L116 WeakPolarHBondContact CD2-CD1 3.48Å; L116-T130 HydrophobicContact CD2-CG2 4.27Å; L116-T130 HydrophobicContact CG-CG2 4.24Å; L116-A131 WeakPolarHBondContact O-CA 3.46Å; L116-K132 PolarHBondContact N-O 2.95Å; L116-K132 PolarHBondContact O-N 3.19Å
117	L	98.3	Very high	89.9	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	-177.3	-57.3	-178.7	0	0	0	109.7	Y32 L34 K94 T130 A131 F133 E174 F177 L178	Y32-L117 WeakPolarHBondContact CD2-O 3.46Å; Y32-L117 PolarHBondContact N-O 3.36Å; Y32-L117 PolarHBondContact O-N 3.5Å; Y32-L117 VanDerWaalsContact O-N 3.12Å; L34-L117 HydrophobicContact CD1-CB 3.99Å; L34-L117 HydrophobicContact CD1-CD1 3.69Å; L34-L117 HydrophobicContact CD1-CG 3.65Å; L34-L117 HydrophobicContact CD2-CD1 4.19Å; K94-L117 HydrophobicContact CD-CD1 3.78Å; K94-L117 VanDerWaalsContact NZ-CD1 3.31Å; L117-T130 CarbonylContact C-O 3.58Å; L117-T130 VanDerWaalsContact CA-O 3.3Å; L117-T130 WeakPolarHBondContact CA-O 3.48Å; L117-A131 HydrophobicContact CD2-CB 3.77Å; L117-F133 HydrophobicContact CD2-CE1 4.22Å; L117-F133 HydrophobicContact CD2-CE2 4.32Å; L117-F133 HydrophobicContact CD2-CZ 3.75Å; L117-E174 WeakPolarHBondContact CD1-OE1 3.06Å; L117-F177 HydrophobicContact CB-CE1 4.14Å; L117-L178 HydrophobicContact CB-CD2 4.36Å
118	G	97.8	Very high	90.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-160.9	176.6	0	0	0	0	0	114.2	L30 P129 T130 C182	L30-G118 CarbonylContact O-C 3.59Å; L30-G118 WeakPolarHBondContact O-CA 3.22Å; G118-P129 CarbonylContact O-C 3.55Å; G118-P129 WeakPolarHBondContact O-CA 3.5Å; G118-T130 PolarHBondContact N-O 2.99Å; G118-T130 PolarHBondContact O-N 2.82Å; G118-C182 VanDerWaalsContact C-SG 3.5Å
119	C	96.6	Very high	91.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	151.8	-174.6	57.4	0	0	0	0	111.1	S29 L30 S127 V128 C182	S29-C119 CarbonylContact C-O 3.56Å; S29-C119 WeakPolarHBondContact CA-O 3.37Å; L30-C119 PolarHBondContact N-O 3.42Å; L30-C119 PolarHBondContact O-N 2.97Å; C119-S127 WeakPolarHBondContact CB-OG 3.42Å; C119-V128 CarbonylContact C-O 3.52Å; C119-V128 VanDerWaalsContact CA-O 3.3Å; C119-V128 WeakPolarHBondContact CA-O 3.42Å; C119-C182 HydrophobicContact CB-CB 3.92Å; C119-C182 WeakPolarHBondContact CB-SG 3.34Å; C119-C182 PolarHBondContact N-SG 2.9Å; C119-C182 WeakPolarHBondContact SG-CB 3.39Å; C119-C182 PolarHBondContact SG-O 3.39Å; C119-C182 CovalentContact SG-SG 2.05Å; C119-C182 PolarHBondContact SG-SG 2.84Å
120	E	95.2	Very high	92.6	Very high	65 Å²	65	50.7 Å²	50.7	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.9	172.7	-176	-178.7	134.6	0	0	108.7	H27 S29 S127 V128	H27-E120 HydrophobicContact CB-CG 3.65Å; H27-E120 WeakPolarHBondContact CB-OE1 3.46Å; H27-E120 IonicContact CG-OE1 3.61Å; H27-E120 VanDerWaalsContact CG-OE1 3.31Å; H27-E120 IonicContact ND1-OE1 2.73Å; H27-E120 PolarHBondContact ND1-OE1 3.2Å; S29-E120 PolarHBondContact OG-OE2 2.65Å; E120-S127 CarbonylContact O-C 3.48Å; E120-S127 WeakPolarHBondContact O-CA 3.26Å; E120-V128 PolarHBondContact N-O 3.33Å; E120-V128 PolarHBondContact O-N 2.75Å
121	L	89.7	Confident	92.8	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.5	173.8	-69.9	173.9	0	0	0	109.7	P183 L186 R187 L190	L121-P183 HydrophobicContact CD2-CB 4.43Å; L121-L186 HydrophobicContact CB-CD2 4.5Å; L121-L186 HydrophobicContact CD1-CD2 4.03Å; L121-L186 HydrophobicContact CD1-CG 3.94Å; L121-L186 HydrophobicContact CG-CD2 3.67Å; L121-L186 HydrophobicContact CG-CG 4.14Å; L121-R187 HydrophobicContact CD1-CG 4.05Å; L121-L190 HydrophobicContact CD1-CD1 3.53Å
122	G	84.7	Confident	92.9	Very high	14 Å²	14	48 Å²	48	14%	0.144	27%	0.273	C	S	.	.			trans	-83.3	173	170.3	0	0	0	0	0	112.7	D124 N125 T126	G122-D124 VanDerWaalsContact C-N 3.28Å; G122-D124 PolarHBondContact O-N 3.26Å; G122-N125 PolarHBondContact O-N 2.94Å; G122-T126 PolarHBondContact N-O 3.43Å
123	P	80.4	Confident	92.9	Very high	106 Å²	106	45.9 Å²	45.9	69%	0.688	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.3	-174	22	-33.5	0	0	0	114	N125	P123-N125 VanDerWaalsContact C-N 3.28Å; P123-N125 PolarHBondContact O-N 3.48Å
124	D	80.2	Confident	93	Very high	134 Å²	134	46.8 Å²	46.8	72%	0.717	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	25.3	-175.9	-61	-41.8	0	0	0	113.4	G122 T126	G122-D124 VanDerWaalsContact C-N 3.28Å; G122-D124 PolarHBondContact O-N 3.26Å; D124-T126 HydrophobicContact CB-CG2 4.08Å; D124-T126 PolarHBondContact O-N 2.91Å; D124-T126 VanDerWaalsContact O-N 3.08Å
125	N	76	Confident	92.9	Very high	107 Å²	107	43.4 Å²	43.4	57%	0.572	25%	0.251	S	S	*	.	S	Bend	trans	58	19.6	-171.3	-158.9	16.2	0	0	0	113	G122 P123 R187	G122-N125 PolarHBondContact O-N 2.94Å; P123-N125 VanDerWaalsContact C-N 3.28Å; P123-N125 PolarHBondContact O-N 3.48Å; N125-R187 PolarHBondContact O-NH2 3.07Å; N125-R187 PolarHBondContact OD1-NE 3.38Å; N125-R187 PolarHBondContact OD1-NH2 3.14Å
126	T	87.8	Confident	92.8	Very high	75 Å²	75	47.6 Å²	47.6	46%	0.46	27%	0.272	S	S	.	.			trans	-80.9	148.4	173	53	0	0	0	0	109.5	G122 D124	G122-T126 PolarHBondContact N-O 3.43Å; D124-T126 HydrophobicContact CB-CG2 4.08Å; D124-T126 PolarHBondContact O-N 2.91Å; D124-T126 VanDerWaalsContact O-N 3.08Å
127	S	90.1	Very high	92.7	Very high	33 Å²	33	47.2 Å²	47.2	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.5	177.4	175.6	0	0	0	0	109.1	C119 E120 P129 P183	C119-S127 WeakPolarHBondContact CB-OG 3.42Å; E120-S127 CarbonylContact O-C 3.48Å; E120-S127 WeakPolarHBondContact O-CA 3.26Å; S127-P129 WeakPolarHBondContact O-CD 3.33Å; S127-P183 WeakPolarHBondContact OG-CB 3.37Å
128	V	93.6	Very high	92.7	Very high	79 Å²	79	53 Å²	53	48%	0.479	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	108.6	172.7	-176.6	0	0	0	0	108.3	C119 E120	C119-V128 CarbonylContact C-O 3.52Å; C119-V128 VanDerWaalsContact CA-O 3.3Å; C119-V128 WeakPolarHBondContact CA-O 3.42Å; E120-V128 PolarHBondContact N-O 3.33Å; E120-V128 PolarHBondContact O-N 2.75Å
129	P	95.6	Very high	92.7	Very high	37 Å²	37	58.4 Å²	58.4	24%	0.24	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	147.9	-178.3	32.5	-35.1	0	0	0	111.6	G118 S127 L145 L178 L179	G118-P129 CarbonylContact O-C 3.55Å; G118-P129 WeakPolarHBondContact O-CA 3.5Å; S127-P129 WeakPolarHBondContact O-CD 3.33Å; P129-L145 HydrophobicContact CB-CD1 4.04Å; P129-L145 HydrophobicContact CB-CD2 3.58Å; P129-L145 HydrophobicContact CB-CG 4.47Å; P129-L145 HydrophobicContact CG-CD1 3.65Å; P129-L145 HydrophobicContact CG-CD2 3.47Å; P129-L145 VanDerWaalsContact CG-CD2 3.47Å; P129-L145 HydrophobicContact CG-CG 4.14Å; P129-L178 HydrophobicContact CB-CB 4.2Å; P129-L179 HydrophobicContact CG-CD2 4.49Å
130	T	97	Very high	92.8	Very high	43 Å²	43	58.9 Å²	58.9	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.1	170.1	-65.1	0	0	0	0	108.9	L116 L117 G118 K132 L178	L116-T130 HydrophobicContact CD2-CG2 4.27Å; L116-T130 HydrophobicContact CG-CG2 4.24Å; L117-T130 CarbonylContact C-O 3.58Å; L117-T130 VanDerWaalsContact CA-O 3.3Å; L117-T130 WeakPolarHBondContact CA-O 3.48Å; G118-T130 PolarHBondContact N-O 2.99Å; G118-T130 PolarHBondContact O-N 2.82Å; T130-K132 HydrophobicContact CG2-CG 4.49Å; T130-L178 WeakPolarHBondContact O-CD2 3.36Å
131	A	98	Very high	92.9	Very high	8 Å²	8	55.9 Å²	55.9	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	86.3	177	0	0	0	0	0	111.5	L116 L117 N142 F143 L178	L116-A131 WeakPolarHBondContact O-CA 3.46Å; L117-A131 HydrophobicContact CD2-CB 3.77Å; A131-N142 WeakPolarHBondContact O-CA 3.48Å; A131-N142 WeakPolarHBondContact O-CB 3.34Å; A131-F143 HydrophobicContact CB-CB 3.75Å; A131-F143 PolarHBondContact O-N 3.04Å; A131-L178 HydrophobicContact CB-CD1 3.65Å; A131-L178 HydrophobicContact CB-CD2 4.36Å
132	K	98.3	Very high	93.3	Very high	85 Å²	85	58.1 Å²	58.1	37%	0.37	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.1	-176.7	-67.7	176.7	158.1	-128	0	110.8	G115 L116 T130 E139	G115-K132 CarbonylContact C-O 3.58Å; G115-K132 WeakPolarHBondContact CA-O 3.34Å; L116-K132 PolarHBondContact N-O 2.95Å; L116-K132 PolarHBondContact O-N 3.19Å; T130-K132 HydrophobicContact CG2-CG 4.49Å; K132-E139 VanDerWaalsContact NZ-CD 3.31Å; K132-E139 IonicContact NZ-OE1 3.91Å; K132-E139 PolarHBondContact NZ-OE1 2.96Å; K132-E139 IonicContact NZ-OE2 3.62Å; K132-E139 PolarHBondContact NZ-OE2 3.21Å
133	F	98.5	Very high	93.9	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.6	180	-55.2	-94.5	0	0	0	110.8	F98 Q114 L117 F140 M141 F143 W150 W164	F98-F133 HydrophobicContact CE2-CE1 4.05Å; F98-F133 HydrophobicContact CZ-CD1 4.11Å; F98-F133 AromaticContact CZ-CE1 4Å; F98-F133 HydrophobicContact CZ-CE1 4Å; Q114-F133 CarbonylContact O-C 3.52Å; Q114-F133 WeakPolarHBondContact O-CA 3.42Å; L117-F133 HydrophobicContact CD2-CE1 4.22Å; L117-F133 HydrophobicContact CD2-CE2 4.32Å; L117-F133 HydrophobicContact CD2-CZ 3.75Å; F133-F140 HydrophobicContact CB-CD1 4.48Å; F133-F140 HydrophobicContact CB-CE1 3.89Å; F133-F140 WeakPolarHBondContact O-CD1 3.36Å; F133-F140 PolarHBondContact O-N 3.12Å; F133-F140 VanDerWaalsContact O-N 3.09Å; F133-M141 HydrophobicContact CB-CB 4.21Å; F133-M141 HydrophobicContact CB-CE 4.06Å; F133-M141 HydrophobicContact CD1-CE 4.35Å; F133-M141 HydrophobicContact CD2-CE 3.92Å; F133-M141 HydrophobicContact CE2-CE 4.47Å; F133-M141 HydrophobicContact CG-CE 3.85Å; F133-M141 PolarHBondContact N-O 3.03Å; F133-M141 PolarHBondContact O-N 2.71Å; F133-F143 HydrophobicContact CE2-CB 4.37Å; F133-W150 AromaticContact CE2-CD1 3.83Å; F133-W150 AromaticContact CZ-NE1 3.95Å; F133-W164 HydrophobicContact CD1-CH2 4.07Å; F133-W164 HydrophobicContact CD1-CZ3 4.26Å; F133-W164 AromaticContact CE1-CH2 3.83Å; F133-W164 HydrophobicContact CE1-CH2 3.83Å; F133-W164 AromaticContact CE1-CZ3 3.82Å; F133-W164 HydrophobicContact CE1-CZ3 3.82Å; F133-W164 HydrophobicContact CE2-CZ3 4.47Å; F133-W164 HydrophobicContact CZ-CH2 4.41Å; F133-W164 AromaticContact CZ-CZ3 3.94Å; F133-W164 HydrophobicContact CZ-CZ3 3.94Å
134	A	98.5	Very high	94.7	Very high	19 Å²	19	55 Å²	55	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141	177	0	0	0	0	0	110.9	Q114 E138	Q114-A134 HydrophobicContact CB-CB 4.33Å; Q114-A134 PolarHBondContact N-O 3.04Å; Q114-A134 PolarHBondContact O-N 3.09Å; A134-E138 CarbonylContact C-O 3.58Å; A134-E138 WeakPolarHBondContact CA-O 3.34Å; A134-E138 WeakPolarHBondContact CB-O 3.45Å
135	L	97.6	Very high	95.5	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	175.1	-176.4	65.5	0	0	0	108.4	L105 Y111 G137 E138 F140 E156	L105-L135 HydrophobicContact CD1-CD1 3.89Å; L105-L135 HydrophobicContact CD1-CD2 4.21Å; L105-L135 HydrophobicContact CD2-CD2 4.31Å; Y111-L135 HydrophobicContact CD1-CD1 4.23Å; L135-G137 PolarHBondContact O-N 2.82Å; L135-G137 VanDerWaalsContact O-N 3.15Å; L135-E138 PolarHBondContact N-O 3.11Å; L135-E138 PolarHBondContact O-N 2.92Å; L135-E138 VanDerWaalsContact O-N 3.1Å; L135-F140 HydrophobicContact CB-CD1 3.65Å; L135-F140 HydrophobicContact CB-CD2 4.21Å; L135-F140 HydrophobicContact CB-CE1 3.77Å; L135-F140 HydrophobicContact CB-CE2 4.3Å; L135-F140 HydrophobicContact CB-CG 3.91Å; L135-F140 HydrophobicContact CB-CZ 4.11Å; L135-F140 HydrophobicContact CD2-CD2 4.47Å; L135-F140 HydrophobicContact CD2-CE2 4.37Å; L135-E156 HydrophobicContact CD2-CB 3.82Å; L135-E156 HydrophobicContact CD2-CG 3.87Å
136	N	96.5	Very high	96.3	Very high	93 Å²	93	55.4 Å²	55.4	50%	0.497	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.8	-177	-62.4	-20.2	0	0	0	114.1	Y111 T112	Y111-N136 WeakPolarHBondContact CA-OD1 3.32Å; T112-N136 PolarHBondContact N-OD1 2.95Å; T112-N136 PolarHBondContact O-N 2.88Å
137	G	96.7	Very high	96.7	Very high	51 Å²	51	58.8 Å²	58.8	53%	0.526	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-6.4	179.2	0	0	0	0	0	115.4	L135	L135-G137 PolarHBondContact O-N 2.82Å; L135-G137 VanDerWaalsContact O-N 3.15Å
138	E	98	Very high	96.9	Very high	121 Å²	121	57.5 Å²	57.5	57%	0.565	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.9	-179.1	-63	-68.9	166.9	0	0	111	A134 L135 F140 W154	A134-E138 CarbonylContact C-O 3.58Å; A134-E138 WeakPolarHBondContact CA-O 3.34Å; A134-E138 WeakPolarHBondContact CB-O 3.45Å; L135-E138 PolarHBondContact N-O 3.11Å; L135-E138 PolarHBondContact O-N 2.92Å; L135-E138 VanDerWaalsContact O-N 3.1Å; E138-F140 PolarHBondContact O-N 2.87Å; E138-W154 HydrophobicContact CB-CH2 4.15Å
139	E	98.3	Very high	97.1	Very high	115 Å²	115	55.8 Å²	55.8	54%	0.537	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	121	175.2	-174.8	173	131.5	0	0	109.6	K132	K132-E139 VanDerWaalsContact NZ-CD 3.31Å; K132-E139 IonicContact NZ-OE1 3.91Å; K132-E139 PolarHBondContact NZ-OE1 2.96Å; K132-E139 IonicContact NZ-OE2 3.62Å; K132-E139 PolarHBondContact NZ-OE2 3.21Å
140	F	97.8	Very high	97.2	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.044	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	-18.1	-171.3	85.9	-62.6	0	0	0	114.2	L113 F133 L135 E138 G152 W154 E156 A157 I160	L113-F140 HydrophobicContact CD1-CE1 3.79Å; L113-F140 HydrophobicContact CD1-CZ 3.96Å; F133-F140 HydrophobicContact CB-CD1 4.48Å; F133-F140 HydrophobicContact CB-CE1 3.89Å; F133-F140 WeakPolarHBondContact O-CD1 3.36Å; F133-F140 PolarHBondContact O-N 3.12Å; F133-F140 VanDerWaalsContact O-N 3.09Å; L135-F140 HydrophobicContact CB-CD1 3.65Å; L135-F140 HydrophobicContact CB-CD2 4.21Å; L135-F140 HydrophobicContact CB-CE1 3.77Å; L135-F140 HydrophobicContact CB-CE2 4.3Å; L135-F140 HydrophobicContact CB-CG 3.91Å; L135-F140 HydrophobicContact CB-CZ 4.11Å; L135-F140 HydrophobicContact CD2-CD2 4.47Å; L135-F140 HydrophobicContact CD2-CE2 4.37Å; E138-F140 PolarHBondContact O-N 2.87Å; F140-G152 WeakPolarHBondContact O-CA 3.36Å; F140-W154 HydrophobicContact CB-CD2 4.03Å; F140-W154 HydrophobicContact CB-CE3 4.18Å; F140-W154 HydrophobicContact CB-CG 4.25Å; F140-W154 HydrophobicContact CD2-CB 4.47Å; F140-E156 HydrophobicContact CD2-CB 4.28Å; F140-E156 HydrophobicContact CE2-CB 4.2Å; F140-A157 HydrophobicContact CD2-CB 3.65Å; F140-A157 VanDerWaalsContact CE2-CA 3.49Å; F140-A157 HydrophobicContact CE2-CB 3.84Å; F140-A157 WeakPolarHBondContact O-CB 3.4Å; F140-I160 HydrophobicContact CE2-CD1 3.97Å; F140-I160 HydrophobicContact CZ-CD1 3.73Å
141	M	98	Very high	97.1	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149	-173.7	-172.5	177.2	68.3	0	0	111.4	F133 W150 G151 A157 I160 W164	F133-M141 HydrophobicContact CB-CB 4.21Å; F133-M141 HydrophobicContact CB-CE 4.06Å; F133-M141 HydrophobicContact CD1-CE 4.35Å; F133-M141 HydrophobicContact CD2-CE 3.92Å; F133-M141 HydrophobicContact CE2-CE 4.47Å; F133-M141 HydrophobicContact CG-CE 3.85Å; F133-M141 PolarHBondContact N-O 3.03Å; F133-M141 PolarHBondContact O-N 2.71Å; M141-W150 HydrophobicContact CG-CB 4.45Å; M141-W150 HydrophobicContact SD-CB 4.05Å; M141-G151 CarbonylContact C-O 3.49Å; M141-G151 WeakPolarHBondContact CA-O 3.37Å; M141-G151 WeakPolarHBondContact CG-O 3.39Å; M141-A157 HydrophobicContact CB-CB 3.99Å; M141-A157 HydrophobicContact CG-CB 4.19Å; M141-A157 HydrophobicContact SD-CB 4.37Å; M141-I160 HydrophobicContact CE-CB 4.49Å; M141-I160 HydrophobicContact CE-CG2 3.8Å; M141-I160 HydrophobicContact SD-CB 4.31Å; M141-I160 HydrophobicContact SD-CG2 4.14Å; M141-W164 HydrophobicContact CE-CE3 4.01Å; M141-W164 HydrophobicContact CE-CH2 3.85Å; M141-W164 HydrophobicContact CE-CZ3 3.36Å
142	N	98	Very high	97	Very high	74 Å²	74	54.1 Å²	54.1	40%	0.396	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	169.3	173	66.2	72.3	0	0	0	110.8	A131 W150 G151	A131-N142 WeakPolarHBondContact O-CA 3.48Å; A131-N142 WeakPolarHBondContact O-CB 3.34Å; N142-W150 CarbonylContact O-C 3.57Å; N142-W150 WeakPolarHBondContact O-CA 3.35Å; N142-G151 PolarHBondContact N-O 2.81Å; N142-G151 PolarHBondContact O-N 3.15Å
143	F	98.2	Very high	96.9	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.6	171.4	-173.7	-110	0	0	0	110.4	A131 F133 L145 T149 W150 A171 E174 L175 L178	A131-F143 HydrophobicContact CB-CB 3.75Å; A131-F143 PolarHBondContact O-N 3.04Å; F133-F143 HydrophobicContact CE2-CB 4.37Å; F143-L145 HydrophobicContact CD1-CG 4.21Å; F143-L145 PolarHBondContact O-N 3.26Å; F143-T149 CarbonylContact C-O 3.58Å; F143-T149 WeakPolarHBondContact CD2-O 3.4Å; F143-W150 HydrophobicContact CD2-CB 4.49Å; F143-W150 AromaticContact CD2-CD1 3.52Å; F143-W150 AromaticContact CD2-CD2 3.58Å; F143-W150 HydrophobicContact CD2-CD2 3.58Å; F143-W150 AromaticContact CD2-CE2 3.44Å; F143-W150 VanDerWaalsContact CD2-CE2 3.44Å; F143-W150 HydrophobicContact CD2-CE3 4.32Å; F143-W150 AromaticContact CD2-CG 3.65Å; F143-W150 HydrophobicContact CD2-CG 3.65Å; F143-W150 HydrophobicContact CD2-CZ2 4.09Å; F143-W150 AromaticContact CD2-NE1 3.37Å; F143-W150 AromaticContact CE2-CD2 3.82Å; F143-W150 HydrophobicContact CE2-CD2 3.82Å; F143-W150 AromaticContact CE2-CE2 3.66Å; F143-W150 HydrophobicContact CE2-CE3 4.13Å; F143-W150 HydrophobicContact CE2-CG 4.34Å; F143-W150 HydrophobicContact CE2-CH2 4.22Å; F143-W150 AromaticContact CE2-CZ2 3.89Å; F143-W150 HydrophobicContact CE2-CZ2 3.89Å; F143-W150 HydrophobicContact CE2-CZ3 4.32Å; F143-W150 AromaticContact CG-NE1 3.98Å; F143-A171 HydrophobicContact CE2-CB 4.45Å; F143-A171 HydrophobicContact CZ-CB 4.47Å; F143-E174 HydrophobicContact CD1-CB 4.48Å; F143-E174 HydrophobicContact CD1-CG 3.92Å; F143-E174 HydrophobicContact CD2-CG 4.33Å; F143-E174 HydrophobicContact CE1-CB 3.94Å; F143-E174 HydrophobicContact CE1-CG 3.89Å; F143-E174 HydrophobicContact CE2-CB 4.24Å; F143-E174 HydrophobicContact CE2-CG 4.29Å; F143-E174 HydrophobicContact CG-CG 4.14Å; F143-E174 HydrophobicContact CZ-CB 3.8Å; F143-E174 HydrophobicContact CZ-CG 4.07Å; F143-L175 HydrophobicContact CE1-CD2 3.82Å; F143-L175 HydrophobicContact CE1-CG 3.94Å; F143-L175 HydrophobicContact CZ-CD2 4.29Å; F143-L175 HydrophobicContact CZ-CG 4.02Å; F143-L178 HydrophobicContact CD1-CD1 3.85Å; F143-L178 HydrophobicContact CE1-CD1 4.38Å
144	D	96.9	Very high	96.8	Very high	49 Å²	49	63 Å²	63	26%	0.262	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	107.7	174.7	-177.4	-7.1	0	0	0	109.4	K146 Q147 G148 T149	D144-K146 VanDerWaalsContact C-N 3.27Å; D144-K146 PolarHBondContact O-N 2.88Å; D144-K146 WeakPolarHBondContact OD1-CB 3.23Å; D144-K146 PolarHBondContact OD1-N 2.84Å; D144-Q147 HydrophobicContact CB-CB 4.42Å; D144-Q147 PolarHBondContact O-N 2.87Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.33Å; D144-Q147 PolarHBondContact OD2-NE2 2.87Å; D144-G148 WeakPolarHBondContact O-CA 3.2Å; D144-G148 PolarHBondContact O-N 2.87Å; D144-T149 PolarHBondContact N-O 3.04Å; D144-T149 PolarHBondContact O-N 3.29Å
145	L	95.4	Very high	96.7	Very high	43 Å²	43	66.5 Å²	66.5	23%	0.225	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.3	-180	-64.5	100.4	0	0	0	113.9	P129 F143 L175 L178 L179	P129-L145 HydrophobicContact CB-CD1 4.04Å; P129-L145 HydrophobicContact CB-CD2 3.58Å; P129-L145 HydrophobicContact CB-CG 4.47Å; P129-L145 HydrophobicContact CG-CD1 3.65Å; P129-L145 HydrophobicContact CG-CD2 3.47Å; P129-L145 VanDerWaalsContact CG-CD2 3.47Å; P129-L145 HydrophobicContact CG-CG 4.14Å; F143-L145 HydrophobicContact CD1-CG 4.21Å; F143-L145 PolarHBondContact O-N 3.26Å; L145-L175 HydrophobicContact CB-CD2 4.27Å; L145-L175 WeakPolarHBondContact O-CD2 3.43Å; L145-L178 HydrophobicContact CD2-CB 3.85Å; L145-L178 HydrophobicContact CD2-CD1 3.96Å; L145-L178 HydrophobicContact CG-CD1 4.35Å; L145-L179 HydrophobicContact CD2-CD2 3.63Å; L145-L179 HydrophobicContact CD2-CG 3.92Å
146	K	94.2	Very high	96.6	Very high	206 Å²	206	69.2 Å²	69.2	90%	0.896	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-40.3	178	-65.4	-178.7	179	177.1	0	111.1	D144	D144-K146 VanDerWaalsContact C-N 3.27Å; D144-K146 PolarHBondContact O-N 2.88Å; D144-K146 WeakPolarHBondContact OD1-CB 3.23Å; D144-K146 PolarHBondContact OD1-N 2.84Å
147	Q	94.6	Very high	96.6	Very high	145 Å²	145	64.8 Å²	64.8	68%	0.678	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-22.3	-179.7	-65	-179.7	49.9	0	0	112.4	D144 T149	D144-Q147 HydrophobicContact CB-CB 4.42Å; D144-Q147 PolarHBondContact O-N 2.87Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.33Å; D144-Q147 PolarHBondContact OD2-NE2 2.87Å; Q147-T149 HydrophobicContact CB-CG2 4.19Å; Q147-T149 WeakPolarHBondContact CB-OG1 3.35Å
148	G	95.4	Very high	96.6	Very high	7 Å²	7	66.7 Å²	66.7	7%	0.072	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	40.8	-172	0	0	0	0	0	112	D144 Q165 A171	D144-G148 WeakPolarHBondContact O-CA 3.2Å; D144-G148 PolarHBondContact O-N 2.87Å; G148-Q165 PolarHBondContact O-NE2 3.34Å; G148-A171 WeakPolarHBondContact O-CB 3.23Å
149	T	97.1	Very high	96.5	Very high	43 Å²	43	62.3 Å²	62.3	26%	0.264	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.9	-174	55.6	0	0	0	0	111.8	F143 D144 Q147	F143-T149 CarbonylContact C-O 3.58Å; F143-T149 WeakPolarHBondContact CD2-O 3.4Å; D144-T149 PolarHBondContact N-O 3.04Å; D144-T149 PolarHBondContact O-N 3.29Å; Q147-T149 HydrophobicContact CB-CG2 4.19Å; Q147-T149 WeakPolarHBondContact CB-OG1 3.35Å
150	W	98	Very high	96.5	Very high	6 Å²	6	56.8 Å²	56.8	2%	0.023	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.5	166.6	-62.8	-88.2	0	0	0	109.8	F133 M141 N142 F143 S161 W164 Q165 A170 A171 E174	F133-W150 AromaticContact CE2-CD1 3.83Å; F133-W150 AromaticContact CZ-NE1 3.95Å; M141-W150 HydrophobicContact CG-CB 4.45Å; M141-W150 HydrophobicContact SD-CB 4.05Å; N142-W150 CarbonylContact O-C 3.57Å; N142-W150 WeakPolarHBondContact O-CA 3.35Å; F143-W150 HydrophobicContact CD2-CB 4.49Å; F143-W150 AromaticContact CD2-CD1 3.52Å; F143-W150 AromaticContact CD2-CD2 3.58Å; F143-W150 HydrophobicContact CD2-CD2 3.58Å; F143-W150 AromaticContact CD2-CE2 3.44Å; F143-W150 VanDerWaalsContact CD2-CE2 3.44Å; F143-W150 HydrophobicContact CD2-CE3 4.32Å; F143-W150 AromaticContact CD2-CG 3.65Å; F143-W150 HydrophobicContact CD2-CG 3.65Å; F143-W150 HydrophobicContact CD2-CZ2 4.09Å; F143-W150 AromaticContact CD2-NE1 3.37Å; F143-W150 AromaticContact CE2-CD2 3.82Å; F143-W150 HydrophobicContact CE2-CD2 3.82Å; F143-W150 AromaticContact CE2-CE2 3.66Å; F143-W150 HydrophobicContact CE2-CE3 4.13Å; F143-W150 HydrophobicContact CE2-CG 4.34Å; F143-W150 HydrophobicContact CE2-CH2 4.22Å; F143-W150 AromaticContact CE2-CZ2 3.89Å; F143-W150 HydrophobicContact CE2-CZ2 3.89Å; F143-W150 HydrophobicContact CE2-CZ3 4.32Å; F143-W150 AromaticContact CG-NE1 3.98Å; W150-S161 WeakPolarHBondContact O-CB 3.36Å; W150-S161 PolarHBondContact O-OG 2.96Å; W150-W164 AromaticContact CD1-CE3 3.63Å; W150-W164 AromaticContact CD1-CZ3 3.74Å; W150-W164 HydrophobicContact CD2-CB 4.21Å; W150-W164 AromaticContact CD2-CE3 3.81Å; W150-W164 HydrophobicContact CD2-CE3 3.81Å; W150-W164 AromaticContact CE2-CE3 3.62Å; W150-W164 HydrophobicContact CE3-CB 3.81Å; W150-W164 AromaticContact CG-CE3 3.82Å; W150-W164 HydrophobicContact CG-CE3 3.82Å; W150-W164 HydrophobicContact CG-CZ3 4.35Å; W150-W164 HydrophobicContact CH2-CB 4.05Å; W150-W164 HydrophobicContact CZ2-CB 4.45Å; W150-W164 HydrophobicContact CZ2-CE3 4.21Å; W150-W164 HydrophobicContact CZ3-CB 3.74Å; W150-W164 AromaticContact NE1-CE3 3.5Å; W150-W164 AromaticContact NE1-CZ3 3.66Å; W150-Q165 VanDerWaalsContact CE3-OE1 3.25Å; W150-Q165 VanDerWaalsContact CZ3-OE1 3.31Å; W150-A170 HydrophobicContact CH2-CB 3.84Å; W150-A170 HydrophobicContact CZ3-CB 4.47Å; W150-A171 HydrophobicContact CH2-CB 4.09Å; W150-A171 HydrophobicContact CZ3-CB 3.98Å; W150-E174 HydrophobicContact CZ2-CB 3.98Å; W150-E174 HydrophobicContact CZ2-CG 4.03Å
151	G	95.9	Very high	96.4	Very high	25 Å²	25	57.1 Å²	57.1	26%	0.258	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.7	-177.1	0	0	0	0	0	113	M141 N142	M141-G151 CarbonylContact C-O 3.49Å; M141-G151 WeakPolarHBondContact CA-O 3.37Å; M141-G151 WeakPolarHBondContact CG-O 3.39Å; N142-G151 PolarHBondContact N-O 2.81Å; N142-G151 PolarHBondContact O-N 3.15Å
152	G	95.8	Very high	96.4	Very high	21 Å²	21	62.7 Å²	62.7	22%	0.216	33%	0.329	C	S	.	.			trans	-179	156.7	176.2	0	0	0	0	0	110.2	F140 W154	F140-G152 WeakPolarHBondContact O-CA 3.36Å; G152-W154 VanDerWaalsContact C-N 3.31Å
153	D	96.5	Very high	96.3	Very high	164 Å²	164	63.6 Å²	63.6	88%	0.877	33%	0.327	S	S	*	.	S	Bend	trans	-78.9	-17.6	-174.5	-64	-26.1	0	0	0	112.9
154	W	96.2	Very high	96.2	Very high	112 Å²	112	63.5 Å²	63.5	42%	0.424	33%	0.327	S	S	.	.	S	Bend	trans	-79.6	146.6	-173.8	-72.4	35.9	0	0	0	111.7	E138 F140 G152 E156 A157 L158	E138-W154 HydrophobicContact CB-CH2 4.15Å; F140-W154 HydrophobicContact CB-CD2 4.03Å; F140-W154 HydrophobicContact CB-CE3 4.18Å; F140-W154 HydrophobicContact CB-CG 4.25Å; F140-W154 HydrophobicContact CD2-CB 4.47Å; G152-W154 VanDerWaalsContact C-N 3.31Å; W154-E156 PolarHBondContact O-N 3.1Å; W154-A157 HydrophobicContact CB-CB 4.17Å; W154-A157 WeakPolarHBondContact O-CB 3.11Å; W154-A157 PolarHBondContact O-N 2.89Å; W154-L158 PolarHBondContact O-N 3.35Å
155	P	95.8	Very high	96.2	Very high	93 Å²	93	65.1 Å²	65.1	60%	0.604	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-33.6	175.1	23.1	-29.8	0	0	0	112.1	L158 A159	P155-L158 PolarHBondContact O-N 2.83Å; P155-A159 WeakPolarHBondContact O-CB 3.37Å; P155-A159 PolarHBondContact O-N 2.95Å
156	E	95.7	Very high	96.1	Very high	66 Å²	66	69.9 Å²	69.9	31%	0.308	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-40.8	172.9	-66.6	84.9	178.5	0	0	112.2	L105 L135 F140 W154 A159 I160	L105-E156 HydrophobicContact CD2-CB 3.45Å; L105-E156 VanDerWaalsContact CD2-CB 3.45Å; L105-E156 HydrophobicContact CD2-CG 3.67Å; L135-E156 HydrophobicContact CD2-CB 3.82Å; L135-E156 HydrophobicContact CD2-CG 3.87Å; F140-E156 HydrophobicContact CD2-CB 4.28Å; F140-E156 HydrophobicContact CE2-CB 4.2Å; W154-E156 PolarHBondContact O-N 3.1Å; E156-A159 PolarHBondContact O-N 3.25Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; E156-I160 PolarHBondContact O-N 3Å
157	A	97.1	Very high	96.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-43.2	176.8	0	0	0	0	0	110.8	F140 M141 W154 I160 S161	F140-A157 HydrophobicContact CD2-CB 3.65Å; F140-A157 VanDerWaalsContact CE2-CA 3.49Å; F140-A157 HydrophobicContact CE2-CB 3.84Å; F140-A157 WeakPolarHBondContact O-CB 3.4Å; M141-A157 HydrophobicContact CB-CB 3.99Å; M141-A157 HydrophobicContact CG-CB 4.19Å; M141-A157 HydrophobicContact SD-CB 4.37Å; W154-A157 HydrophobicContact CB-CB 4.17Å; W154-A157 WeakPolarHBondContact O-CB 3.11Å; W154-A157 PolarHBondContact O-N 2.89Å; A157-I160 PolarHBondContact O-N 3.39Å; A157-S161 WeakPolarHBondContact O-CB 3.48Å; A157-S161 PolarHBondContact O-N 3.31Å
158	L	96.2	Very high	95.9	Very high	92 Å²	92	61.7 Å²	61.7	48%	0.482	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-43.3	175.4	-68.3	171.8	0	0	0	111.9	W154 P155 S161 Q162	W154-L158 PolarHBondContact O-N 3.35Å; P155-L158 PolarHBondContact O-N 2.83Å; L158-S161 PolarHBondContact O-N 3.2Å; L158-Q162 WeakPolarHBondContact O-CB 3.47Å; L158-Q162 VanDerWaalsContact O-CG 3.25Å; L158-Q162 WeakPolarHBondContact O-CG 3.48Å; L158-Q162 PolarHBondContact O-N 3.22Å
159	A	96	Very high	95.9	Very high	28 Å²	28	67.3 Å²	67.3	23%	0.231	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-46.7	178.7	0	0	0	0	0	112.1	P155 E156 R163	P155-A159 WeakPolarHBondContact O-CB 3.37Å; P155-A159 PolarHBondContact O-N 2.95Å; E156-A159 PolarHBondContact O-N 3.25Å; A159-R163 WeakPolarHBondContact O-CB 3.48Å; A159-R163 PolarHBondContact O-N 3.22Å; A159-R163 VanDerWaalsContact O-N 3.15Å
160	I	97.2	Very high	95.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-45.8	177.6	-67.3	171.5	0	0	0	110.8	A101 L105 F140 M141 E156 A157 Q162 R163 W164	A101-I160 HydrophobicContact CB-CD1 3.95Å; A101-I160 HydrophobicContact CB-CG1 3.94Å; A101-I160 HydrophobicContact CB-CG2 3.95Å; L105-I160 HydrophobicContact CD1-CD1 4.15Å; L105-I160 HydrophobicContact CD2-CD1 3.65Å; L105-I160 HydrophobicContact CD2-CG1 3.87Å; L105-I160 HydrophobicContact CG-CD1 3.9Å; L105-I160 HydrophobicContact CG-CG1 4.11Å; F140-I160 HydrophobicContact CE2-CD1 3.97Å; F140-I160 HydrophobicContact CZ-CD1 3.73Å; M141-I160 HydrophobicContact CE-CB 4.49Å; M141-I160 HydrophobicContact CE-CG2 3.8Å; M141-I160 HydrophobicContact SD-CB 4.31Å; M141-I160 HydrophobicContact SD-CG2 4.14Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; E156-I160 PolarHBondContact O-N 3Å; A157-I160 PolarHBondContact O-N 3.39Å; I160-Q162 PolarHBondContact O-N 3.4Å; I160-R163 WeakPolarHBondContact O-CB 3.5Å; I160-R163 PolarHBondContact O-N 2.95Å; I160-R163 VanDerWaalsContact O-N 3.14Å; I160-W164 HydrophobicContact CG2-CD2 3.61Å; I160-W164 VanDerWaalsContact CG2-CE2 3.49Å; I160-W164 HydrophobicContact CG2-CE3 3.89Å; I160-W164 HydrophobicContact CG2-CG 4.21Å; I160-W164 HydrophobicContact CG2-CH2 3.99Å; I160-W164 HydrophobicContact CG2-CZ2 3.7Å; I160-W164 HydrophobicContact CG2-CZ3 4.08Å; I160-W164 PolarHBondContact O-N 3.43Å
161	S	97.3	Very high	95.7	Very high	17 Å²	17	65.8 Å²	65.8	12%	0.119	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-50	178.3	169.8	0	0	0	0	111.5	W150 A157 L158 R163 W164 Q165	W150-S161 WeakPolarHBondContact O-CB 3.36Å; W150-S161 PolarHBondContact O-OG 2.96Å; A157-S161 WeakPolarHBondContact O-CB 3.48Å; A157-S161 PolarHBondContact O-N 3.31Å; L158-S161 PolarHBondContact O-N 3.2Å; S161-R163 VanDerWaalsContact C-N 3.31Å; S161-R163 PolarHBondContact O-N 3.16Å; S161-W164 PolarHBondContact O-N 3.05Å; S161-Q165 VanDerWaalsContact O-CB 3.29Å; S161-Q165 WeakPolarHBondContact O-CB 3.48Å; S161-Q165 PolarHBondContact O-N 3.27Å
162	Q	96.1	Very high	95.7	Very high	119 Å²	119	69.4 Å²	69.4	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-59.6	-42.5	177.1	-73.7	175.7	6.3	0	0	111.8	L158 I160 Q166	L158-Q162 WeakPolarHBondContact O-CB 3.47Å; L158-Q162 VanDerWaalsContact O-CG 3.25Å; L158-Q162 WeakPolarHBondContact O-CG 3.48Å; L158-Q162 PolarHBondContact O-N 3.22Å; I160-Q162 PolarHBondContact O-N 3.4Å; Q162-Q166 VanDerWaalsContact O-CG 3.22Å; Q162-Q166 WeakPolarHBondContact O-CG 3.12Å; Q162-Q166 PolarHBondContact O-N 2.94Å; Q162-Q166 VanDerWaalsContact O-N 3.13Å
163	R	96.3	Very high	95.8	Very high	94 Å²	94	73.1 Å²	73.1	36%	0.355	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-46.9	179	177.6	64.6	-167.5	147.4	4.3	111.9	E100 A104 A159 I160 S161 Q166	E100-R163 IonicContact OE2-CZ 3.49Å; E100-R163 IonicContact OE2-NE 2.8Å; E100-R163 PolarHBondContact OE2-NE 3.33Å; E100-R163 IonicContact OE2-NH2 3.85Å; E100-R163 PolarHBondContact OE2-NH2 3.12Å; A104-R163 HydrophobicContact CB-CB 3.69Å; A104-R163 HydrophobicContact CB-CG 3.96Å; A159-R163 WeakPolarHBondContact O-CB 3.48Å; A159-R163 PolarHBondContact O-N 3.22Å; A159-R163 VanDerWaalsContact O-N 3.15Å; I160-R163 WeakPolarHBondContact O-CB 3.5Å; I160-R163 PolarHBondContact O-N 2.95Å; I160-R163 VanDerWaalsContact O-N 3.14Å; S161-R163 VanDerWaalsContact C-N 3.31Å; S161-R163 PolarHBondContact O-N 3.16Å; R163-Q166 PolarHBondContact O-N 3.5Å
164	W	97.3	Very high	95.8	Very high	3 Å²	3	65.7 Å²	65.7	1%	0.011	32%	0.322	C	S	.	.	H	α-helix	trans	-70.3	-37.3	180	-69.4	-7.9	0	0	0	112.2	L97 F98 A101 L113 F133 M141 W150 I160 S161 Q166 Q167 A170	L97-W164 HydrophobicContact CB-CZ2 4.26Å; L97-W164 HydrophobicContact CD2-CB 4.1Å; L97-W164 VanDerWaalsContact CD2-CD1 3.47Å; L97-W164 HydrophobicContact CD2-CD2 4.18Å; L97-W164 HydrophobicContact CD2-CG 3.68Å; L97-W164 PolarHBondContact O-NE1 3.28Å; F98-W164 HydrophobicContact CD2-CH2 4.47Å; F98-W164 HydrophobicContact CD2-CZ2 4.38Å; F98-W164 HydrophobicContact CE2-CH2 4.38Å; A101-W164 HydrophobicContact CB-CZ2 3.91Å; L113-W164 HydrophobicContact CD2-CH2 4.34Å; L113-W164 HydrophobicContact CD2-CZ2 4.11Å; F133-W164 HydrophobicContact CD1-CH2 4.07Å; F133-W164 HydrophobicContact CD1-CZ3 4.26Å; F133-W164 AromaticContact CE1-CH2 3.83Å; F133-W164 HydrophobicContact CE1-CH2 3.83Å; F133-W164 AromaticContact CE1-CZ3 3.82Å; F133-W164 HydrophobicContact CE1-CZ3 3.82Å; F133-W164 HydrophobicContact CE2-CZ3 4.47Å; F133-W164 HydrophobicContact CZ-CH2 4.41Å; F133-W164 AromaticContact CZ-CZ3 3.94Å; F133-W164 HydrophobicContact CZ-CZ3 3.94Å; M141-W164 HydrophobicContact CE-CE3 4.01Å; M141-W164 HydrophobicContact CE-CH2 3.85Å; M141-W164 HydrophobicContact CE-CZ3 3.36Å; W150-W164 AromaticContact CD1-CE3 3.63Å; W150-W164 AromaticContact CD1-CZ3 3.74Å; W150-W164 HydrophobicContact CD2-CB 4.21Å; W150-W164 AromaticContact CD2-CE3 3.81Å; W150-W164 HydrophobicContact CD2-CE3 3.81Å; W150-W164 AromaticContact CE2-CE3 3.62Å; W150-W164 HydrophobicContact CE3-CB 3.81Å; W150-W164 AromaticContact CG-CE3 3.82Å; W150-W164 HydrophobicContact CG-CE3 3.82Å; W150-W164 HydrophobicContact CG-CZ3 4.35Å; W150-W164 HydrophobicContact CH2-CB 4.05Å; W150-W164 HydrophobicContact CZ2-CB 4.45Å; W150-W164 HydrophobicContact CZ2-CE3 4.21Å; W150-W164 HydrophobicContact CZ3-CB 3.74Å; W150-W164 AromaticContact NE1-CE3 3.5Å; W150-W164 AromaticContact NE1-CZ3 3.66Å; I160-W164 HydrophobicContact CG2-CD2 3.61Å; I160-W164 VanDerWaalsContact CG2-CE2 3.49Å; I160-W164 HydrophobicContact CG2-CE3 3.89Å; I160-W164 HydrophobicContact CG2-CG 4.21Å; I160-W164 HydrophobicContact CG2-CH2 3.99Å; I160-W164 HydrophobicContact CG2-CZ2 3.7Å; I160-W164 HydrophobicContact CG2-CZ3 4.08Å; I160-W164 PolarHBondContact O-N 3.43Å; S161-W164 PolarHBondContact O-N 3.05Å; W164-Q166 VanDerWaalsContact C-N 3.28Å; W164-Q166 PolarHBondContact O-N 2.05Å; W164-Q167 WeakPolarHBondContact O-CB 3.46Å; W164-Q167 PolarHBondContact O-N 3.45Å; W164-Q167 VanDerWaalsContact O-N 3.1Å; W164-A170 WeakPolarHBondContact O-CB 3.36Å
165	Q	95.6	Very high	95.8	Very high	83 Å²	83	62 Å²	62	39%	0.388	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-30.4	177.5	-157.6	69.3	22.8	0	0	112.6	G148 W150 S161 Q167	G148-Q165 PolarHBondContact O-NE2 3.34Å; W150-Q165 VanDerWaalsContact CE3-OE1 3.25Å; W150-Q165 VanDerWaalsContact CZ3-OE1 3.31Å; S161-Q165 VanDerWaalsContact O-CB 3.29Å; S161-Q165 WeakPolarHBondContact O-CB 3.48Å; S161-Q165 PolarHBondContact O-N 3.27Å; Q165-Q167 VanDerWaalsContact C-N 3.28Å; Q165-Q167 PolarHBondContact O-N 2.85Å
166	Q	94.7	Very high	95.9	Very high	143 Å²	143	61 Å²	61	67%	0.668	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18	174.6	-73.7	171	12	0	0	113.4	Q162 R163 W164	Q162-Q166 VanDerWaalsContact O-CG 3.22Å; Q162-Q166 WeakPolarHBondContact O-CG 3.12Å; Q162-Q166 PolarHBondContact O-N 2.94Å; Q162-Q166 VanDerWaalsContact O-N 3.13Å; R163-Q166 PolarHBondContact O-N 3.5Å; W164-Q166 VanDerWaalsContact C-N 3.28Å; W164-Q166 PolarHBondContact O-N 2.05Å
167	Q	93.6	Very high	96	Very high	53 Å²	53	58.1 Å²	58.1	25%	0.248	29%	0.289	C	S	.	.	S	Bend	trans	-78.3	128	-179.2	-171.8	167.4	17.4	0	0	110.6	W164 Q165 K169 A170	W164-Q167 WeakPolarHBondContact O-CB 3.46Å; W164-Q167 PolarHBondContact O-N 3.45Å; W164-Q167 VanDerWaalsContact O-N 3.1Å; Q165-Q167 VanDerWaalsContact C-N 3.28Å; Q165-Q167 PolarHBondContact O-N 2.85Å; Q167-K169 PolarHBondContact O-N 2.86Å; Q167-K169 VanDerWaalsContact O-N 3.16Å; Q167-A170 HydrophobicContact CB-CB 4Å; Q167-A170 HydrophobicContact CG-CB 4.37Å; Q167-A170 WeakPolarHBondContact O-CB 3.08Å; Q167-A170 PolarHBondContact O-N 2.93Å; Q167-A170 VanDerWaalsContact O-N 3.11Å
168	D	91.1	Very high	96	Very high	127 Å²	127	58.1 Å²	58.1	68%	0.679	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	123.3	-173.8	-173.6	40.1	0	0	0	111.9	A170	D168-A170 PolarHBondContact O-N 2.77Å; D168-A170 VanDerWaalsContact O-N 3.1Å
169	K	93.7	Very high	96	Very high	125 Å²	125	57.1 Å²	57.1	54%	0.543	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	12.8	178.8	-55.1	172.6	-171	178.4	0	115.7	Q167 A171 N172 K173	Q167-K169 PolarHBondContact O-N 2.86Å; Q167-K169 VanDerWaalsContact O-N 3.16Å; K169-A171 PolarHBondContact O-N 2.94Å; K169-N172 PolarHBondContact O-N 2.82Å; K169-K173 WeakPolarHBondContact O-CB 3.43Å; K169-K173 VanDerWaalsContact O-CG 3.32Å; K169-K173 WeakPolarHBondContact O-CG 3.22Å; K169-K173 PolarHBondContact O-N 2.88Å
170	A	95.7	Very high	95.9	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-50	-179.7	0	0	0	0	0	111.5	L97 W150 W164 Q167 D168 N172 K173 E174	L97-A170 HydrophobicContact CD2-CB 4.16Å; W150-A170 HydrophobicContact CH2-CB 3.84Å; W150-A170 HydrophobicContact CZ3-CB 4.47Å; W164-A170 WeakPolarHBondContact O-CB 3.36Å; Q167-A170 HydrophobicContact CB-CB 4Å; Q167-A170 HydrophobicContact CG-CB 4.37Å; Q167-A170 WeakPolarHBondContact O-CB 3.08Å; Q167-A170 PolarHBondContact O-N 2.93Å; Q167-A170 VanDerWaalsContact O-N 3.11Å; D168-A170 PolarHBondContact O-N 2.77Å; D168-A170 VanDerWaalsContact O-N 3.1Å; A170-N172 PolarHBondContact O-N 3.16Å; A170-K173 PolarHBondContact O-N 2.78Å; A170-E174 PolarHBondContact O-N 3.36Å
171	A	96.4	Very high	95.9	Very high	12 Å²	12	63.9 Å²	63.9	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-41.7	178.6	0	0	0	0	0	112.6	F143 G148 W150 K169 K173 E174 L175	F143-A171 HydrophobicContact CE2-CB 4.45Å; F143-A171 HydrophobicContact CZ-CB 4.47Å; G148-A171 WeakPolarHBondContact O-CB 3.23Å; W150-A171 HydrophobicContact CH2-CB 4.09Å; W150-A171 HydrophobicContact CZ3-CB 3.98Å; K169-A171 PolarHBondContact O-N 2.94Å; A171-K173 VanDerWaalsContact C-N 3.33Å; A171-K173 PolarHBondContact O-N 2.83Å; A171-E174 PolarHBondContact O-N 3.39Å; A171-L175 WeakPolarHBondContact O-CG 3.4Å; A171-L175 PolarHBondContact O-N 3.01Å
172	N	96.4	Very high	95.8	Very high	102 Å²	102	63.1 Å²	63.1	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-37.5	177.7	-71.3	-21.2	0	0	0	112.3	K169 A170 T176	K169-N172 PolarHBondContact O-N 2.82Å; A170-N172 PolarHBondContact O-N 3.16Å; N172-T176 WeakPolarHBondContact O-CB 3.36Å; N172-T176 PolarHBondContact O-N 2.99Å; N172-T176 PolarHBondContact O-OG1 2.98Å
173	K	96.3	Very high	95.8	Very high	98 Å²	98	57.6 Å²	57.6	43%	0.426	28%	0.281	S	S	.	.	H	α-helix	trans	-67.7	-40	174.7	-72.8	171.7	172.1	-174.7	0	111.4	I93 K169 A170 A171 T176 F177	I93-K173 HydrophobicContact CD1-CD 4.1Å; I93-K173 HydrophobicContact CG2-CD 4.18Å; K169-K173 WeakPolarHBondContact O-CB 3.43Å; K169-K173 VanDerWaalsContact O-CG 3.32Å; K169-K173 WeakPolarHBondContact O-CG 3.22Å; K169-K173 PolarHBondContact O-N 2.88Å; A170-K173 PolarHBondContact O-N 2.78Å; A171-K173 VanDerWaalsContact C-N 3.33Å; A171-K173 PolarHBondContact O-N 2.83Å; K173-T176 PolarHBondContact O-N 3.26Å; K173-F177 WeakPolarHBondContact O-CB 3.27Å; K173-F177 PolarHBondContact O-N 3.31Å
174	E	97.1	Very high	95.7	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-44.3	176.6	-157.2	61.6	-142.8	0	0	111.4	K94 L117 F143 W150 A170 A171 T176 F177 L178	K94-E174 IonicContact NZ-OE1 2.86Å; K94-E174 PolarHBondContact NZ-OE1 3.47Å; K94-E174 IonicContact NZ-OE2 3.78Å; K94-E174 PolarHBondContact NZ-OE2 2.94Å; L117-E174 WeakPolarHBondContact CD1-OE1 3.06Å; F143-E174 HydrophobicContact CD1-CB 4.48Å; F143-E174 HydrophobicContact CD1-CG 3.92Å; F143-E174 HydrophobicContact CD2-CG 4.33Å; F143-E174 HydrophobicContact CE1-CB 3.94Å; F143-E174 HydrophobicContact CE1-CG 3.89Å; F143-E174 HydrophobicContact CE2-CB 4.24Å; F143-E174 HydrophobicContact CE2-CG 4.29Å; F143-E174 HydrophobicContact CG-CG 4.14Å; F143-E174 HydrophobicContact CZ-CB 3.8Å; F143-E174 HydrophobicContact CZ-CG 4.07Å; W150-E174 HydrophobicContact CZ2-CB 3.98Å; W150-E174 HydrophobicContact CZ2-CG 4.03Å; A170-E174 PolarHBondContact O-N 3.36Å; A171-E174 PolarHBondContact O-N 3.39Å; E174-T176 PolarHBondContact O-N 3.48Å; E174-F177 PolarHBondContact O-N 3.06Å; E174-L178 HydrophobicContact CG-CD1 4.25Å; E174-L178 WeakPolarHBondContact O-CG 3.35Å; E174-L178 PolarHBondContact O-N 2.81Å
175	L	97.2	Very high	95.7	Very high	36 Å²	36	58.2 Å²	58.2	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-46.7	171.2	-74.2	170.6	0	0	0	111.8	F143 L145 A171 F177 L178 L179	F143-L175 HydrophobicContact CE1-CD2 3.82Å; F143-L175 HydrophobicContact CE1-CG 3.94Å; F143-L175 HydrophobicContact CZ-CD2 4.29Å; F143-L175 HydrophobicContact CZ-CG 4.02Å; L145-L175 HydrophobicContact CB-CD2 4.27Å; L145-L175 WeakPolarHBondContact O-CD2 3.43Å; A171-L175 WeakPolarHBondContact O-CG 3.4Å; A171-L175 PolarHBondContact O-N 3.01Å; L175-F177 VanDerWaalsContact C-N 3.31Å; L175-F177 PolarHBondContact O-N 2.84Å; L175-L178 PolarHBondContact O-N 3.31Å; L175-L179 HydrophobicContact CD2-CD1 4.07Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.08Å; L175-L179 WeakPolarHBondContact O-CG 3.45Å; L175-L179 PolarHBondContact O-N 2.64Å
176	T	97.2	Very high	95.7	Very high	71 Å²	71	54.2 Å²	54.2	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-38.6	-179.7	-57.1	0	0	0	0	111.9	N172 K173 E174 F180 S181	N172-T176 WeakPolarHBondContact O-CB 3.36Å; N172-T176 PolarHBondContact O-N 2.99Å; N172-T176 PolarHBondContact O-OG1 2.98Å; K173-T176 PolarHBondContact O-N 3.26Å; E174-T176 PolarHBondContact O-N 3.48Å; T176-F180 WeakPolarHBondContact O-CB 3.33Å; T176-F180 PolarHBondContact O-N 2.74Å; T176-S181 PolarHBondContact O-N 2.81Å; T176-S181 PolarHBondContact O-OG 3.09Å
177	F	97.3	Very high	95.6	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.022	25%	0.25	C	C	.	.	I	π-helix	trans	-63.5	-53	177.1	-180	-95.5	0	0	0	111.2	Y32 D90 L117 K173 E174 L175 S181 C182	Y32-F177 HydrophobicContact CD1-CZ 4.48Å; Y32-F177 HydrophobicContact CD2-CE1 4.23Å; Y32-F177 AromaticContact CD2-CZ 3.74Å; Y32-F177 HydrophobicContact CD2-CZ 3.74Å; Y32-F177 HydrophobicContact CE1-CZ 4.36Å; Y32-F177 HydrophobicContact CE2-CE1 4.34Å; Y32-F177 HydrophobicContact CE2-CE2 4.47Å; Y32-F177 AromaticContact CE2-CZ 3.63Å; Y32-F177 HydrophobicContact CE2-CZ 3.63Å; Y32-F177 HydrophobicContact CG-CZ 4.18Å; Y32-F177 AromaticContact CZ-CZ 3.95Å; D90-F177 HydrophobicContact CB-CD2 4.17Å; D90-F177 HydrophobicContact CB-CE2 4.27Å; L117-F177 HydrophobicContact CB-CE1 4.14Å; K173-F177 WeakPolarHBondContact O-CB 3.27Å; K173-F177 PolarHBondContact O-N 3.31Å; E174-F177 PolarHBondContact O-N 3.06Å; L175-F177 VanDerWaalsContact C-N 3.31Å; L175-F177 PolarHBondContact O-N 2.84Å; F177-S181 PolarHBondContact O-N 2.88Å; F177-C182 WeakPolarHBondContact O-CB 3.31Å; F177-C182 PolarHBondContact O-N 3.44Å
178	L	97.1	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-74	-40.5	-174.2	-66.1	167.4	0	0	0	113.3	L117 P129 T130 A131 F143 L145 E174 L175 P183	L117-L178 HydrophobicContact CB-CD2 4.36Å; P129-L178 HydrophobicContact CB-CB 4.2Å; T130-L178 WeakPolarHBondContact O-CD2 3.36Å; A131-L178 HydrophobicContact CB-CD1 3.65Å; A131-L178 HydrophobicContact CB-CD2 4.36Å; F143-L178 HydrophobicContact CD1-CD1 3.85Å; F143-L178 HydrophobicContact CE1-CD1 4.38Å; L145-L178 HydrophobicContact CD2-CB 3.85Å; L145-L178 HydrophobicContact CD2-CD1 3.96Å; L145-L178 HydrophobicContact CG-CD1 4.35Å; E174-L178 HydrophobicContact CG-CD1 4.25Å; E174-L178 WeakPolarHBondContact O-CG 3.35Å; E174-L178 PolarHBondContact O-N 2.81Å; L175-L178 PolarHBondContact O-N 3.31Å; L178-P183 WeakPolarHBondContact O-CD 3.49Å
179	L	95.6	Very high	95.8	Very high	72 Å²	72	43.4 Å²	43.4	38%	0.377	21%	0.211	S	C	.	.	I	π-helix	trans	-88	-27.5	-172.6	-64.2	177.2	0	0	0	114.1	P129 L145 L175 P183	P129-L179 HydrophobicContact CG-CD2 4.49Å; L145-L179 HydrophobicContact CD2-CD2 3.63Å; L145-L179 HydrophobicContact CD2-CG 3.92Å; L175-L179 HydrophobicContact CD2-CD1 4.07Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.08Å; L175-L179 WeakPolarHBondContact O-CG 3.45Å; L175-L179 PolarHBondContact O-N 2.64Å; L179-P183 VanDerWaalsContact O-CG 3.23Å; L179-P183 WeakPolarHBondContact O-CG 3.34Å
180	F	95.4	Very high	95.8	Very high	143 Å²	143	40 Å²	40	63%	0.627	20%	0.198	S	C	*	.	I	π-helix	trans	-121.3	-54	-175.3	-59.8	-78.9	0	0	0	112.3	T176 P183 H184	T176-F180 WeakPolarHBondContact O-CB 3.33Å; T176-F180 PolarHBondContact O-N 2.74Å; F180-P183 WeakPolarHBondContact O-CD 3.43Å; F180-H184 WeakPolarHBondContact O-CB 3.42Å; F180-H184 PolarHBondContact O-N 2.93Å
181	S	96.3	Very high	95.6	Very high	27 Å²	27	46.7 Å²	46.7	19%	0.189	23%	0.229	C	C	.	.	I	π-helix	trans	-67.5	-48.6	-171.6	-51.3	0	0	0	0	111.8	T176 F177 H184 R185	T176-S181 PolarHBondContact O-N 2.81Å; T176-S181 PolarHBondContact O-OG 3.09Å; F177-S181 PolarHBondContact O-N 2.88Å; S181-H184 PolarHBondContact O-N 3.41Å; S181-R185 WeakPolarHBondContact O-CD 3.3Å; S181-R185 WeakPolarHBondContact O-CG 3.41Å; S181-R185 PolarHBondContact O-N 3.43Å
182	C	96.3	Very high	95.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-56.6	178.9	-176.6	0	0	0	0	112.6	L30 G118 C119 F177 H184 R185 L186	L30-C182 WeakPolarHBondContact CD2-O 3.3Å; G118-C182 VanDerWaalsContact C-SG 3.5Å; C119-C182 HydrophobicContact CB-CB 3.92Å; C119-C182 WeakPolarHBondContact CB-SG 3.34Å; C119-C182 PolarHBondContact N-SG 2.9Å; C119-C182 WeakPolarHBondContact SG-CB 3.39Å; C119-C182 PolarHBondContact SG-O 3.39Å; C119-C182 CovalentContact SG-SG 2.05Å; C119-C182 PolarHBondContact SG-SG 2.84Å; F177-C182 WeakPolarHBondContact O-CB 3.31Å; F177-C182 PolarHBondContact O-N 3.44Å; C182-H184 PolarHBondContact O-N 3.1Å; C182-R185 PolarHBondContact O-N 2.99Å; C182-L186 WeakPolarHBondContact O-CB 3.49Å; C182-L186 PolarHBondContact O-N 2.95Å
183	P	95.2	Very high	95.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-21.8	-178.4	27.2	-36.1	0	0	0	112.9	L121 S127 L178 L179 F180 R187	L121-P183 HydrophobicContact CD2-CB 4.43Å; S127-P183 WeakPolarHBondContact OG-CB 3.37Å; L178-P183 WeakPolarHBondContact O-CD 3.49Å; L179-P183 VanDerWaalsContact O-CG 3.23Å; L179-P183 WeakPolarHBondContact O-CG 3.34Å; F180-P183 WeakPolarHBondContact O-CD 3.43Å; P183-R187 VanDerWaalsContact O-CG 3.29Å; P183-R187 WeakPolarHBondContact O-CG 3.48Å; P183-R187 PolarHBondContact O-N 2.92Å; P183-R187 PolarHBondContact O-NH1 3.31Å
184	H	95.1	Very high	95.1	Very high	97 Å²	97	48.8 Å²	48.8	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-68.3	-50.1	170.3	-177.5	55.5	0	0	0	111.4	F180 S181 C182 L186 R187 E188	F180-H184 WeakPolarHBondContact O-CB 3.42Å; F180-H184 PolarHBondContact O-N 2.93Å; S181-H184 PolarHBondContact O-N 3.41Å; C182-H184 PolarHBondContact O-N 3.1Å; H184-L186 VanDerWaalsContact C-N 3.35Å; H184-L186 PolarHBondContact O-N 3.36Å; H184-R187 PolarHBondContact O-N 2.8Å; H184-R187 VanDerWaalsContact O-N 3.16Å; H184-E188 IonicContact CE1-OE1 3.79Å; H184-E188 IonicContact NE2-OE1 2.83Å; H184-E188 PolarHBondContact NE2-OE1 2.85Å; H184-E188 PolarHBondContact O-N 2.92Å
185	R	96.4	Very high	94.8	Very high	12 Å²	12	51.1 Å²	51.1	5%	0.045	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-43.1	177.3	-69.3	160.3	-178.7	-173.3	7.7	112.5	L30 Y32 Y83 E87 D90 S181 C182 R187 E188 H189	L30-R185 HydrophobicContact CD2-CB 3.75Å; Y32-R185 PolarHBondContact OH-NH1 2.96Å; Y83-R185 HydrophobicContact CE2-CB 4.3Å; Y83-R185 HydrophobicContact CE2-CG 3.88Å; E87-R185 VanDerWaalsContact CD-CZ 3.48Å; E87-R185 WeakPolarHBondContact OE1-CD 3.17Å; E87-R185 IonicContact OE1-CZ 3.29Å; E87-R185 IonicContact OE1-NE 2.73Å; E87-R185 PolarHBondContact OE1-NE 3.27Å; E87-R185 VanDerWaalsContact OE1-NE 3.09Å; E87-R185 IonicContact OE1-NH1 2.78Å; E87-R185 PolarHBondContact OE1-NH1 2.97Å; E87-R185 IonicContact OE1-NH2 3.36Å; E87-R185 IonicContact OE2-CZ 2.72Å; E87-R185 IonicContact OE2-NH1 2.65Å; E87-R185 PolarHBondContact OE2-NH1 2.98Å; D90-R185 IonicContact OD2-CZ 2.71Å; D90-R185 IonicContact OD2-NH1 2.89Å; D90-R185 IonicContact OD2-NH2 3Å; D90-R185 PolarHBondContact OD2-NH2 2.92Å; S181-R185 WeakPolarHBondContact O-CD 3.3Å; S181-R185 WeakPolarHBondContact O-CG 3.41Å; S181-R185 PolarHBondContact O-N 3.43Å; C182-R185 PolarHBondContact O-N 2.99Å; R185-R187 VanDerWaalsContact C-N 3.3Å; R185-R187 PolarHBondContact O-N 3.17Å; R185-E188 PolarHBondContact O-N 3.3Å; R185-H189 PolarHBondContact O-CD2 3.02Å; R185-H189 VanDerWaalsContact O-CD2 3.22Å; R185-H189 PolarHBondContact O-N 3.45Å
186	L	95.1	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-41	176.7	178.5	53.3	0	0	0	111.5	L28 L30 L53 L121 C182 H184 L190	L28-L186 HydrophobicContact CB-CD1 4.39Å; L28-L186 HydrophobicContact CD2-CD1 3.73Å; L28-L186 HydrophobicContact CG-CD1 3.98Å; L28-L186 WeakPolarHBondContact O-CD2 3.5Å; L30-L186 HydrophobicContact CB-CB 4.02Å; L30-L186 HydrophobicContact CB-CD1 4.12Å; L30-L186 HydrophobicContact CB-CD2 4.19Å; L30-L186 HydrophobicContact CB-CG 4.34Å; L30-L186 HydrophobicContact CD2-CB 4.2Å; L53-L186 HydrophobicContact CD2-CD1 3.72Å; L121-L186 HydrophobicContact CB-CD2 4.5Å; L121-L186 HydrophobicContact CD1-CD2 4.03Å; L121-L186 HydrophobicContact CD1-CG 3.94Å; L121-L186 HydrophobicContact CG-CD2 3.67Å; L121-L186 HydrophobicContact CG-CG 4.14Å; C182-L186 WeakPolarHBondContact O-CB 3.49Å; C182-L186 PolarHBondContact O-N 2.95Å; H184-L186 VanDerWaalsContact C-N 3.35Å; H184-L186 PolarHBondContact O-N 3.36Å; L186-L190 HydrophobicContact CD1-CD1 4.3Å; L186-L190 HydrophobicContact CD1-CG 4.48Å; L186-L190 HydrophobicContact CG-CD1 4.29Å; L186-L190 WeakPolarHBondContact O-CB 3.29Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.35Å; L186-L190 PolarHBondContact O-N 2.76Å
187	R	93.2	Very high	94.4	Very high	72 Å²	72	49.6 Å²	49.6	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-66.7	-42.9	173.8	-71.9	-178.6	-167.6	97.6	-6	112.4	L121 N125 P183 H184 R185 H189 L190 E191	L121-R187 HydrophobicContact CD1-CG 4.05Å; N125-R187 PolarHBondContact O-NH2 3.07Å; N125-R187 PolarHBondContact OD1-NE 3.38Å; N125-R187 PolarHBondContact OD1-NH2 3.14Å; P183-R187 VanDerWaalsContact O-CG 3.29Å; P183-R187 WeakPolarHBondContact O-CG 3.48Å; P183-R187 PolarHBondContact O-N 2.92Å; P183-R187 PolarHBondContact O-NH1 3.31Å; H184-R187 PolarHBondContact O-N 2.8Å; H184-R187 VanDerWaalsContact O-N 3.16Å; R185-R187 VanDerWaalsContact C-N 3.3Å; R185-R187 PolarHBondContact O-N 3.17Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 2.81Å; R187-L190 PolarHBondContact O-N 3.14Å; R187-E191 WeakPolarHBondContact O-CG 3.46Å; R187-E191 PolarHBondContact O-N 2.76Å
188	E	94	Very high	94.2	Very high	23 Å²	23	55.2 Å²	55.2	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-43	176.5	-71.5	-175.1	139.7	0	0	111.7	H184 R185 E191 R192	H184-E188 IonicContact CE1-OE1 3.79Å; H184-E188 IonicContact NE2-OE1 2.83Å; H184-E188 PolarHBondContact NE2-OE1 2.85Å; H184-E188 PolarHBondContact O-N 2.92Å; R185-E188 PolarHBondContact O-N 3.3Å; E188-E191 PolarHBondContact O-N 2.93Å; E188-R192 WeakPolarHBondContact O-CB 3.37Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 2.88Å
189	H	95	Very high	94.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-35.7	175.6	-74.4	-55.9	0	0	0	113.5	L53 Y58 W74 E77 Y83 R185 R187 E191 G193	L53-H189 HydrophobicContact CD1-CB 3.73Å; L53-H189 HydrophobicContact CD2-CB 4.18Å; Y58-H189 AromaticContact CD2-CE1 3.75Å; Y58-H189 AromaticContact CD2-NE2 3.48Å; Y58-H189 WeakPolarHBondContact CD2-NE2 3.42Å; Y58-H189 AromaticContact CE2-CE1 3.96Å; Y58-H189 AromaticContact CE2-NE2 3.3Å; Y58-H189 VanDerWaalsContact CE2-NE2 3.3Å; Y58-H189 WeakPolarHBondContact CE2-NE2 3.42Å; W74-H189 AromaticContact CE3-ND1 3.83Å; W74-H189 HydrophobicContact CZ3-CB 4.19Å; W74-H189 AromaticContact CZ3-ND1 3.67Å; E77-H189 IonicContact OE1-CE1 3.31Å; E77-H189 IonicContact OE1-CG 3.56Å; E77-H189 IonicContact OE1-ND1 3.99Å; E77-H189 PolarHBondContact OE1-ND1 2.9Å; E77-H189 IonicContact OE2-CE1 2.89Å; E77-H189 PolarHBondContact OE2-CE1 3.15Å; E77-H189 IonicContact OE2-ND1 2.78Å; E77-H189 PolarHBondContact OE2-ND1 3.14Å; Y83-H189 AromaticContact CZ-CE1 3.91Å; Y83-H189 AromaticContact CZ-NE2 3.43Å; Y83-H189 PolarHBondContact OH-NE2 3.11Å; R185-H189 PolarHBondContact O-CD2 3.02Å; R185-H189 VanDerWaalsContact O-CD2 3.22Å; R185-H189 PolarHBondContact O-N 3.45Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 2.81Å; H189-E191 VanDerWaalsContact C-N 3.26Å; H189-E191 PolarHBondContact O-N 2.84Å; H189-G193 CarbonylContact O-C 3.57Å; H189-G193 WeakPolarHBondContact O-CA 3.37Å; H189-G193 PolarHBondContact O-N 2.86Å
190	L	92.6	Very high	94.1	Very high	53 Å²	53	62.1 Å²	62.1	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-28.9	173.9	-78.2	167	0	0	0	112.8	L28 L121 L186 R187 R194 L197	L28-L190 HydrophobicContact CD2-CD2 3.55Å; L28-L190 HydrophobicContact CD2-CG 3.98Å; L121-L190 HydrophobicContact CD1-CD1 3.53Å; L186-L190 HydrophobicContact CD1-CD1 4.3Å; L186-L190 HydrophobicContact CD1-CG 4.48Å; L186-L190 HydrophobicContact CG-CD1 4.29Å; L186-L190 WeakPolarHBondContact O-CB 3.29Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.35Å; L186-L190 PolarHBondContact O-N 2.76Å; R187-L190 PolarHBondContact O-N 3.14Å; L190-R194 WeakPolarHBondContact O-CB 3.29Å; L190-L197 HydrophobicContact CD2-CD1 3.85Å; L190-L197 HydrophobicContact CG-CD1 4.49Å
191	E	92.6	Very high	94.2	Very high	145 Å²	145	58.2 Å²	58.2	68%	0.678	28%	0.275	S	S	*	.	H	α-helix	trans	-82.2	-46.1	176.6	-72.1	176.1	-174.5	0	0	112.1	R187 E188 H189	R187-E191 WeakPolarHBondContact O-CG 3.46Å; R187-E191 PolarHBondContact O-N 2.76Å; E188-E191 PolarHBondContact O-N 2.93Å; H189-E191 VanDerWaalsContact C-N 3.26Å; H189-E191 PolarHBondContact O-N 2.84Å
192	R	94.3	Very high	94.3	Very high	106 Å²	106	59.9 Å²	59.9	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-93.8	-32.6	-171	-64.3	166.8	-179.3	-79	-5.4	113.5	E77 N78 E188	E77-R192 HydrophobicContact CG-CB 3.94Å; N78-R192 VanDerWaalsContact O-CD 3.28Å; N78-R192 WeakPolarHBondContact O-CD 3.46Å; N78-R192 PolarHBondContact O-NH1 3.1Å; E188-R192 WeakPolarHBondContact O-CB 3.37Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 2.88Å
193	G	92.5	Very high	94.3	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-108	13.8	-174.5	0	0	0	0	0	114.4	E77 H189 G195 N196 L197	E77-G193 WeakPolarHBondContact OE1-CA 3.23Å; E77-G193 PolarHBondContact OE1-N 3.37Å; H189-G193 CarbonylContact O-C 3.57Å; H189-G193 WeakPolarHBondContact O-CA 3.37Å; H189-G193 PolarHBondContact O-N 2.86Å; G193-G195 PolarHBondContact O-N 3.08Å; G193-G195 VanDerWaalsContact O-N 3.1Å; G193-N196 WeakPolarHBondContact O-CB 3.25Å; G193-N196 PolarHBondContact O-N 3.29Å; G193-L197 PolarHBondContact O-N 2.89Å
194	R	91.1	Very high	94.4	Very high	147 Å²	147	63.7 Å²	63.7	56%	0.555	31%	0.312	S	S	*	.	H	α-helix	trans	-48.3	-42.1	-178.7	-176	175.8	-74.9	-151	-1.3	113.4	L190 N196 L197 E198	L190-R194 WeakPolarHBondContact O-CB 3.29Å; R194-N196 VanDerWaalsContact C-N 3.27Å; R194-N196 PolarHBondContact O-N 3.35Å; R194-L197 PolarHBondContact O-N 2.9Å; R194-L197 VanDerWaalsContact O-N 3.14Å; R194-E198 VanDerWaalsContact CD-OE1 3.25Å; R194-E198 WeakPolarHBondContact CD-OE1 3.3Å; R194-E198 VanDerWaalsContact CG-CD 3.44Å; R194-E198 HydrophobicContact CG-CG 4Å; R194-E198 VanDerWaalsContact CG-OE1 3.26Å; R194-E198 WeakPolarHBondContact CG-OE1 3.35Å; R194-E198 WeakPolarHBondContact O-CB 3.45Å; R194-E198 PolarHBondContact O-N 3.14Å
195	G	92.3	Very high	94.6	Very high	58 Å²	58	60.3 Å²	60.3	60%	0.598	30%	0.297	S	S	*	.	H	α-helix	trans	-61	-32.6	179.5	0	0	0	0	0	114	G193 W199	G193-G195 PolarHBondContact O-N 3.08Å; G193-G195 VanDerWaalsContact O-N 3.1Å; G195-W199 PolarHBondContact O-N 3.3Å
196	N	93.8	Very high	94.6	Very high	44 Å²	44	65.9 Å²	65.9	24%	0.235	32%	0.318	C	S	.	.	H	α-helix	trans	-72.8	-36.9	176.4	-62.9	-17.3	0	0	0	111.3	Q56 W74 G193 R194 W199	Q56-N196 PolarHBondContact NE2-O 3.44Å; W74-N196 HydrophobicContact CH2-CB 4.14Å; W74-N196 HydrophobicContact CZ2-CB 4.06Å; G193-N196 WeakPolarHBondContact O-CB 3.25Å; G193-N196 PolarHBondContact O-N 3.29Å; R194-N196 VanDerWaalsContact C-N 3.27Å; R194-N196 PolarHBondContact O-N 3.35Å; N196-W199 VanDerWaalsContact O-CB 3.29Å; N196-W199 WeakPolarHBondContact O-CB 3.35Å
197	L	91.9	Very high	94.7	Very high	31 Å²	31	65.9 Å²	65.9	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-76.4	-35.7	-178.3	-63.3	168.7	0	0	0	112.5	L28 L53 W74 L190 G193 R194 W199	L28-L197 HydrophobicContact CD1-CD2 4.01Å; L28-L197 HydrophobicContact CD2-CD1 3.5Å; L28-L197 HydrophobicContact CD2-CD2 3.84Å; L28-L197 HydrophobicContact CD2-CG 4.27Å; L53-L197 HydrophobicContact CB-CD2 4.1Å; W74-L197 HydrophobicContact CH2-CD1 4.29Å; W74-L197 HydrophobicContact CH2-CD2 3.76Å; W74-L197 HydrophobicContact CH2-CG 3.82Å; W74-L197 HydrophobicContact CZ2-CD2 3.9Å; W74-L197 HydrophobicContact CZ2-CG 4.34Å; L190-L197 HydrophobicContact CD2-CD1 3.85Å; L190-L197 HydrophobicContact CG-CD1 4.49Å; G193-L197 PolarHBondContact O-N 2.89Å; R194-L197 PolarHBondContact O-N 2.9Å; R194-L197 VanDerWaalsContact O-N 3.14Å; L197-W199 PolarHBondContact O-N 2.81Å
198	E	93	Very high	94.8	Very high	122 Å²	122	67.9 Å²	67.9	57%	0.57	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	3.6	176.7	-68.4	179.7	177.6	0	0	113.2	R194 K200	R194-E198 VanDerWaalsContact CD-OE1 3.25Å; R194-E198 WeakPolarHBondContact CD-OE1 3.3Å; R194-E198 VanDerWaalsContact CG-CD 3.44Å; R194-E198 HydrophobicContact CG-CG 4Å; R194-E198 VanDerWaalsContact CG-OE1 3.26Å; R194-E198 WeakPolarHBondContact CG-OE1 3.35Å; R194-E198 WeakPolarHBondContact O-CB 3.45Å; R194-E198 PolarHBondContact O-N 3.14Å; E198-K200 PolarHBondContact O-N 2.81Å
199	W	94.7	Very high	94.9	Very high	84 Å²	84	68.7 Å²	68.7	32%	0.318	34%	0.339	S	S	.	.			trans	-53.3	133.3	175.5	177	39.7	0	0	0	110.3	G195 N196 L197 E201 Y227	G195-W199 PolarHBondContact O-N 3.3Å; N196-W199 VanDerWaalsContact O-CB 3.29Å; N196-W199 WeakPolarHBondContact O-CB 3.35Å; L197-W199 PolarHBondContact O-N 2.81Å; W199-E201 HydrophobicContact CZ2-CB 3.96Å; W199-E201 VanDerWaalsContact CZ2-OE2 3.25Å; W199-E201 WeakPolarHBondContact CZ2-OE2 3.48Å; W199-Y227 HydrophobicContact CB-CD1 4.06Å; W199-Y227 HydrophobicContact CB-CE1 4.24Å; W199-Y227 AromaticContact CD2-CD1 3.73Å; W199-Y227 HydrophobicContact CD2-CD1 3.73Å; W199-Y227 AromaticContact CD2-CG 3.88Å; W199-Y227 HydrophobicContact CD2-CG 3.88Å; W199-Y227 AromaticContact CE3-CD1 3.37Å; W199-Y227 HydrophobicContact CE3-CD1 3.37Å; W199-Y227 AromaticContact CE3-CD2 3.71Å; W199-Y227 HydrophobicContact CE3-CD2 3.71Å; W199-Y227 AromaticContact CE3-CE1 3.96Å; W199-Y227 HydrophobicContact CE3-CE1 3.96Å; W199-Y227 HydrophobicContact CE3-CE2 4.26Å; W199-Y227 AromaticContact CE3-CG 3.26Å; W199-Y227 HydrophobicContact CE3-CG 3.26Å; W199-Y227 HydrophobicContact CG-CD1 4.06Å; W199-Y227 HydrophobicContact CH2-CG 4.19Å; W199-Y227 HydrophobicContact CZ3-CD1 4.06Å; W199-Y227 AromaticContact CZ3-CD2 3.58Å; W199-Y227 HydrophobicContact CZ3-CD2 3.58Å; W199-Y227 HydrophobicContact CZ3-CE2 4.36Å; W199-Y227 AromaticContact CZ3-CG 3.44Å; W199-Y227 HydrophobicContact CZ3-CG 3.44Å; W199-Y227 VanDerWaalsContact CZ3-CG 3.44Å; W199-Y227 WeakPolarHBondContact O-CD1 3.34Å; W199-Y227 WeakPolarHBondContact O-CE1 3.4Å
200	K	95.9	Very high	94.8	Very high	133 Å²	133	76.6 Å²	76.6	58%	0.578	37%	0.369	S	S	*	.			trans	-136	117.4	174.5	-69	177.2	-174	178.7	0	108.5	E198 Y227	E198-K200 PolarHBondContact O-N 2.81Å; K200-Y227 CarbonylContact C-O 3.53Å; K200-Y227 WeakPolarHBondContact CA-O 3.48Å
201	E	97	Very high	94.9	Very high	61 Å²	61	79.7 Å²	79.7	29%	0.285	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-119.9	114.1	173.3	-173.8	177.5	-151.4	0	0	108.5	W199 S225 F226 Y227 H279	W199-E201 HydrophobicContact CZ2-CB 3.96Å; W199-E201 VanDerWaalsContact CZ2-OE2 3.25Å; W199-E201 WeakPolarHBondContact CZ2-OE2 3.48Å; E201-S225 VanDerWaalsContact CD-O 3.23Å; E201-S225 WeakPolarHBondContact CG-O 3.36Å; E201-F226 VanDerWaalsContact O-CA 3.27Å; E201-F226 WeakPolarHBondContact O-CA 3.25Å; E201-F226 WeakPolarHBondContact O-CB 3.26Å; E201-Y227 PolarHBondContact N-O 3.47Å; E201-Y227 PolarHBondContact O-N 3.47Å; E201-H279 PolarHBondContact O-CE1 2.82Å
202	P	97.6	Very high	94.9	Very high	62 Å²	62	76.4 Å²	76.4	40%	0.403	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-70.1	145.8	177.5	28.4	-33.1	0	0	0	111.1	L282	P202-L282 HydrophobicContact CB-CD2 3.67Å; P202-L282 HydrophobicContact CB-CG 4.15Å
203	P	97.8	Very high	94.7	Very high	9 Å²	9	74.2 Å²	74.2	6%	0.058	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-68.6	136.2	-178	27.8	-35.6	0	0	0	112.7	M205 A223 F226 L231 V277 H279 L282	P203-M205 HydrophobicContact CB-SD 3.73Å; P203-M205 HydrophobicContact CG-CG 4.43Å; P203-M205 HydrophobicContact CG-SD 3.83Å; P203-M205 PolarHBondContact O-N 3.25Å; P203-A223 HydrophobicContact CB-CB 3.82Å; P203-F226 HydrophobicContact CB-CB 3.74Å; P203-F226 HydrophobicContact CB-CD1 3.95Å; P203-F226 HydrophobicContact CB-CG 4.06Å; P203-F226 HydrophobicContact CG-CB 4.41Å; P203-L231 HydrophobicContact CB-CD1 4.03Å; P203-L231 HydrophobicContact CG-CD1 3.87Å; P203-V277 HydrophobicContact CG-CG2 4.05Å; P203-H279 HydrophobicContact CG-CB 4.3Å; P203-L282 HydrophobicContact CG-CD1 4.31Å
204	S	97.5	Very high	94.7	Very high	75 Å²	75	80.1 Å²	80.1	52%	0.524	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	116.5	161.6	-74.8	0	0	0	0	109.3	F224	S204-F224 PolarHBondContact N-O 2.96Å; S204-F224 WeakPolarHBondContact O-CD2 3.41Å; S204-F224 PolarHBondContact O-N 3.34Å
205	M	97.5	Very high	94.8	Very high	27 Å²	27	75.6 Å²	75.6	13%	0.133	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	143.3	-171.3	-63.9	-56.9	-60.4	0	0	113.5	P203 C221 S222 A223 L233 V277 L286 V288	P203-M205 HydrophobicContact CB-SD 3.73Å; P203-M205 HydrophobicContact CG-CG 4.43Å; P203-M205 HydrophobicContact CG-SD 3.83Å; P203-M205 PolarHBondContact O-N 3.25Å; M205-C221 VanDerWaalsContact CE-SG 3.56Å; M205-S222 WeakPolarHBondContact CA-O 3.14Å; M205-A223 HydrophobicContact CE-CB 4.21Å; M205-A223 HydrophobicContact SD-CB 3.62Å; M205-L233 HydrophobicContact CE-CD2 3.74Å; M205-V277 HydrophobicContact CE-CB 3.8Å; M205-V277 HydrophobicContact CE-CG1 4Å; M205-V277 HydrophobicContact CE-CG2 4.16Å; M205-V277 HydrophobicContact CG-CG1 3.84Å; M205-V277 HydrophobicContact SD-CB 4.03Å; M205-V277 HydrophobicContact SD-CG1 3.86Å; M205-V277 HydrophobicContact SD-CG2 3.94Å; M205-L286 HydrophobicContact CG-CD2 3.99Å; M205-V288 HydrophobicContact CB-CB 4.47Å; M205-V288 HydrophobicContact CB-CG1 4.04Å; M205-V288 HydrophobicContact CB-CG2 3.55Å; M205-V288 HydrophobicContact CE-CG2 4.08Å; M205-V288 HydrophobicContact CG-CG2 3.81Å
206	R	97.1	Very high	95	Very high	128 Å²	128	77.2 Å²	77.2	48%	0.483	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.3	173.6	-59	-71.8	170	-177	-2.2	109.9	C221 S222 F224 E291	R206-C221 CarbonylContact O-C 3.52Å; R206-C221 WeakPolarHBondContact O-CA 3.42Å; R206-S222 PolarHBondContact N-O 3.49Å; R206-S222 PolarHBondContact O-N 3Å; R206-F224 HydrophobicContact CB-CE2 4.13Å; R206-F224 HydrophobicContact CG-CD2 4.21Å; R206-F224 HydrophobicContact CG-CE2 3.82Å; R206-E291 WeakPolarHBondContact CD-OE1 3.34Å; R206-E291 IonicContact CZ-OE1 3.36Å; R206-E291 IonicContact NE-OE1 2.69Å; R206-E291 IonicContact NH1-OE1 3.13Å; R206-E291 PolarHBondContact NH1-OE1 2.8Å
207	L	97.1	Very high	95	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	170.9	175.9	59.6	0	0	0	108.6	L219 T220 C221 F235 C275 V288 L290 E291	L207-L219 HydrophobicContact CD1-CB 4.36Å; L207-T220 WeakPolarHBondContact CA-O 3.27Å; L207-C221 HydrophobicContact CD1-CB 4.1Å; L207-F235 HydrophobicContact CD1-CE1 3.95Å; L207-C275 HydrophobicContact CD1-CB 4.43Å; L207-C275 HydrophobicContact CD2-CB 4.15Å; L207-V288 HydrophobicContact CB-CG1 3.87Å; L207-V288 WeakPolarHBondContact CD2-O 3.43Å; L207-L290 HydrophobicContact CD2-CB 4.36Å; L207-L290 HydrophobicContact CG-CD1 4.04Å; L207-E291 WeakPolarHBondContact O-CB 3.22Å; L207-E291 WeakPolarHBondContact O-CG 3.48Å; L207-E291 PolarHBondContact O-N 2.91Å
208	K	96.2	Very high	95.2	Very high	114 Å²	114	75.1 Å²	75.1	50%	0.496	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.3	-177.4	-68.7	176.8	177.4	174.7	0	110.8	L219 T220 E291	K208-L219 CarbonylContact O-C 3.58Å; K208-L219 WeakPolarHBondContact O-CA 3.46Å; K208-T220 PolarHBondContact N-O 2.78Å; K208-T220 PolarHBondContact O-N 3.14Å; K208-E291 WeakPolarHBondContact CE-OE2 3.35Å; K208-E291 WeakPolarHBondContact CG-OE2 3.45Å; K208-E291 IonicContact NZ-OE2 3.23Å
209	A	94.9	Very high	95.4	Very high	41 Å²	41	69.3 Å²	69.3	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	170.8	0	0	0	0	0	109.6	L219 E270 L290	A209-L219 HydrophobicContact CB-CD2 3.61Å; A209-E270 HydrophobicContact CB-CB 4.29Å; A209-E270 HydrophobicContact CB-CG 4Å; A209-L290 HydrophobicContact CB-CD1 3.85Å; A209-L290 HydrophobicContact CB-CD2 4.3Å
210	R	94	Very high	95.5	Very high	165 Å²	165	66.1 Å²	66.1	62%	0.623	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.6	170.2	-70	-170.9	-71.2	171.2	-3	110.1	S217 V218	R210-S217 CarbonylContact O-C 3.58Å; R210-S217 WeakPolarHBondContact O-CA 3.24Å; R210-V218 PolarHBondContact N-O 2.83Å; R210-V218 PolarHBondContact O-N 3.39Å
211	P	93.5	Very high	95.6	Very high	119 Å²	119	59.8 Å²	59.8	77%	0.773	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	140	169.2	-22.5	33.6	0	0	0	110.7
212	S	92.1	Very high	95.6	Very high	75 Å²	75	57.8 Å²	57.8	52%	0.524	33%	0.332	S	S	.	.			trans	-121.4	-120.2	178.4	-177.8	0	0	0	0	109.5	F216	S212-F216 PolarHBondContact N-O 2.76Å
213	S	91.9	Very high	95.7	Very high	60 Å²	60	54.8 Å²	54.8	42%	0.42	31%	0.313	S	S	.	.	S	Bend	trans	-72	159.9	172	55.6	0	0	0	0	112	G215 F216	S213-G215 PolarHBondContact O-N 3.43Å; S213-F216 PolarHBondContact O-N 3.2Å; S213-F216 VanDerWaalsContact O-O 3.05Å; S213-F216 WeakPolarHBondContact OG-CD2 3.42Å
214	P	91.9	Very high	95.7	Very high	128 Å²	128	58.5 Å²	58.5	83%	0.831	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	123.9	179.3	-27.8	35.6	0	0	0	112.5	F216	P214-F216 VanDerWaalsContact C-N 3.34Å; P214-F216 WeakPolarHBondContact O-CD2 3.39Å
215	G	92.8	Very high	95.7	Very high	52 Å²	52	57 Å²	57	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-2	-177.3	0	0	0	0	0	115.3	S213 S267	S213-G215 PolarHBondContact O-N 3.43Å; G215-S267 PolarHBondContact O-N 3.33Å
216	F	95.7	Very high	95.7	Very high	91 Å²	91	55.8 Å²	55.8	40%	0.399	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.3	-179.1	-62.7	-83.8	0	0	0	112.8	S212 S213 P214 T264 V265	S212-F216 PolarHBondContact N-O 2.76Å; S213-F216 PolarHBondContact O-N 3.2Å; S213-F216 VanDerWaalsContact O-O 3.05Å; S213-F216 WeakPolarHBondContact OG-CD2 3.42Å; P214-F216 VanDerWaalsContact C-N 3.34Å; P214-F216 WeakPolarHBondContact O-CD2 3.39Å; F216-T264 HydrophobicContact CB-CG2 4.06Å; F216-T264 HydrophobicContact CD1-CG2 3.9Å; F216-T264 HydrophobicContact CG-CG2 4.24Å; F216-V265 CarbonylContact C-O 3.56Å; F216-V265 VanDerWaalsContact CA-O 3.31Å; F216-V265 WeakPolarHBondContact CA-O 3.25Å
217	S	94.7	Very high	95.7	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.3	171.8	-64.5	0	0	0	0	108.9	R210 V265 E270	R210-S217 CarbonylContact O-C 3.58Å; R210-S217 WeakPolarHBondContact O-CA 3.24Å; S217-V265 PolarHBondContact N-O 2.75Å; S217-V265 PolarHBondContact O-N 2.93Å; S217-E270 WeakPolarHBondContact CB-OE1 3.44Å; S217-E270 PolarHBondContact OG-OE1 3.01Å
218	V	96.3	Very high	95.7	Very high	29 Å²	29	51.2 Å²	51.2	18%	0.176	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.8	172.8	173.9	0	0	0	0	108.1	R210	R210-V218 PolarHBondContact N-O 2.83Å; R210-V218 PolarHBondContact O-N 3.39Å
219	L	96.7	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.2	167.7	-63	-179.4	0	0	0	108.5	L207 K208 A209 F235 S262 L263 V265 E270 Y273 L290	L207-L219 HydrophobicContact CD1-CB 4.36Å; K208-L219 CarbonylContact O-C 3.58Å; K208-L219 WeakPolarHBondContact O-CA 3.46Å; A209-L219 HydrophobicContact CB-CD2 3.61Å; L219-F235 HydrophobicContact CB-CE1 4.08Å; L219-S262 CarbonylContact O-C 3.52Å; L219-S262 WeakPolarHBondContact O-CA 3.21Å; L219-L263 PolarHBondContact N-O 3.17Å; L219-L263 PolarHBondContact O-N 3.02Å; L219-V265 HydrophobicContact CD1-CG1 3.75Å; L219-V265 HydrophobicContact CD1-CG2 4.02Å; L219-V265 HydrophobicContact CD2-CG2 4.44Å; L219-V265 HydrophobicContact CG-CG1 4.13Å; L219-V265 HydrophobicContact CG-CG2 3.8Å; L219-E270 HydrophobicContact CD2-CB 4.01Å; L219-E270 HydrophobicContact CD2-CG 4.13Å; L219-Y273 HydrophobicContact CD1-CD1 3.97Å; L219-Y273 HydrophobicContact CD1-CD2 4.03Å; L219-Y273 HydrophobicContact CD1-CG 3.53Å; L219-L290 HydrophobicContact CD2-CD1 4.09Å
220	T	97.3	Very high	95.7	Very high	17 Å²	17	50.9 Å²	50.9	10%	0.104	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	174.3	-57.3	0	0	0	0	108.9	L207 K208 S261 S262	L207-T220 WeakPolarHBondContact CA-O 3.27Å; K208-T220 PolarHBondContact N-O 2.78Å; K208-T220 PolarHBondContact O-N 3.14Å; T220-S261 WeakPolarHBondContact CA-O 3.31Å; T220-S262 PolarHBondContact OG1-OG 2.83Å
221	C	97.7	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.7	170.3	-172.1	0	0	0	0	108.5	M205 R206 L207 F235 S260 S261 C275	M205-C221 VanDerWaalsContact CE-SG 3.56Å; R206-C221 CarbonylContact O-C 3.52Å; R206-C221 WeakPolarHBondContact O-CA 3.42Å; L207-C221 HydrophobicContact CD1-CB 4.1Å; C221-F235 HydrophobicContact CB-CE1 4.06Å; C221-F235 HydrophobicContact CB-CZ 3.81Å; C221-S260 CarbonylContact O-C 3.53Å; C221-S260 VanDerWaalsContact O-CA 3.25Å; C221-S260 WeakPolarHBondContact O-CA 3.17Å; C221-S261 PolarHBondContact N-O 2.8Å; C221-S261 PolarHBondContact O-N 2.94Å; C221-C275 HydrophobicContact CB-CB 3.69Å; C221-C275 WeakPolarHBondContact CB-SG 3.36Å; C221-C275 WeakPolarHBondContact SG-CB 3.37Å; C221-C275 CovalentContact SG-SG 2.04Å; C221-C275 PolarHBondContact SG-SG 3.41Å
222	S	97.8	Very high	95.9	Very high	18 Å²	18	43.6 Å²	43.6	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.2	-176.4	-60.9	0	0	0	0	110.6	M205 R206	M205-S222 WeakPolarHBondContact CA-O 3.14Å; R206-S222 PolarHBondContact N-O 3.49Å; R206-S222 PolarHBondContact O-N 3Å
223	A	98.2	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.3	173.4	0	0	0	0	0	108.9	P203 M205 F226 L231 H258 A259	P203-A223 HydrophobicContact CB-CB 3.82Å; M205-A223 HydrophobicContact CE-CB 4.21Å; M205-A223 HydrophobicContact SD-CB 3.62Å; A223-F226 HydrophobicContact CB-CD1 3.96Å; A223-F226 HydrophobicContact CB-CE1 3.78Å; A223-L231 HydrophobicContact CB-CD1 3.83Å; A223-L231 HydrophobicContact CB-CD2 4.42Å; A223-H258 WeakPolarHBondContact O-CA 3.04Å; A223-H258 PolarHBondContact O-ND1 3.44Å; A223-A259 HydrophobicContact CB-CB 4.42Å; A223-A259 PolarHBondContact N-O 2.82Å; A223-A259 PolarHBondContact O-N 3.34Å; A223-A259 VanDerWaalsContact O-N 3.09Å
224	F	98.2	Very high	96.4	Very high	86 Å²	86	43.3 Å²	43.3	38%	0.377	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.2	-178.5	-61.6	-91.7	0	0	0	110.7	S204 R206 H258	S204-F224 PolarHBondContact N-O 2.96Å; S204-F224 WeakPolarHBondContact O-CD2 3.41Å; S204-F224 PolarHBondContact O-N 3.34Å; R206-F224 HydrophobicContact CB-CE2 4.13Å; R206-F224 HydrophobicContact CG-CD2 4.21Å; R206-F224 HydrophobicContact CG-CE2 3.82Å; F224-H258 AromaticContact CD1-CE1 3.7Å; F224-H258 AromaticContact CD1-ND1 3.54Å; F224-H258 AromaticContact CE1-CE1 3.47Å; F224-H258 VanDerWaalsContact CE1-CE1 3.47Å; F224-H258 WeakPolarHBondContact CE1-CE1 3.38Å; F224-H258 AromaticContact CE1-ND1 3.81Å; F224-H258 AromaticContact CZ-CE1 3.89Å
225	S	97.6	Very high	96.7	Very high	45 Å²	45	37.3 Å²	37.3	32%	0.315	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	42.6	75.5	173.2	-60.7	0	0	0	0	113	E201 F257	E201-S225 VanDerWaalsContact CD-O 3.23Å; E201-S225 WeakPolarHBondContact CG-O 3.36Å; S225-F257 PolarHBondContact N-O 3.41Å
226	F	98	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.6	175.5	63.9	-88.6	0	0	0	112.4	E201 P203 A223 P228 L231 F249 F257 A259 H279	E201-F226 VanDerWaalsContact O-CA 3.27Å; E201-F226 WeakPolarHBondContact O-CA 3.25Å; E201-F226 WeakPolarHBondContact O-CB 3.26Å; P203-F226 HydrophobicContact CB-CB 3.74Å; P203-F226 HydrophobicContact CB-CD1 3.95Å; P203-F226 HydrophobicContact CB-CG 4.06Å; P203-F226 HydrophobicContact CG-CB 4.41Å; A223-F226 HydrophobicContact CB-CD1 3.96Å; A223-F226 HydrophobicContact CB-CE1 3.78Å; F226-P228 WeakPolarHBondContact CD2-O 3.32Å; F226-L231 HydrophobicContact CD1-CD1 3.9Å; F226-L231 HydrophobicContact CD2-CB 4.3Å; F226-L231 HydrophobicContact CD2-CD1 3.75Å; F226-L231 HydrophobicContact CE1-CD1 3.82Å; F226-L231 HydrophobicContact CE2-CB 3.67Å; F226-L231 HydrophobicContact CE2-CD1 3.67Å; F226-L231 HydrophobicContact CE2-CG 4.28Å; F226-L231 HydrophobicContact CG-CD1 3.87Å; F226-L231 HydrophobicContact CZ-CB 4.06Å; F226-L231 HydrophobicContact CZ-CD1 3.72Å; F226-L231 HydrophobicContact CZ-CG 4.38Å; F226-F249 HydrophobicContact CE2-CE2 4.11Å; F226-F249 HydrophobicContact CZ-CD2 4.47Å; F226-F249 AromaticContact CZ-CE2 3.83Å; F226-F249 HydrophobicContact CZ-CE2 3.83Å; F226-F257 WeakPolarHBondContact CD1-O 3.27Å; F226-F257 HydrophobicContact CD2-CB 4.17Å; F226-F257 HydrophobicContact CE1-CB 4.14Å; F226-F257 WeakPolarHBondContact CE1-O 3.48Å; F226-F257 HydrophobicContact CE2-CB 3.69Å; F226-F257 HydrophobicContact CZ-CB 3.67Å; F226-F257 PolarHBondContact N-O 2.9Å; F226-F257 PolarHBondContact O-N 3.49Å; F226-A259 HydrophobicContact CE1-CB 3.95Å; F226-A259 HydrophobicContact CZ-CB 3.8Å; F226-H279 AromaticContact CD2-CD2 3.85Å; F226-H279 AromaticContact CD2-NE2 3.67Å
227	Y	97.6	Very high	96.9	Very high	9 Å²	9	37 Å²	37	4%	0.035	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-153.8	138.5	174.7	-175	-84.3	0	0	0	109.3	P55 Q56 W199 K200 E201 F257 H279	P55-Y227 HydrophobicContact CG-CE2 3.95Å; P55-Y227 WeakPolarHBondContact CG-OH 3.45Å; Q56-Y227 HydrophobicContact CG-CE2 3.69Å; Q56-Y227 WeakPolarHBondContact CG-OH 3.3Å; Q56-Y227 PolarHBondContact NE2-OH 2.82Å; Q56-Y227 VanDerWaalsContact NE2-OH 3.07Å; W199-Y227 HydrophobicContact CB-CD1 4.06Å; W199-Y227 HydrophobicContact CB-CE1 4.24Å; W199-Y227 AromaticContact CD2-CD1 3.73Å; W199-Y227 HydrophobicContact CD2-CD1 3.73Å; W199-Y227 AromaticContact CD2-CG 3.88Å; W199-Y227 HydrophobicContact CD2-CG 3.88Å; W199-Y227 AromaticContact CE3-CD1 3.37Å; W199-Y227 HydrophobicContact CE3-CD1 3.37Å; W199-Y227 AromaticContact CE3-CD2 3.71Å; W199-Y227 HydrophobicContact CE3-CD2 3.71Å; W199-Y227 AromaticContact CE3-CE1 3.96Å; W199-Y227 HydrophobicContact CE3-CE1 3.96Å; W199-Y227 HydrophobicContact CE3-CE2 4.26Å; W199-Y227 AromaticContact CE3-CG 3.26Å; W199-Y227 HydrophobicContact CE3-CG 3.26Å; W199-Y227 HydrophobicContact CG-CD1 4.06Å; W199-Y227 HydrophobicContact CH2-CG 4.19Å; W199-Y227 HydrophobicContact CZ3-CD1 4.06Å; W199-Y227 AromaticContact CZ3-CD2 3.58Å; W199-Y227 HydrophobicContact CZ3-CD2 3.58Å; W199-Y227 HydrophobicContact CZ3-CE2 4.36Å; W199-Y227 AromaticContact CZ3-CG 3.44Å; W199-Y227 HydrophobicContact CZ3-CG 3.44Å; W199-Y227 VanDerWaalsContact CZ3-CG 3.44Å; W199-Y227 WeakPolarHBondContact O-CD1 3.34Å; W199-Y227 WeakPolarHBondContact O-CE1 3.4Å; K200-Y227 CarbonylContact C-O 3.53Å; K200-Y227 WeakPolarHBondContact CA-O 3.48Å; E201-Y227 PolarHBondContact N-O 3.47Å; E201-Y227 PolarHBondContact O-N 3.47Å; Y227-F257 HydrophobicContact CD2-CD2 4.09Å; Y227-F257 AromaticContact CD2-CE2 3.75Å; Y227-F257 HydrophobicContact CD2-CE2 3.75Å; Y227-F257 HydrophobicContact CE2-CE2 4.01Å; Y227-H279 PolarHBondContact O-CE1 3.45Å
228	P	96.3	Very high	96.9	Very high	23 Å²	23	41.5 Å²	41.5	15%	0.149	20%	0.202	C	C	.	.	S	Bend	cis	-73.7	171.2	5	34.5	-40.3	0	0	0	113.4	F226 E230 H279 A280	F226-P228 WeakPolarHBondContact CD2-O 3.32Å; P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 WeakPolarHBondContact CB-OE2 3.46Å; P228-E230 PolarHBondContact O-N 2.86Å; P228-H279 PolarHBondContact O-NE2 2.88Å; P228-A280 HydrophobicContact CG-CB 4.05Å
229	P	96.1	Very high	96.6	Very high	18 Å²	18	42.1 Å²	42.1	12%	0.117	22%	0.215	C	C	.	.	S	Bend	trans	-66.5	-21	-174	24.2	-34.3	0	0	0	114.9	P55 L231 F249 F257	P55-P229 HydrophobicContact CB-CG 3.75Å; P55-P229 HydrophobicContact CG-CG 3.91Å; P229-L231 PolarHBondContact O-N 3.35Å; P229-F249 HydrophobicContact CB-CE1 4.41Å; P229-F249 HydrophobicContact CB-CE2 4.33Å; P229-F249 HydrophobicContact CB-CZ 3.56Å; P229-F249 WeakPolarHBondContact O-CE2 3.41Å; P229-F257 HydrophobicContact CB-CD1 4.1Å; P229-F257 HydrophobicContact CB-CD2 3.71Å; P229-F257 HydrophobicContact CB-CE1 4.02Å; P229-F257 HydrophobicContact CB-CE2 3.64Å; P229-F257 HydrophobicContact CB-CG 3.94Å; P229-F257 HydrophobicContact CB-CZ 3.8Å; P229-F257 HydrophobicContact CG-CD2 4.41Å; P229-F257 HydrophobicContact CG-CE2 3.92Å; P229-F257 HydrophobicContact CG-CZ 4.09Å
230	E	95.3	Very high	96.6	Very high	131 Å²	131	48.3 Å²	48.3	61%	0.612	25%	0.248	S	C	*	.			trans	-68	105.8	-177.6	-63.1	72.5	-154.4	0	0	111.2	P228 H279	P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 WeakPolarHBondContact CB-OE2 3.46Å; P228-E230 PolarHBondContact O-N 2.86Å; E230-H279 PolarHBondContact O-CD2 2.96Å
231	L	95.9	Very high	96.5	Very high	32 Å²	32	52 Å²	52	17%	0.168	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.3	-178.7	-175.4	148.7	0	0	0	110.7	P203 A223 F226 P229 L233 A259 V277 H279	P203-L231 HydrophobicContact CB-CD1 4.03Å; P203-L231 HydrophobicContact CG-CD1 3.87Å; A223-L231 HydrophobicContact CB-CD1 3.83Å; A223-L231 HydrophobicContact CB-CD2 4.42Å; F226-L231 HydrophobicContact CD1-CD1 3.9Å; F226-L231 HydrophobicContact CD2-CB 4.3Å; F226-L231 HydrophobicContact CD2-CD1 3.75Å; F226-L231 HydrophobicContact CE1-CD1 3.82Å; F226-L231 HydrophobicContact CE2-CB 3.67Å; F226-L231 HydrophobicContact CE2-CD1 3.67Å; F226-L231 HydrophobicContact CE2-CG 4.28Å; F226-L231 HydrophobicContact CG-CD1 3.87Å; F226-L231 HydrophobicContact CZ-CB 4.06Å; F226-L231 HydrophobicContact CZ-CD1 3.72Å; F226-L231 HydrophobicContact CZ-CG 4.38Å; P229-L231 PolarHBondContact O-N 3.35Å; L231-L233 HydrophobicContact CD2-CD1 4.25Å; L231-L233 HydrophobicContact CD2-CD2 3.61Å; L231-L233 HydrophobicContact CD2-CG 3.53Å; L231-A259 HydrophobicContact CD2-CB 4.29Å; L231-V277 HydrophobicContact CD1-CG2 3.91Å; L231-V277 HydrophobicContact CD2-CG2 4.09Å; L231-V277 HydrophobicContact CG-CG2 3.93Å; L231-H279 HydrophobicContact CD1-CB 4.34Å
232	Q	96.1	Very high	96.4	Very high	98 Å²	98	53.6 Å²	53.6	46%	0.458	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.7	175.5	-57.9	-178.8	23.7	0	0	111.1	V277 Q278	Q232-V277 WeakPolarHBondContact O-CA 3.48Å; Q232-Q278 HydrophobicContact CB-CB 4.36Å; Q232-Q278 PolarHBondContact N-O 3.36Å; Q232-Q278 PolarHBondContact O-N 2.87Å
233	L	97.4	Very high	96.2	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.4	174	-61.8	178.7	0	0	0	110.4	M205 L231 V277	M205-L233 HydrophobicContact CE-CD2 3.74Å; L231-L233 HydrophobicContact CD2-CD1 4.25Å; L231-L233 HydrophobicContact CD2-CD2 3.61Å; L231-L233 HydrophobicContact CD2-CG 3.53Å; L233-V277 HydrophobicContact CD2-CB 3.86Å; L233-V277 HydrophobicContact CD2-CG2 3.81Å
234	R	97.2	Very high	96	Very high	111 Å²	111	58.6 Å²	58.6	42%	0.419	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.4	176.9	-59.9	-177.8	-172.2	157.3	4.6	110.9	T244 C275 I276	R234-T244 HydrophobicContact CG-CG2 4.43Å; R234-C275 CarbonylContact O-C 3.47Å; R234-C275 WeakPolarHBondContact O-CA 3.44Å; R234-I276 PolarHBondContact N-O 3.35Å; R234-I276 PolarHBondContact O-N 2.9Å
235	F	97.8	Very high	95.7	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.8	172.6	-69.3	-84.8	0	0	0	110.9	L207 L219 C221 A242 G243 S261 L263 C274 C275	L207-F235 HydrophobicContact CD1-CE1 3.95Å; L219-F235 HydrophobicContact CB-CE1 4.08Å; C221-F235 HydrophobicContact CB-CE1 4.06Å; C221-F235 HydrophobicContact CB-CZ 3.81Å; F235-A242 HydrophobicContact CB-CB 4.19Å; F235-A242 PolarHBondContact O-N 3.47Å; F235-G243 PolarHBondContact N-O 3.31Å; F235-S261 WeakPolarHBondContact CZ-O 3.47Å; F235-L263 HydrophobicContact CB-CD2 3.75Å; F235-L263 HydrophobicContact CD1-CD2 4.31Å; F235-L263 HydrophobicContact CD2-CB 3.89Å; F235-L263 HydrophobicContact CD2-CD2 4Å; F235-L263 HydrophobicContact CD2-CG 4.5Å; F235-L263 HydrophobicContact CE1-CB 4.41Å; F235-L263 HydrophobicContact CE2-CB 3.78Å; F235-L263 HydrophobicContact CG-CB 4.25Å; F235-L263 HydrophobicContact CG-CD2 3.76Å; F235-L263 HydrophobicContact CZ-CB 4.05Å; F235-C274 WeakPolarHBondContact CA-O 3.29Å; F235-C275 HydrophobicContact CE1-CB 4.47Å
236	L	97.2	Very high	95.6	Very high	38 Å²	38	61.3 Å²	61.3	20%	0.199	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.8	168	-57.6	-179.2	0	0	0	109.3	L240 Y273 C274 I276	L236-L240 CarbonylContact C-O 3.51Å; L236-L240 WeakPolarHBondContact CA-O 3.21Å; L236-Y273 CarbonylContact O-C 3.54Å; L236-Y273 WeakPolarHBondContact O-CA 3.29Å; L236-C274 PolarHBondContact N-O 2.86Å; L236-C274 PolarHBondContact O-N 3.48Å; L236-I276 HydrophobicContact CD1-CD1 3.98Å; L236-I276 HydrophobicContact CD1-CG1 3.61Å; L236-I276 HydrophobicContact CG-CG1 3.91Å
237	R	96.3	Very high	95.5	Very high	99 Å²	99	64 Å²	64	37%	0.374	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.8	169.1	-175.7	-173.1	-176.9	-87	-9.2	108.6	G239 L240 A242 D269 H272 Y273	R237-G239 PolarHBondContact O-N 2.96Å; R237-G239 VanDerWaalsContact O-N 3.15Å; R237-L240 PolarHBondContact N-O 3.23Å; R237-L240 WeakPolarHBondContact O-CB 3.39Å; R237-L240 PolarHBondContact O-N 3.23Å; R237-A242 HydrophobicContact CB-CB 4.08Å; R237-D269 IonicContact CZ-OD1 3.91Å; R237-D269 IonicContact CZ-OD2 3.3Å; R237-D269 VanDerWaalsContact CZ-OD2 3.3Å; R237-D269 IonicContact NE-OD1 3.93Å; R237-D269 IonicContact NE-OD2 2.8Å; R237-D269 PolarHBondContact NE-OD2 3.23Å; R237-D269 IonicContact NH2-OD1 3.06Å; R237-D269 PolarHBondContact NH2-OD1 2.95Å; R237-D269 IonicContact NH2-OD2 2.93Å; R237-D269 PolarHBondContact NH2-OD2 2.93Å; R237-H272 CarbonylContact C-O 3.57Å; R237-H272 WeakPolarHBondContact CA-O 3.31Å; R237-H272 HydrophobicContact CG-CB 4.27Å; R237-Y273 HydrophobicContact CB-CD1 4.06Å; R237-Y273 HydrophobicContact CB-CE1 3.82Å; R237-Y273 HydrophobicContact CB-CE2 4.34Å; R237-Y273 HydrophobicContact CB-CG 4.45Å; R237-Y273 WeakPolarHBondContact CD-OH 3.33Å; R237-Y273 HydrophobicContact CG-CD2 4.23Å; R237-Y273 HydrophobicContact CG-CE1 4.2Å; R237-Y273 HydrophobicContact CG-CE2 3.83Å
238	N	93.3	Very high	95.5	Very high	97 Å²	97	69 Å²	69	52%	0.519	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.8	-175.3	-64.5	-29.3	0	0	0	113.5	L240 H272	N238-L240 VanDerWaalsContact C-N 3.29Å; N238-L240 PolarHBondContact O-N 2.91Å; N238-H272 PolarHBondContact N-O 2.96Å; N238-H272 WeakPolarHBondContact OD1-CB 3.4Å; N238-H272 PolarHBondContact OD1-CD2 2.84Å
239	G	91.6	Very high	95.5	Very high	43 Å²	43	73.3 Å²	73.3	44%	0.443	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-6.5	-178	0	0	0	0	0	115.5	R237	R237-G239 PolarHBondContact O-N 2.96Å; R237-G239 VanDerWaalsContact O-N 3.15Å
240	L	95.5	Very high	95.5	Very high	130 Å²	130	73.4 Å²	73.4	68%	0.681	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.3	175.5	-60	174.7	0	0	0	110.7	L236 R237 N238 A242	L236-L240 CarbonylContact C-O 3.51Å; L236-L240 WeakPolarHBondContact CA-O 3.21Å; R237-L240 PolarHBondContact N-O 3.23Å; R237-L240 WeakPolarHBondContact O-CB 3.39Å; R237-L240 PolarHBondContact O-N 3.23Å; N238-L240 VanDerWaalsContact C-N 3.29Å; N238-L240 PolarHBondContact O-N 2.91Å; L240-A242 PolarHBondContact O-N 3.04Å
241	A	96	Very high	95.6	Very high	95 Å²	95	72 Å²	72	79%	0.785	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	124.9	179.7	0	0	0	0	0	111.7
242	A	94.9	Very high	95.6	Very high	32 Å²	32	73 Å²	73	26%	0.264	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	9.2	178.5	0	0	0	0	0	113.1	F235 R237 L240 L263 Y273	F235-A242 HydrophobicContact CB-CB 4.19Å; F235-A242 PolarHBondContact O-N 3.47Å; R237-A242 HydrophobicContact CB-CB 4.08Å; L240-A242 PolarHBondContact O-N 3.04Å; A242-L263 HydrophobicContact CB-CD2 4.31Å; A242-Y273 HydrophobicContact CB-CD1 4.21Å; A242-Y273 HydrophobicContact CB-CE1 3.75Å
243	G	92.8	Very high	95.6	Very high	40 Å²	40	75 Å²	75	41%	0.412	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-178.3	-178.3	0	0	0	0	0	113.6	F235	F235-G243 PolarHBondContact N-O 3.31Å
244	T	94.1	Very high	95.5	Very high	84 Å²	84	78.9 Å²	78.9	52%	0.515	48%	0.476	S	S	.	.			trans	-93	-24.7	-179	50.6	0	0	0	0	113	R234 S261	R234-T244 HydrophobicContact CG-CG2 4.43Å; T244-S261 PolarHBondContact O-OG 2.86Å
245	G	93.4	Very high	95.3	Very high	26 Å²	26	75.1 Å²	75.1	27%	0.268	47%	0.471	S	S	.	.			trans	82	-173.6	-169.8	0	0	0	0	0	113	S261 S262	G245-S261 WeakPolarHBondContact CA-OG 3.16Å; G245-S262 CarbonylContact C-O 3.45Å; G245-S262 VanDerWaalsContact CA-O 3.22Å; G245-S262 WeakPolarHBondContact CA-O 2.82Å
246	Q	95.5	Very high	95.2	Very high	161 Å²	161	75 Å²	75	75%	0.752	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	117	170	-68.7	-178	-11.1	0	0	108.8	S261 S262	Q246-S261 CarbonylContact O-C 3.58Å; Q246-S261 VanDerWaalsContact O-CA 3.27Å; Q246-S261 WeakPolarHBondContact O-CA 3.5Å; Q246-S261 PolarHBondContact O-OG 3.09Å; Q246-S262 PolarHBondContact N-O 2.9Å; Q246-S262 PolarHBondContact O-N 2.95Å
247	G	95.4	Very high	95.2	Very high	57 Å²	57	74.2 Å²	74.2	59%	0.588	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.5	-173.6	0	0	0	0	0	113.3	S260	G247-S260 CarbonylContact C-O 3.6Å; G247-S260 VanDerWaalsContact CA-O 3.25Å; G247-S260 WeakPolarHBondContact CA-O 3.47Å
248	D	96.5	Very high	95.3	Very high	113 Å²	113	72 Å²	72	60%	0.604	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	147	171.3	-63.7	-57.1	0	0	0	109.3	A259 S260	D248-A259 CarbonylContact O-C 3.56Å; D248-A259 VanDerWaalsContact O-CA 3.31Å; D248-A259 WeakPolarHBondContact O-CA 3.27Å; D248-S260 PolarHBondContact N-O 2.88Å; D248-S260 PolarHBondContact O-N 3.31Å
249	F	96.7	Very high	95.6	Very high	115 Å²	115	67.7 Å²	67.7	50%	0.504	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.8	-178	-174.7	-88.7	0	0	0	110.3	F226 P229 F257 A259	F226-F249 HydrophobicContact CE2-CE2 4.11Å; F226-F249 HydrophobicContact CZ-CD2 4.47Å; F226-F249 AromaticContact CZ-CE2 3.83Å; F226-F249 HydrophobicContact CZ-CE2 3.83Å; P229-F249 HydrophobicContact CB-CE1 4.41Å; P229-F249 HydrophobicContact CB-CE2 4.33Å; P229-F249 HydrophobicContact CB-CZ 3.56Å; P229-F249 WeakPolarHBondContact O-CE2 3.41Å; F249-F257 AromaticContact CE1-CD1 3.38Å; F249-F257 HydrophobicContact CE1-CD1 3.38Å; F249-F257 AromaticContact CE1-CE1 3.86Å; F249-F257 HydrophobicContact CE1-CE1 3.86Å; F249-F257 HydrophobicContact CE1-CG 4.22Å; F249-F257 HydrophobicContact CE2-CB 4.11Å; F249-F257 HydrophobicContact CE2-CD1 4.33Å; F249-F257 HydrophobicContact CE2-CG 4.41Å; F249-F257 HydrophobicContact CZ-CB 3.75Å; F249-F257 AromaticContact CZ-CD1 3.22Å; F249-F257 HydrophobicContact CZ-CD1 3.22Å; F249-F257 AromaticContact CZ-CE1 3.94Å; F249-F257 HydrophobicContact CZ-CE1 3.94Å; F249-F257 AromaticContact CZ-CG 3.6Å; F249-F257 HydrophobicContact CZ-CG 3.6Å; F249-A259 HydrophobicContact CD2-CB 3.99Å
250	G	96.2	Very high	95.8	Very high	20 Å²	20	66.5 Å²	66.5	21%	0.206	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	161.1	177.1	0	0	0	0	0	113.6	H258	G250-H258 PolarHBondContact N-O 2.92Å; G250-H258 PolarHBondContact O-N 3.46Å; G250-H258 VanDerWaalsContact O-O 3.08Å
251	P	97.3	Very high	96	Very high	101 Å²	101	60.6 Å²	60.6	66%	0.656	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	155.6	175.1	34.4	-34.4	0	0	0	112.1	F257	P251-F257 HydrophobicContact CB-CD1 4.31Å; P251-F257 HydrophobicContact CB-CE1 4.28Å
252	N	97.2	Very high	96	Very high	54 Å²	54	57.6 Å²	57.6	29%	0.289	37%	0.365	S	S	.	.			trans	-96.5	167.9	162.7	-59.5	-50.8	0	0	0	109.9	D254 G255 S256 F257	N252-D254 VanDerWaalsContact CB-OD1 3.31Å; N252-D254 WeakPolarHBondContact CB-OD1 3.49Å; N252-D254 PolarHBondContact O-N 3.49Å; N252-G255 PolarHBondContact O-N 2.91Å; N252-S256 WeakPolarHBondContact CB-O 3.36Å; N252-S256 WeakPolarHBondContact CB-OG 3.34Å; N252-S256 PolarHBondContact N-O 3.31Å; N252-S256 PolarHBondContact ND2-OG 3.47Å; N252-F257 PolarHBondContact ND2-O 3.38Å; N252-F257 VanDerWaalsContact ND2-O 3.14Å
253	S	95.7	Very high	96.1	Very high	138 Å²	138	57.6 Å²	57.6	97%	0.965	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.5	-176.2	54.9	0	0	0	0	114.9
254	D	94.1	Very high	96.3	Very high	101 Å²	101	60 Å²	60	54%	0.54	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.8	-178.9	62.4	-10.4	0	0	0	113.4	N252 S256	N252-D254 VanDerWaalsContact CB-OD1 3.31Å; N252-D254 WeakPolarHBondContact CB-OD1 3.49Å; N252-D254 PolarHBondContact O-N 3.49Å; D254-S256 WeakPolarHBondContact OD1-CB 3.37Å; D254-S256 PolarHBondContact OD1-N 3.38Å; D254-S256 PolarHBondContact OD1-OG 2.96Å; D254-S256 PolarHBondContact OD2-OG 3.21Å
255	G	93.3	Very high	96.4	Very high	32 Å²	32	56.1 Å²	56.1	33%	0.33	34%	0.344	S	S	.	.	S	Bend	trans	90.1	-2.1	-175	0	0	0	0	0	114.5	N252	N252-G255 PolarHBondContact O-N 2.91Å
256	S	96.5	Very high	96.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.362	C	S	.	.			trans	-74.2	170	165	71.4	0	0	0	0	110.5	N252 D254	N252-S256 WeakPolarHBondContact CB-O 3.36Å; N252-S256 WeakPolarHBondContact CB-OG 3.34Å; N252-S256 PolarHBondContact N-O 3.31Å; N252-S256 PolarHBondContact ND2-OG 3.47Å; D254-S256 WeakPolarHBondContact OD1-CB 3.37Å; D254-S256 PolarHBondContact OD1-N 3.38Å; D254-S256 PolarHBondContact OD1-OG 2.96Å; D254-S256 PolarHBondContact OD2-OG 3.21Å
257	F	97.9	Very high	96.3	Very high	21 Å²	21	57.7 Å²	57.7	9%	0.092	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	160.4	-177.8	-64.7	-86.5	0	0	0	112.6	P55 S225 F226 Y227 P229 F249 P251 N252	P55-F257 HydrophobicContact CB-CE2 4.47Å; P55-F257 HydrophobicContact CB-CZ 4.1Å; S225-F257 PolarHBondContact N-O 3.41Å; F226-F257 WeakPolarHBondContact CD1-O 3.27Å; F226-F257 HydrophobicContact CD2-CB 4.17Å; F226-F257 HydrophobicContact CE1-CB 4.14Å; F226-F257 WeakPolarHBondContact CE1-O 3.48Å; F226-F257 HydrophobicContact CE2-CB 3.69Å; F226-F257 HydrophobicContact CZ-CB 3.67Å; F226-F257 PolarHBondContact N-O 2.9Å; F226-F257 PolarHBondContact O-N 3.49Å; Y227-F257 HydrophobicContact CD2-CD2 4.09Å; Y227-F257 AromaticContact CD2-CE2 3.75Å; Y227-F257 HydrophobicContact CD2-CE2 3.75Å; Y227-F257 HydrophobicContact CE2-CE2 4.01Å; P229-F257 HydrophobicContact CB-CD1 4.1Å; P229-F257 HydrophobicContact CB-CD2 3.71Å; P229-F257 HydrophobicContact CB-CE1 4.02Å; P229-F257 HydrophobicContact CB-CE2 3.64Å; P229-F257 HydrophobicContact CB-CG 3.94Å; P229-F257 HydrophobicContact CB-CZ 3.8Å; P229-F257 HydrophobicContact CG-CD2 4.41Å; P229-F257 HydrophobicContact CG-CE2 3.92Å; P229-F257 HydrophobicContact CG-CZ 4.09Å; F249-F257 AromaticContact CE1-CD1 3.38Å; F249-F257 HydrophobicContact CE1-CD1 3.38Å; F249-F257 AromaticContact CE1-CE1 3.86Å; F249-F257 HydrophobicContact CE1-CE1 3.86Å; F249-F257 HydrophobicContact CE1-CG 4.22Å; F249-F257 HydrophobicContact CE2-CB 4.11Å; F249-F257 HydrophobicContact CE2-CD1 4.33Å; F249-F257 HydrophobicContact CE2-CG 4.41Å; F249-F257 HydrophobicContact CZ-CB 3.75Å; F249-F257 AromaticContact CZ-CD1 3.22Å; F249-F257 HydrophobicContact CZ-CD1 3.22Å; F249-F257 AromaticContact CZ-CE1 3.94Å; F249-F257 HydrophobicContact CZ-CE1 3.94Å; F249-F257 AromaticContact CZ-CG 3.6Å; F249-F257 HydrophobicContact CZ-CG 3.6Å; P251-F257 HydrophobicContact CB-CD1 4.31Å; P251-F257 HydrophobicContact CB-CE1 4.28Å; N252-F257 PolarHBondContact ND2-O 3.38Å; N252-F257 VanDerWaalsContact ND2-O 3.14Å
258	H	98	Very high	96	Very high	51 Å²	51	57.9 Å²	57.9	24%	0.236	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140	172.1	179.2	66.9	0	0	0	109	A223 F224 G250	A223-H258 WeakPolarHBondContact O-CA 3.04Å; A223-H258 PolarHBondContact O-ND1 3.44Å; F224-H258 AromaticContact CD1-CE1 3.7Å; F224-H258 AromaticContact CD1-ND1 3.54Å; F224-H258 AromaticContact CE1-CE1 3.47Å; F224-H258 VanDerWaalsContact CE1-CE1 3.47Å; F224-H258 WeakPolarHBondContact CE1-CE1 3.38Å; F224-H258 AromaticContact CE1-ND1 3.81Å; F224-H258 AromaticContact CZ-CE1 3.89Å; G250-H258 PolarHBondContact N-O 2.92Å; G250-H258 PolarHBondContact O-N 3.46Å; G250-H258 VanDerWaalsContact O-O 3.08Å
259	A	98.1	Very high	95.9	Very high	7 Å²	7	53.7 Å²	53.7	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.6	174	0	0	0	0	0	109.6	A223 F226 L231 D248 F249	A223-A259 HydrophobicContact CB-CB 4.42Å; A223-A259 PolarHBondContact N-O 2.82Å; A223-A259 PolarHBondContact O-N 3.34Å; A223-A259 VanDerWaalsContact O-N 3.09Å; F226-A259 HydrophobicContact CE1-CB 3.95Å; F226-A259 HydrophobicContact CZ-CB 3.8Å; L231-A259 HydrophobicContact CD2-CB 4.29Å; D248-A259 CarbonylContact O-C 3.56Å; D248-A259 VanDerWaalsContact O-CA 3.31Å; D248-A259 WeakPolarHBondContact O-CA 3.27Å; F249-A259 HydrophobicContact CD2-CB 3.99Å
260	S	97.7	Very high	95.7	Very high	18 Å²	18	49.3 Å²	49.3	13%	0.126	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.4	170.6	80.8	0	0	0	0	110.6	C221 G247 D248	C221-S260 CarbonylContact O-C 3.53Å; C221-S260 VanDerWaalsContact O-CA 3.25Å; C221-S260 WeakPolarHBondContact O-CA 3.17Å; G247-S260 CarbonylContact C-O 3.6Å; G247-S260 VanDerWaalsContact CA-O 3.25Å; G247-S260 WeakPolarHBondContact CA-O 3.47Å; D248-S260 PolarHBondContact N-O 2.88Å; D248-S260 PolarHBondContact O-N 3.31Å
261	S	98	Very high	95.5	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.7	168.2	-174.3	0	0	0	0	110.5	T220 C221 F235 T244 G245 Q246	T220-S261 WeakPolarHBondContact CA-O 3.31Å; C221-S261 PolarHBondContact N-O 2.8Å; C221-S261 PolarHBondContact O-N 2.94Å; F235-S261 WeakPolarHBondContact CZ-O 3.47Å; T244-S261 PolarHBondContact O-OG 2.86Å; G245-S261 WeakPolarHBondContact CA-OG 3.16Å; Q246-S261 CarbonylContact O-C 3.58Å; Q246-S261 VanDerWaalsContact O-CA 3.27Å; Q246-S261 WeakPolarHBondContact O-CA 3.5Å; Q246-S261 PolarHBondContact O-OG 3.09Å
262	S	97.2	Very high	95.4	Very high	32 Å²	32	53.9 Å²	53.9	22%	0.224	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.8	-178.5	-64.8	0	0	0	0	112.5	L219 T220 G245 Q246	L219-S262 CarbonylContact O-C 3.52Å; L219-S262 WeakPolarHBondContact O-CA 3.21Å; T220-S262 PolarHBondContact OG1-OG 2.83Å; G245-S262 CarbonylContact C-O 3.45Å; G245-S262 VanDerWaalsContact CA-O 3.22Å; G245-S262 WeakPolarHBondContact CA-O 2.82Å; Q246-S262 PolarHBondContact N-O 2.9Å; Q246-S262 PolarHBondContact O-N 2.95Å
263	L	96.9	Very high	95.3	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.6	179.2	-174.3	67.5	0	0	0	110.7	L219 F235 A242 V265 Y273	L219-L263 PolarHBondContact N-O 3.17Å; L219-L263 PolarHBondContact O-N 3.02Å; F235-L263 HydrophobicContact CB-CD2 3.75Å; F235-L263 HydrophobicContact CD1-CD2 4.31Å; F235-L263 HydrophobicContact CD2-CB 3.89Å; F235-L263 HydrophobicContact CD2-CD2 4Å; F235-L263 HydrophobicContact CD2-CG 4.5Å; F235-L263 HydrophobicContact CE1-CB 4.41Å; F235-L263 HydrophobicContact CE2-CB 3.78Å; F235-L263 HydrophobicContact CG-CB 4.25Å; F235-L263 HydrophobicContact CG-CD2 3.76Å; F235-L263 HydrophobicContact CZ-CB 4.05Å; A242-L263 HydrophobicContact CB-CD2 4.31Å; L263-V265 HydrophobicContact CD2-CG1 4.19Å; L263-V265 HydrophobicContact CG-CG1 4.18Å; L263-Y273 HydrophobicContact CD2-CD1 4.16Å; L263-Y273 HydrophobicContact CD2-CE1 3.84Å
264	T	96.5	Very high	95.3	Very high	90 Å²	90	46.1 Å²	46.1	55%	0.552	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.9	173.8	-54.5	0	0	0	0	110.1	F216	F216-T264 HydrophobicContact CB-CG2 4.06Å; F216-T264 HydrophobicContact CD1-CG2 3.9Å; F216-T264 HydrophobicContact CG-CG2 4.24Å
265	V	95.8	Very high	95.5	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	164.9	-179.2	-57.4	0	0	0	0	110.7	F216 S217 L219 L263 E270 Y273	F216-V265 CarbonylContact C-O 3.56Å; F216-V265 VanDerWaalsContact CA-O 3.31Å; F216-V265 WeakPolarHBondContact CA-O 3.25Å; S217-V265 PolarHBondContact N-O 2.75Å; S217-V265 PolarHBondContact O-N 2.93Å; L219-V265 HydrophobicContact CD1-CG1 3.75Å; L219-V265 HydrophobicContact CD1-CG2 4.02Å; L219-V265 HydrophobicContact CD2-CG2 4.44Å; L219-V265 HydrophobicContact CG-CG1 4.13Å; L219-V265 HydrophobicContact CG-CG2 3.8Å; L263-V265 HydrophobicContact CD2-CG1 4.19Å; L263-V265 HydrophobicContact CG-CG1 4.18Å; V265-E270 HydrophobicContact CG2-CG 4.12Å; V265-Y273 HydrophobicContact CB-CE2 4.03Å; V265-Y273 HydrophobicContact CG1-CD1 4.12Å; V265-Y273 HydrophobicContact CG1-CD2 4.18Å; V265-Y273 HydrophobicContact CG1-CE1 3.65Å; V265-Y273 HydrophobicContact CG1-CE2 3.75Å; V265-Y273 HydrophobicContact CG1-CG 4.35Å; V265-Y273 VanDerWaalsContact CG1-CZ 3.44Å
266	K	95	Very high	95.7	Very high	147 Å²	147	41.2 Å²	41.2	64%	0.639	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.5	173.6	-68.7	-177.6	179.7	-179.9	0	109.8	G268 D269	K266-G268 PolarHBondContact O-N 3.22Å; K266-D269 HydrophobicContact CB-CB 4.25Å; K266-D269 WeakPolarHBondContact O-CB 3.34Å; K266-D269 PolarHBondContact O-N 3.23Å; K266-D269 VanDerWaalsContact O-N 3.08Å
267	S	92.3	Very high	95.7	Very high	72 Å²	72	41.2 Å²	41.2	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	133.1	175.4	-169.5	0	0	0	0	110.2	G215 E270	G215-S267 PolarHBondContact O-N 3.33Å; S267-E270 WeakPolarHBondContact CA-OE1 3.25Å
268	G	90.2	Very high	95.7	Very high	62 Å²	62	43.5 Å²	43.5	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	-12.6	-171.8	0	0	0	0	0	115	K266 E270	K266-G268 PolarHBondContact O-N 3.22Å; G268-E270 WeakPolarHBondContact CA-OE2 3.26Å; G268-E270 VanDerWaalsContact N-CD 3.29Å; G268-E270 PolarHBondContact N-OE1 2.91Å; G268-E270 PolarHBondContact N-OE2 3.39Å
269	D	93.6	Very high	95.7	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.128	23%	0.232	C	C	.	.			trans	-97.8	4.2	177.5	-158.4	37.3	0	0	0	112.7	R237 K266 H271 H272 Y273	R237-D269 IonicContact CZ-OD1 3.91Å; R237-D269 IonicContact CZ-OD2 3.3Å; R237-D269 VanDerWaalsContact CZ-OD2 3.3Å; R237-D269 IonicContact NE-OD1 3.93Å; R237-D269 IonicContact NE-OD2 2.8Å; R237-D269 PolarHBondContact NE-OD2 3.23Å; R237-D269 IonicContact NH2-OD1 3.06Å; R237-D269 PolarHBondContact NH2-OD1 2.95Å; R237-D269 IonicContact NH2-OD2 2.93Å; R237-D269 PolarHBondContact NH2-OD2 2.93Å; K266-D269 HydrophobicContact CB-CB 4.25Å; K266-D269 WeakPolarHBondContact O-CB 3.34Å; K266-D269 PolarHBondContact O-N 3.23Å; K266-D269 VanDerWaalsContact O-N 3.08Å; D269-H271 VanDerWaalsContact C-N 3.34Å; D269-H271 PolarHBondContact O-N 2.91Å; D269-H272 PolarHBondContact O-N 3.45Å; D269-H272 IonicContact OD1-CE1 2.67Å; D269-H272 IonicContact OD1-CG 3.61Å; D269-H272 IonicContact OD1-ND1 3.67Å; D269-H272 PolarHBondContact OD1-ND1 2.87Å; D269-Y273 VanDerWaalsContact O-CD2 3.25Å; D269-Y273 WeakPolarHBondContact O-CD2 3.42Å
270	E	92.5	Very high	95.6	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.112	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.8	-39.1	-170.4	-59.7	90.1	165.4	0	0	112.9	A209 S217 L219 V265 S267 G268 H272 Y273 L290	A209-E270 HydrophobicContact CB-CB 4.29Å; A209-E270 HydrophobicContact CB-CG 4Å; S217-E270 WeakPolarHBondContact CB-OE1 3.44Å; S217-E270 PolarHBondContact OG-OE1 3.01Å; L219-E270 HydrophobicContact CD2-CB 4.01Å; L219-E270 HydrophobicContact CD2-CG 4.13Å; V265-E270 HydrophobicContact CG2-CG 4.12Å; S267-E270 WeakPolarHBondContact CA-OE1 3.25Å; G268-E270 WeakPolarHBondContact CA-OE2 3.26Å; G268-E270 VanDerWaalsContact N-CD 3.29Å; G268-E270 PolarHBondContact N-OE1 2.91Å; G268-E270 PolarHBondContact N-OE2 3.39Å; E270-H272 PolarHBondContact O-N 3.23Å; E270-Y273 PolarHBondContact O-N 3.32Å; E270-Y273 VanDerWaalsContact O-N 3.09Å; E270-L290 HydrophobicContact CB-CD2 3.78Å
271	H	92.3	Very high	95.4	Very high	132 Å²	132	44.5 Å²	44.5	61%	0.611	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-69.4	-13.5	-176.9	-71.1	-74.1	0	0	0	114.2	D269	D269-H271 VanDerWaalsContact C-N 3.34Å; D269-H271 PolarHBondContact O-N 2.91Å
272	H	94.1	Very high	95.4	Very high	85 Å²	85	46.2 Å²	46.2	39%	0.394	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-81.9	-7.1	174.1	-63.2	111.1	0	0	0	112.7	R237 N238 D269 E270	R237-H272 CarbonylContact C-O 3.57Å; R237-H272 WeakPolarHBondContact CA-O 3.31Å; R237-H272 HydrophobicContact CG-CB 4.27Å; N238-H272 PolarHBondContact N-O 2.96Å; N238-H272 WeakPolarHBondContact OD1-CB 3.4Å; N238-H272 PolarHBondContact OD1-CD2 2.84Å; D269-H272 PolarHBondContact O-N 3.45Å; D269-H272 IonicContact OD1-CE1 2.67Å; D269-H272 IonicContact OD1-CG 3.61Å; D269-H272 IonicContact OD1-ND1 3.67Å; D269-H272 PolarHBondContact OD1-ND1 2.87Å; E270-H272 PolarHBondContact O-N 3.23Å
273	Y	96	Very high	95.3	Very high	28 Å²	28	49.9 Å²	49.9	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.5	-178.4	-70.9	-103.8	0	0	0	112.1	L219 L236 R237 A242 L263 V265 D269 E270	L219-Y273 HydrophobicContact CD1-CD1 3.97Å; L219-Y273 HydrophobicContact CD1-CD2 4.03Å; L219-Y273 HydrophobicContact CD1-CG 3.53Å; L236-Y273 CarbonylContact O-C 3.54Å; L236-Y273 WeakPolarHBondContact O-CA 3.29Å; R237-Y273 HydrophobicContact CB-CD1 4.06Å; R237-Y273 HydrophobicContact CB-CE1 3.82Å; R237-Y273 HydrophobicContact CB-CE2 4.34Å; R237-Y273 HydrophobicContact CB-CG 4.45Å; R237-Y273 WeakPolarHBondContact CD-OH 3.33Å; R237-Y273 HydrophobicContact CG-CD2 4.23Å; R237-Y273 HydrophobicContact CG-CE1 4.2Å; R237-Y273 HydrophobicContact CG-CE2 3.83Å; A242-Y273 HydrophobicContact CB-CD1 4.21Å; A242-Y273 HydrophobicContact CB-CE1 3.75Å; L263-Y273 HydrophobicContact CD2-CD1 4.16Å; L263-Y273 HydrophobicContact CD2-CE1 3.84Å; V265-Y273 HydrophobicContact CB-CE2 4.03Å; V265-Y273 HydrophobicContact CG1-CD1 4.12Å; V265-Y273 HydrophobicContact CG1-CD2 4.18Å; V265-Y273 HydrophobicContact CG1-CE1 3.65Å; V265-Y273 HydrophobicContact CG1-CE2 3.75Å; V265-Y273 HydrophobicContact CG1-CG 4.35Å; V265-Y273 VanDerWaalsContact CG1-CZ 3.44Å; D269-Y273 VanDerWaalsContact O-CD2 3.25Å; D269-Y273 WeakPolarHBondContact O-CD2 3.42Å; E270-Y273 PolarHBondContact O-N 3.32Å; E270-Y273 VanDerWaalsContact O-N 3.09Å
274	C	96.5	Very high	95.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.2	165.4	70.7	0	0	0	0	110.4	F235 L236 R287 V288 E289	F235-C274 WeakPolarHBondContact CA-O 3.29Å; L236-C274 PolarHBondContact N-O 2.86Å; L236-C274 PolarHBondContact O-N 3.48Å; C274-R287 HydrophobicContact CB-CG 4.29Å; C274-R287 PolarHBondContact SG-NE 3.3Å; C274-R287 VanDerWaalsContact SG-NE 3.44Å; C274-V288 WeakPolarHBondContact CB-O 3.42Å; C274-E289 WeakPolarHBondContact CB-OE2 3.48Å
275	C	97.3	Very high	95.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.5	176	179	0	0	0	0	109.7	L207 C221 R234 F235 V288	L207-C275 HydrophobicContact CD1-CB 4.43Å; L207-C275 HydrophobicContact CD2-CB 4.15Å; C221-C275 HydrophobicContact CB-CB 3.69Å; C221-C275 WeakPolarHBondContact CB-SG 3.36Å; C221-C275 WeakPolarHBondContact SG-CB 3.37Å; C221-C275 CovalentContact SG-SG 2.04Å; C221-C275 PolarHBondContact SG-SG 3.41Å; R234-C275 CarbonylContact O-C 3.47Å; R234-C275 WeakPolarHBondContact O-CA 3.44Å; F235-C275 HydrophobicContact CE1-CB 4.47Å; C275-V288 HydrophobicContact CB-CB 4.25Å; C275-V288 PolarHBondContact N-O 2.73Å; C275-V288 PolarHBondContact O-N 3.16Å
276	I	97.6	Very high	95.3	Very high	29 Å²	29	58.4 Å²	58.4	15%	0.149	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.6	172.5	-55.9	-57.6	0	0	0	108.2	R234 L236 P285 L286 R287	R234-I276 PolarHBondContact N-O 3.35Å; R234-I276 PolarHBondContact O-N 2.9Å; L236-I276 HydrophobicContact CD1-CD1 3.98Å; L236-I276 HydrophobicContact CD1-CG1 3.61Å; L236-I276 HydrophobicContact CG-CG1 3.91Å; I276-P285 HydrophobicContact CG2-CB 3.85Å; I276-L286 WeakPolarHBondContact CA-O 2.84Å; I276-R287 HydrophobicContact CD1-CB 3.65Å; I276-R287 HydrophobicContact CD1-CG 3.73Å
277	V	97.5	Very high	95.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.5	172.9	61.5	0	0	0	0	110.7	P203 M205 L231 Q232 L233 L282 P285 L286 V288	P203-V277 HydrophobicContact CG-CG2 4.05Å; M205-V277 HydrophobicContact CE-CB 3.8Å; M205-V277 HydrophobicContact CE-CG1 4Å; M205-V277 HydrophobicContact CE-CG2 4.16Å; M205-V277 HydrophobicContact CG-CG1 3.84Å; M205-V277 HydrophobicContact SD-CB 4.03Å; M205-V277 HydrophobicContact SD-CG1 3.86Å; M205-V277 HydrophobicContact SD-CG2 3.94Å; L231-V277 HydrophobicContact CD1-CG2 3.91Å; L231-V277 HydrophobicContact CD2-CG2 4.09Å; L231-V277 HydrophobicContact CG-CG2 3.93Å; Q232-V277 WeakPolarHBondContact O-CA 3.48Å; L233-V277 HydrophobicContact CD2-CB 3.86Å; L233-V277 HydrophobicContact CD2-CG2 3.81Å; V277-L282 HydrophobicContact CG1-CD1 3.92Å; V277-P285 CarbonylContact O-C 3.55Å; V277-P285 VanDerWaalsContact O-CA 3.29Å; V277-P285 WeakPolarHBondContact O-CA 3.32Å; V277-L286 HydrophobicContact CG1-CB 3.65Å; V277-L286 HydrophobicContact CG1-CD2 4.25Å; V277-L286 HydrophobicContact CG1-CG 4.28Å; V277-L286 PolarHBondContact N-O 2.74Å; V277-L286 PolarHBondContact O-N 2.85Å; V277-V288 HydrophobicContact CG1-CG2 4.38Å
278	Q	97.1	Very high	95.6	Very high	69 Å²	69	54.9 Å²	54.9	32%	0.322	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.6	170.8	-61.1	-174.9	-21	0	0	108.8	Q232 P285	Q232-Q278 HydrophobicContact CB-CB 4.36Å; Q232-Q278 PolarHBondContact N-O 3.36Å; Q232-Q278 PolarHBondContact O-N 2.87Å; Q278-P285 HydrophobicContact CG-CB 3.93Å; Q278-P285 HydrophobicContact CG-CG 3.98Å
279	H	97.5	Very high	95.8	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.065	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147.6	-177.2	-179.3	-100.4	0	0	0	110.1	E201 P203 F226 Y227 P228 E230 L231 G281 L282	E201-H279 PolarHBondContact O-CE1 2.82Å; P203-H279 HydrophobicContact CG-CB 4.3Å; F226-H279 AromaticContact CD2-CD2 3.85Å; F226-H279 AromaticContact CD2-NE2 3.67Å; Y227-H279 PolarHBondContact O-CE1 3.45Å; P228-H279 PolarHBondContact O-NE2 2.88Å; E230-H279 PolarHBondContact O-CD2 2.96Å; L231-H279 HydrophobicContact CD1-CB 4.34Å; H279-G281 PolarHBondContact CE1-N 2.85Å; H279-G281 PolarHBondContact ND1-N 3.41Å; H279-G281 PolarHBondContact O-N 2.97Å; H279-L282 HydrophobicContact CB-CD1 4.23Å; H279-L282 HydrophobicContact CB-CG 4.43Å; H279-L282 PolarHBondContact O-N 2.88Å
280	A	95.5	Very high	95.9	Very high	58 Å²	58	56.5 Å²	56.5	48%	0.479	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.8	-175.8	0	0	0	0	0	114.3	P228 L282	P228-A280 HydrophobicContact CG-CB 4.05Å; A280-L282 VanDerWaalsContact C-N 3.29Å
281	G	94.7	Very high	95.6	Very high	25 Å²	25	58.4 Å²	58.4	26%	0.258	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.7	172.2	0	0	0	0	0	114	H279	H279-G281 PolarHBondContact CE1-N 2.85Å; H279-G281 PolarHBondContact ND1-N 3.41Å; H279-G281 PolarHBondContact O-N 2.97Å
282	L	96.8	Very high	94.6	Very high	42 Å²	42	56.5 Å²	56.5	22%	0.22	32%	0.315	C	S	.	.	S	Bend	trans	-107.2	129.8	178	-62.2	172.2	0	0	0	110.2	P202 P203 V277 H279 A280 Q284 L286	P202-L282 HydrophobicContact CB-CD2 3.67Å; P202-L282 HydrophobicContact CB-CG 4.15Å; P203-L282 HydrophobicContact CG-CD1 4.31Å; V277-L282 HydrophobicContact CG1-CD1 3.92Å; H279-L282 HydrophobicContact CB-CD1 4.23Å; H279-L282 HydrophobicContact CB-CG 4.43Å; H279-L282 PolarHBondContact O-N 2.88Å; A280-L282 VanDerWaalsContact C-N 3.29Å; L282-Q284 PolarHBondContact O-N 3.23Å; L282-L286 HydrophobicContact CD1-CB 3.9Å
283	A	95.7	Very high	93.1	Very high	110 Å²	110	57.7 Å²	57.7	91%	0.909	33%	0.33	S	S	*	.	S	Bend	trans	-65	-28.6	178.1	0	0	0	0	0	113
284	Q	95.9	Very high	90.8	Very high	157 Å²	157	60.8 Å²	60.8	73%	0.734	36%	0.361	S	S	*	.	S	Bend	trans	-144	157.9	179	-62.8	-176.3	7.2	0	0	109.6	L282 L286	L282-Q284 PolarHBondContact O-N 3.23Å; Q284-L286 PolarHBondContact O-N 2.93Å
285	P	96.4	Very high	88.6	Confident	75 Å²	75	70.2 Å²	70.2	49%	0.487	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-54.9	128	174.1	-24	33.8	0	0	0	111.5	I276 V277 Q278	I276-P285 HydrophobicContact CG2-CB 3.85Å; V277-P285 CarbonylContact O-C 3.55Å; V277-P285 VanDerWaalsContact O-CA 3.29Å; V277-P285 WeakPolarHBondContact O-CA 3.32Å; Q278-P285 HydrophobicContact CG-CB 3.93Å; Q278-P285 HydrophobicContact CG-CG 3.98Å
286	L	96.9	Very high	86.5	Confident	72 Å²	72	73.7 Å²	73.7	38%	0.377	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.1	179.8	174.8	69	0	0	0	109.8	M205 I276 V277 L282 Q284 V288	M205-L286 HydrophobicContact CG-CD2 3.99Å; I276-L286 WeakPolarHBondContact CA-O 2.84Å; V277-L286 HydrophobicContact CG1-CB 3.65Å; V277-L286 HydrophobicContact CG1-CD2 4.25Å; V277-L286 HydrophobicContact CG1-CG 4.28Å; V277-L286 PolarHBondContact N-O 2.74Å; V277-L286 PolarHBondContact O-N 2.85Å; L282-L286 HydrophobicContact CD1-CB 3.9Å; Q284-L286 PolarHBondContact O-N 2.93Å; L286-V288 HydrophobicContact CD2-CG2 4.35Å; L286-V288 HydrophobicContact CG-CG2 4.26Å
287	R	96.9	Very high	84.8	Confident	130 Å²	130	76.3 Å²	76.3	49%	0.491	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.1	173.5	-179.5	169.5	170.8	144	1.8	110.1	C274 I276 E289	C274-R287 HydrophobicContact CB-CG 4.29Å; C274-R287 PolarHBondContact SG-NE 3.3Å; C274-R287 VanDerWaalsContact SG-NE 3.44Å; I276-R287 HydrophobicContact CD1-CB 3.65Å; I276-R287 HydrophobicContact CD1-CG 3.73Å; R287-E289 IonicContact CZ-OE1 3.59Å; R287-E289 IonicContact NE-OE1 3.56Å; R287-E289 PolarHBondContact NE-OE1 2.93Å; R287-E289 IonicContact NH2-OE1 2.72Å; R287-E289 PolarHBondContact NH2-OE1 2.92Å; R287-E289 VanDerWaalsContact NH2-OE1 3.13Å
288	V	96.4	Very high	83.7	Confident	15 Å²	15	81.3 Å²	81.3	9%	0.091	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.4	-175.7	-173	0	0	0	0	108.2	M205 L207 C274 C275 V277 L286	M205-V288 HydrophobicContact CB-CB 4.47Å; M205-V288 HydrophobicContact CB-CG1 4.04Å; M205-V288 HydrophobicContact CB-CG2 3.55Å; M205-V288 HydrophobicContact CE-CG2 4.08Å; M205-V288 HydrophobicContact CG-CG2 3.81Å; L207-V288 HydrophobicContact CB-CG1 3.87Å; L207-V288 WeakPolarHBondContact CD2-O 3.43Å; C274-V288 WeakPolarHBondContact CB-O 3.42Å; C275-V288 HydrophobicContact CB-CB 4.25Å; C275-V288 PolarHBondContact N-O 2.73Å; C275-V288 PolarHBondContact O-N 3.16Å; V277-V288 HydrophobicContact CG1-CG2 4.38Å; L286-V288 HydrophobicContact CD2-CG2 4.35Å; L286-V288 HydrophobicContact CG-CG2 4.26Å
289	E	95.3	Very high	82.7	Confident	98 Å²	98	83.9 Å²	83.9	46%	0.458	49%	0.493	S	S	.	.			trans	-87.6	157.9	178.2	-62.3	-62.1	164.9	0	0	111.2	C274 R287 E291	C274-E289 WeakPolarHBondContact CB-OE2 3.48Å; R287-E289 IonicContact CZ-OE1 3.59Å; R287-E289 IonicContact NE-OE1 3.56Å; R287-E289 PolarHBondContact NE-OE1 2.93Å; R287-E289 IonicContact NH2-OE1 2.72Å; R287-E289 PolarHBondContact NH2-OE1 2.92Å; R287-E289 VanDerWaalsContact NH2-OE1 3.13Å; E289-E291 PolarHBondContact O-N 2.82Å
290	L	94.4	Very high	82	Confident	22 Å²	22	87.5 Å²	87.5	12%	0.115	52%	0.516	C	S	.	.			trans	-61.5	129	179.9	-176.7	64.3	0	0	0	110.5	L207 A209 L219 E270 S292	L207-L290 HydrophobicContact CD2-CB 4.36Å; L207-L290 HydrophobicContact CG-CD1 4.04Å; A209-L290 HydrophobicContact CB-CD1 3.85Å; A209-L290 HydrophobicContact CB-CD2 4.3Å; L219-L290 HydrophobicContact CD2-CD1 4.09Å; E270-L290 HydrophobicContact CB-CD2 3.78Å; L290-S292 PolarHBondContact O-N 2.83Å
291	E	87.8	Confident	81.5	Confident	65 Å²	65	88.4 Å²	88.4	30%	0.304	52%	0.515	S	S	.	.			trans	-59.4	114.8	173.9	-73	-169.6	155.2	0	0	109.3	R206 L207 K208 E289	R206-E291 WeakPolarHBondContact CD-OE1 3.34Å; R206-E291 IonicContact CZ-OE1 3.36Å; R206-E291 IonicContact NE-OE1 2.69Å; R206-E291 IonicContact NH1-OE1 3.13Å; R206-E291 PolarHBondContact NH1-OE1 2.8Å; L207-E291 WeakPolarHBondContact O-CB 3.22Å; L207-E291 WeakPolarHBondContact O-CG 3.48Å; L207-E291 PolarHBondContact O-N 2.91Å; K208-E291 WeakPolarHBondContact CE-OE2 3.35Å; K208-E291 WeakPolarHBondContact CG-OE2 3.45Å; K208-E291 IonicContact NZ-OE2 3.23Å; E289-E291 PolarHBondContact O-N 2.82Å
292	S	71.2	Confident	81.2	Confident	92 Å²	92	89.1 Å²	89.1	64%	0.643	52%	0.523	S	S	*	.			trans	-61.4	131	168.7	-68.2	0	0	0	0	107.4	L290 A294	L290-S292 PolarHBondContact O-N 2.83Å; S292-A294 PolarHBondContact O-N 2.91Å
293	P	61.2	Low	80.9	Confident	110 Å²	110	91.9 Å²	91.9	71%	0.714	54%	0.537	S	S	*	.			trans	-53.7	117.3	171	22.5	-30.8	0	0	0	105.9	K295	P293-K295 PolarHBondContact O-N 2.99Å
294	A	49.3	Very low	80.7	Confident	93 Å²	93	90.3 Å²	90.3	77%	0.769	52%	0.516	S	S	*	.			trans	-49.4	112.6	-179.7	0	0	0	0	0	106.3	S292 S296	S292-A294 PolarHBondContact O-N 2.91Å; A294-S296 PolarHBondContact O-N 2.84Å
295	K	49.1	Very low	80.7	Confident	199 Å²	199	87.2 Å²	87.2	87%	0.865	50%	0.503	S	S	*	.			trans	-51.8	111.1	175.3	-84.4	178.1	178.7	173.5	0	104.7	P293 S297	P293-K295 PolarHBondContact O-N 2.99Å; K295-S297 PolarHBondContact O-N 2.82Å
296	S	52.6	Low	80.5	Confident	73 Å²	73	85 Å²	85	51%	0.51	49%	0.494	S	S	.	.			trans	-41.5	112	-167.6	-176.2	0	0	0	0	108.8	A294 V298 L299	A294-S296 PolarHBondContact O-N 2.84Å; S296-V298 PolarHBondContact O-N 2.84Å; S296-V298 WeakPolarHBondContact OG-CB 3.46Å; S296-V298 WeakPolarHBondContact OG-CG2 3.41Å; S296-L299 PolarHBondContact O-N 2.9Å
297	S	63.8	Low	80.5	Confident	83 Å²	83	85.2 Å²	85.2	58%	0.58	50%	0.498	S	S	*	.	H	α-helix	trans	-55.9	-19.2	177.5	55.9	0	0	0	0	110.2	K295 L299 V300 V301	K295-S297 PolarHBondContact O-N 2.82Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 2.56Å; S297-V300 PolarHBondContact O-N 3.41Å; S297-V300 VanDerWaalsContact O-N 3.16Å; S297-V301 VanDerWaalsContact O-CB 3.27Å; S297-V301 WeakPolarHBondContact O-CB 3.48Å; S297-V301 WeakPolarHBondContact O-CG2 3.27Å; S297-V301 PolarHBondContact O-N 3.02Å
298	V	73	Confident	80.4	Confident	105 Å²	105	84.2 Å²	84.2	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-52.4	-39.7	170.5	-173.2	0	0	0	0	112.7	S296 G302	S296-V298 PolarHBondContact O-N 2.84Å; S296-V298 WeakPolarHBondContact OG-CB 3.46Å; S296-V298 WeakPolarHBondContact OG-CG2 3.41Å; V298-G302 WeakPolarHBondContact O-CA 3.25Å; V298-G302 PolarHBondContact O-N 2.86Å
299	L	76.7	Confident	80.4	Confident	124 Å²	124	89.1 Å²	89.1	65%	0.649	53%	0.527	S	S	*	.	H	α-helix	trans	-71.9	-41.5	178.8	-163.7	116.3	0	0	0	111.1	S296 S297 G302 I303	S296-L299 PolarHBondContact O-N 2.9Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 2.56Å; L299-G302 PolarHBondContact O-N 2.88Å; L299-I303 HydrophobicContact CD2-CD1 3.78Å; L299-I303 HydrophobicContact CG-CD1 4.32Å; L299-I303 WeakPolarHBondContact O-CD1 3.44Å; L299-I303 WeakPolarHBondContact O-CG1 3.39Å; L299-I303 PolarHBondContact O-N 2.89Å
300	V	82.4	Confident	80.4	Confident	89 Å²	89	90.4 Å²	90.4	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-67.5	-46.6	177.4	-179.9	0	0	0	0	110.7	S297 G302 I303 V304	S297-V300 PolarHBondContact O-N 3.41Å; S297-V300 VanDerWaalsContact O-N 3.16Å; V300-G302 VanDerWaalsContact C-N 3.32Å; V300-G302 PolarHBondContact O-N 2.79Å; V300-I303 PolarHBondContact O-N 3.18Å; V300-V304 HydrophobicContact CG1-CG2 4.49Å; V300-V304 VanDerWaalsContact O-CG2 3.29Å; V300-V304 WeakPolarHBondContact O-CG2 3.19Å; V300-V304 PolarHBondContact O-N 3.02Å
301	V	86.1	Confident	80.4	Confident	77 Å²	77	92.8 Å²	92.8	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-42.4	175.3	172.2	0	0	0	0	110.2	S297 V304 I305	S297-V301 VanDerWaalsContact O-CB 3.27Å; S297-V301 WeakPolarHBondContact O-CB 3.48Å; S297-V301 WeakPolarHBondContact O-CG2 3.27Å; S297-V301 PolarHBondContact O-N 3.02Å; V301-V304 PolarHBondContact O-N 2.83Å; V301-I305 HydrophobicContact CG1-CD1 3.77Å; V301-I305 HydrophobicContact CG1-CG1 4.41Å; V301-I305 WeakPolarHBondContact O-CB 3.22Å; V301-I305 VanDerWaalsContact O-CG1 3.27Å; V301-I305 WeakPolarHBondContact O-CG1 3.36Å; V301-I305 PolarHBondContact O-N 3.04Å
302	G	87.8	Confident	80.6	Confident	41 Å²	41	92.6 Å²	92.6	42%	0.423	56%	0.562	S	S	.	*	H	α-helix	trans	-61.2	-43.3	174.8	0	0	0	0	0	113	V298 L299 V300 G306	V298-G302 WeakPolarHBondContact O-CA 3.25Å; V298-G302 PolarHBondContact O-N 2.86Å; L299-G302 PolarHBondContact O-N 2.88Å; V300-G302 VanDerWaalsContact C-N 3.32Å; V300-G302 PolarHBondContact O-N 2.79Å; G302-G306 PolarHBondContact O-N 2.94Å
303	I	90.2	Very high	81.7	Confident	99 Å²	99	91.3 Å²	91.3	51%	0.508	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-45.2	174.9	-69	163.8	0	0	0	110.6	L299 V300 I305 G306 V307	L299-I303 HydrophobicContact CD2-CD1 3.78Å; L299-I303 HydrophobicContact CG-CD1 4.32Å; L299-I303 WeakPolarHBondContact O-CD1 3.44Å; L299-I303 WeakPolarHBondContact O-CG1 3.39Å; L299-I303 PolarHBondContact O-N 2.89Å; V300-I303 PolarHBondContact O-N 3.18Å; I303-I305 PolarHBondContact O-N 2.79Å; I303-G306 PolarHBondContact O-N 3.03Å; I303-V307 HydrophobicContact CG2-CG2 4.26Å; I303-V307 WeakPolarHBondContact O-CG2 3.42Å; I303-V307 PolarHBondContact O-N 2.98Å
304	V	92.3	Very high	83.2	Confident	78 Å²	78	89.2 Å²	89.2	47%	0.473	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-45.8	179.5	171.7	0	0	0	0	111	V300 V301 V307 L308	V300-V304 HydrophobicContact CG1-CG2 4.49Å; V300-V304 VanDerWaalsContact O-CG2 3.29Å; V300-V304 WeakPolarHBondContact O-CG2 3.19Å; V300-V304 PolarHBondContact O-N 3.02Å; V301-V304 PolarHBondContact O-N 2.83Å; V304-V307 PolarHBondContact O-N 2.98Å; V304-L308 HydrophobicContact CG1-CD1 4.02Å; V304-L308 WeakPolarHBondContact O-CB 3.04Å; V304-L308 WeakPolarHBondContact O-CG 3Å; V304-L308 PolarHBondContact O-N 3.36Å
305	I	94.2	Very high	85.3	Confident	91 Å²	91	89 Å²	89	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-61.6	-44.6	175	-67.3	169	0	0	0	110.3	V301 I303 V307 L308 L309	V301-I305 HydrophobicContact CG1-CD1 3.77Å; V301-I305 HydrophobicContact CG1-CG1 4.41Å; V301-I305 WeakPolarHBondContact O-CB 3.22Å; V301-I305 VanDerWaalsContact O-CG1 3.27Å; V301-I305 WeakPolarHBondContact O-CG1 3.36Å; V301-I305 PolarHBondContact O-N 3.04Å; I303-I305 PolarHBondContact O-N 2.79Å; I305-V307 PolarHBondContact O-N 3.31Å; I305-L308 PolarHBondContact O-N 2.99Å; I305-L309 HydrophobicContact CG2-CD1 4.02Å; I305-L309 HydrophobicContact CG2-CG 4.44Å; I305-L309 WeakPolarHBondContact O-CG 3.37Å; I305-L309 PolarHBondContact O-N 2.95Å
306	G	93.8	Very high	87.2	Confident	29 Å²	29	81 Å²	81	30%	0.299	51%	0.511	S	S	.	.	H	α-helix	trans	-60.3	-43.9	177.9	0	0	0	0	0	113.3	G302 I303 L309 L310	G302-G306 PolarHBondContact O-N 2.94Å; I303-G306 PolarHBondContact O-N 3.03Å; G306-L309 PolarHBondContact O-N 3.02Å; G306-L310 WeakPolarHBondContact O-CB 3.36Å; G306-L310 WeakPolarHBondContact O-CG 3.39Å; G306-L310 PolarHBondContact O-N 2.87Å
307	V	95.3	Very high	89	Confident	77 Å²	77	79.3 Å²	79.3	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-66.8	-40.5	176.9	172.7	0	0	0	0	111.1	I303 V304 I305 L309 L310 T311	I303-V307 HydrophobicContact CG2-CG2 4.26Å; I303-V307 WeakPolarHBondContact O-CG2 3.42Å; I303-V307 PolarHBondContact O-N 2.98Å; V304-V307 PolarHBondContact O-N 2.98Å; I305-V307 PolarHBondContact O-N 3.31Å; V307-L309 VanDerWaalsContact C-N 3.35Å; V307-L309 PolarHBondContact O-N 2.89Å; V307-L310 PolarHBondContact O-N 2.56Å; V307-T311 HydrophobicContact CG1-CG2 4.23Å; V307-T311 WeakPolarHBondContact O-CB 3.2Å; V307-T311 VanDerWaalsContact O-CG2 3.29Å; V307-T311 WeakPolarHBondContact O-CG2 3.31Å; V307-T311 PolarHBondContact O-N 3.19Å; V307-T311 PolarHBondContact O-OG1 2.91Å
308	L	95.9	Very high	90.1	Very high	109 Å²	109	78 Å²	78	57%	0.571	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-42.4	174.9	-78.4	166.5	0	0	0	111.8	V304 I305 T311 A312	V304-L308 HydrophobicContact CG1-CD1 4.02Å; V304-L308 WeakPolarHBondContact O-CB 3.04Å; V304-L308 WeakPolarHBondContact O-CG 3Å; V304-L308 PolarHBondContact O-N 3.36Å; I305-L308 PolarHBondContact O-N 2.99Å; L308-T311 WeakPolarHBondContact CA-OG1 3.29Å; L308-T311 PolarHBondContact O-OG1 2.04Å; L308-A312 VanDerWaalsContact O-CB 3.3Å; L308-A312 WeakPolarHBondContact O-CB 3.5Å; L308-A312 PolarHBondContact O-N 2.79Å
309	L	96	Very high	90.8	Very high	117 Å²	117	78.2 Å²	78.2	61%	0.613	50%	0.497	S	S	*	.	H	α-helix	trans	-66.4	-42	176.4	-69.2	173.3	0	0	0	112.2	I305 G306 V307 A312 A313	I305-L309 HydrophobicContact CG2-CD1 4.02Å; I305-L309 HydrophobicContact CG2-CG 4.44Å; I305-L309 WeakPolarHBondContact O-CG 3.37Å; I305-L309 PolarHBondContact O-N 2.95Å; G306-L309 PolarHBondContact O-N 3.02Å; V307-L309 VanDerWaalsContact C-N 3.35Å; V307-L309 PolarHBondContact O-N 2.89Å; L309-A312 PolarHBondContact O-N 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.42Å; L309-A313 PolarHBondContact O-N 2.78Å
310	L	95.2	Very high	91.2	Very high	126 Å²	126	75.4 Å²	75.4	66%	0.66	48%	0.483	S	S	*	.	H	α-helix	trans	-66.2	-41.4	177.5	-76	170.7	0	0	0	112.4	G306 V307 A313 A314	G306-L310 WeakPolarHBondContact O-CB 3.36Å; G306-L310 WeakPolarHBondContact O-CG 3.39Å; G306-L310 PolarHBondContact O-N 2.87Å; V307-L310 PolarHBondContact O-N 2.56Å; L310-A313 PolarHBondContact O-N 2.96Å; L310-A314 VanDerWaalsContact O-CB 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.46Å; L310-A314 PolarHBondContact O-N 3.13Å
311	T	93.6	Very high	91.3	Very high	71 Å²	71	78.5 Å²	78.5	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-41.6	176.6	51.4	0	0	0	0	111.2	V307 L308 A313 A314 V315	V307-T311 HydrophobicContact CG1-CG2 4.23Å; V307-T311 WeakPolarHBondContact O-CB 3.2Å; V307-T311 VanDerWaalsContact O-CG2 3.29Å; V307-T311 WeakPolarHBondContact O-CG2 3.31Å; V307-T311 PolarHBondContact O-N 3.19Å; V307-T311 PolarHBondContact O-OG1 2.91Å; L308-T311 WeakPolarHBondContact CA-OG1 3.29Å; L308-T311 PolarHBondContact O-OG1 2.04Å; T311-A313 PolarHBondContact O-N 2.87Å; T311-A314 PolarHBondContact O-N 2.82Å; T311-V315 WeakPolarHBondContact O-CB 3.48Å; T311-V315 VanDerWaalsContact O-CG2 3.26Å; T311-V315 WeakPolarHBondContact O-CG2 3.44Å; T311-V315 PolarHBondContact O-N 2.69Å
312	A	93.7	Very high	91.3	Very high	62 Å²	62	84.4 Å²	84.4	51%	0.512	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-43.2	172.9	0	0	0	0	0	112	L308 L309 G316	L308-A312 VanDerWaalsContact O-CB 3.3Å; L308-A312 WeakPolarHBondContact O-CB 3.5Å; L308-A312 PolarHBondContact O-N 2.79Å; L309-A312 PolarHBondContact O-N 3.28Å; A312-G316 PolarHBondContact O-N 2.77Å
313	A	93.9	Very high	90.9	Very high	65 Å²	65	87.7 Å²	87.7	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-40.9	176.1	0	0	0	0	0	112.5	L309 L310 T311 G317	L309-A313 WeakPolarHBondContact O-CB 3.42Å; L309-A313 PolarHBondContact O-N 2.78Å; L310-A313 PolarHBondContact O-N 2.96Å; T311-A313 PolarHBondContact O-N 2.87Å; A313-G317 PolarHBondContact O-N 2.91Å
314	A	92.9	Very high	90.3	Very high	66 Å²	66	89.1 Å²	89.1	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-68.1	-42.8	177.9	0	0	0	0	0	112.2	L310 T311 G317 A318	L310-A314 VanDerWaalsContact O-CB 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.46Å; L310-A314 PolarHBondContact O-N 3.13Å; T311-A314 PolarHBondContact O-N 2.82Å; A314-G317 PolarHBondContact O-N 2.9Å; A314-A318 VanDerWaalsContact O-CB 3.25Å; A314-A318 WeakPolarHBondContact O-CB 3.2Å; A314-A318 PolarHBondContact O-N 3.33Å
315	V	92.4	Very high	89.7	Confident	87 Å²	87	94.6 Å²	94.6	53%	0.527	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-45.1	175.2	173.2	0	0	0	0	110.3	T311 G317 A318 L319	T311-V315 WeakPolarHBondContact O-CB 3.48Å; T311-V315 VanDerWaalsContact O-CG2 3.26Å; T311-V315 WeakPolarHBondContact O-CG2 3.44Å; T311-V315 PolarHBondContact O-N 2.69Å; V315-G317 PolarHBondContact O-N 2.91Å; V315-A318 PolarHBondContact O-N 2.92Å; V315-L319 HydrophobicContact CG1-CD1 3.86Å; V315-L319 HydrophobicContact CG1-CG 4.33Å; V315-L319 WeakPolarHBondContact O-CB 3.46Å; V315-L319 VanDerWaalsContact O-CG 3.24Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; V315-L319 PolarHBondContact O-N 2.76Å
316	G	89.6	Confident	88.7	Confident	31 Å²	31	93.9 Å²	93.9	32%	0.32	52%	0.519	S	S	.	.	H	α-helix	trans	-58.8	-45.5	174.3	0	0	0	0	0	112.4	A312 L319 L320	A312-G316 PolarHBondContact O-N 2.77Å; G316-L319 PolarHBondContact O-N 2.95Å; G316-L320 WeakPolarHBondContact O-CB 3.06Å; G316-L320 WeakPolarHBondContact O-CG 3.45Å; G316-L320 PolarHBondContact O-N 3.22Å
317	G	89.5	Confident	87.5	Confident	38 Å²	38	95.8 Å²	95.8	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-43.5	176	0	0	0	0	0	113.2	A313 A314 V315 L320 W321	A313-G317 PolarHBondContact O-N 2.91Å; A314-G317 PolarHBondContact O-N 2.9Å; V315-G317 PolarHBondContact O-N 2.91Å; G317-L320 PolarHBondContact O-N 3.25Å; G317-W321 WeakPolarHBondContact O-CB 3.21Å; G317-W321 PolarHBondContact O-N 2.78Å
318	A	88.8	Confident	85.8	Confident	56 Å²	56	96.5 Å²	96.5	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-40.5	177	0	0	0	0	0	112.1	A314 V315 W321 R322	A314-A318 VanDerWaalsContact O-CB 3.25Å; A314-A318 WeakPolarHBondContact O-CB 3.2Å; A314-A318 PolarHBondContact O-N 3.33Å; V315-A318 PolarHBondContact O-N 2.92Å; A318-W321 PolarHBondContact O-N 3.08Å; A318-R322 WeakPolarHBondContact O-CB 3.33Å; A318-R322 PolarHBondContact O-N 3.44Å
319	L	87	Confident	84.1	Confident	109 Å²	109	94.9 Å²	94.9	57%	0.571	54%	0.536	S	S	*	.	H	α-helix	trans	-64.5	-43.8	175.2	-73.7	171.6	0	0	0	111.4	V315 G316 R322 R323	V315-L319 HydrophobicContact CG1-CD1 3.86Å; V315-L319 HydrophobicContact CG1-CG 4.33Å; V315-L319 WeakPolarHBondContact O-CB 3.46Å; V315-L319 VanDerWaalsContact O-CG 3.24Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; V315-L319 PolarHBondContact O-N 2.76Å; G316-L319 PolarHBondContact O-N 2.95Å; L319-R322 PolarHBondContact O-N 3.09Å; L319-R323 WeakPolarHBondContact O-CB 3.39Å; L319-R323 PolarHBondContact O-N 2.8Å
320	L	84.5	Confident	82.3	Confident	66 Å²	66	90.3 Å²	90.3	35%	0.346	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-43.7	174.5	-76.1	170	0	0	0	111.5	G316 G317 R323 M324	G316-L320 WeakPolarHBondContact O-CB 3.06Å; G316-L320 WeakPolarHBondContact O-CG 3.45Å; G316-L320 PolarHBondContact O-N 3.22Å; G317-L320 PolarHBondContact O-N 3.25Å; L320-R323 PolarHBondContact O-N 3.44Å; L320-M324 WeakPolarHBondContact O-CG 3.5Å; L320-M324 PolarHBondContact O-N 3.42Å
321	W	84.6	Confident	80.6	Confident	154 Å²	154	87 Å²	87	58%	0.583	50%	0.501	S	S	*	.	H	α-helix	trans	-65.2	-40.3	177.9	-169.5	18.8	0	0	0	112.6	G317 A318 M324 R325	G317-W321 WeakPolarHBondContact O-CB 3.21Å; G317-W321 PolarHBondContact O-N 2.78Å; A318-W321 PolarHBondContact O-N 3.08Å; W321-M324 PolarHBondContact O-N 2.94Å; W321-R325 VanDerWaalsContact CZ2-NH2 3.33Å; W321-R325 PolarHBondContact O-N 3.15Å
322	R	86	Confident	79.4	Confident	201 Å²	201	92.2 Å²	92.2	76%	0.758	51%	0.512	S	S	*	.	H	α-helix	trans	-66.9	-36.3	176.5	-157.6	175.8	-171.6	179.6	2.1	111.8	A318 L319 S326	A318-R322 WeakPolarHBondContact O-CB 3.33Å; A318-R322 PolarHBondContact O-N 3.44Å; L319-R322 PolarHBondContact O-N 3.09Å; R322-S326 PolarHBondContact O-N 2.86Å; R322-S326 PolarHBondContact O-OG 2.72Å
323	R	79.3	Confident	77.5	Confident	109 Å²	109	94.8 Å²	94.8	41%	0.411	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-45.3	171.9	-116.7	-173.8	166.7	165.3	-6.4	112.1	L319 L320 R325 S326 L328	L319-R323 WeakPolarHBondContact O-CB 3.39Å; L319-R323 PolarHBondContact O-N 2.8Å; L320-R323 PolarHBondContact O-N 3.44Å; R323-R325 VanDerWaalsContact C-N 3.35Å; R323-R325 PolarHBondContact O-N 2.8Å; R323-S326 WeakPolarHBondContact CA-OG 3.49Å; R323-S326 PolarHBondContact O-N 3.29Å; R323-S326 PolarHBondContact O-OG 3.18Å; R323-L328 HydrophobicContact CG-CB 3.98Å; R323-L328 HydrophobicContact CG-CD1 4.3Å; R323-L328 PolarHBondContact O-N 2.8Å
324	M	77.9	Confident	75.7	Confident	129 Å²	129	96.2 Å²	96.2	64%	0.635	52%	0.522	S	S	*	.	H	α-helix	trans	-64.4	-36.4	178.1	-71.3	-170.4	-64	0	0	112.7	L320 W321 S326 G327	L320-M324 WeakPolarHBondContact O-CG 3.5Å; L320-M324 PolarHBondContact O-N 3.42Å; W321-M324 PolarHBondContact O-N 2.94Å; M324-S326 VanDerWaalsContact C-N 3.34Å; M324-G327 PolarHBondContact O-N 2.93Å
325	R	79	Confident	74	Confident	194 Å²	194	100.5 Å²	100.5	73%	0.732	54%	0.535	S	S	*	.	H	α-helix	trans	-71.1	-24.4	174.8	-83.9	-169.8	-175.5	-175.4	2.5	114.5	W321 R323 G327	W321-R325 VanDerWaalsContact CZ2-NH2 3.33Å; W321-R325 PolarHBondContact O-N 3.15Å; R323-R325 VanDerWaalsContact C-N 3.35Å; R323-R325 PolarHBondContact O-N 2.8Å; R325-G327 VanDerWaalsContact C-N 3.3Å
326	S	73.8	Confident	71.8	Confident	75 Å²	75	107.9 Å²	107.9	52%	0.524	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89	5.9	179.5	41.4	0	0	0	0	113.3	R322 R323 M324 L328	R322-S326 PolarHBondContact O-N 2.86Å; R322-S326 PolarHBondContact O-OG 2.72Å; R323-S326 WeakPolarHBondContact CA-OG 3.49Å; R323-S326 PolarHBondContact O-N 3.29Å; R323-S326 PolarHBondContact O-OG 3.18Å; M324-S326 VanDerWaalsContact C-N 3.34Å; S326-L328 PolarHBondContact O-N 3.06Å
327	G	67.9	Low	69.7	Low	69 Å²	69	109.7 Å²	109.7	71%	0.711	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	72	13.2	-180	0	0	0	0	0	113.9	M324 R325	M324-G327 PolarHBondContact O-N 2.93Å; R325-G327 VanDerWaalsContact C-N 3.3Å
328	L	60.2	Low	67.5	Low	92 Å²	92	115.8 Å²	115.8	48%	0.482	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-84.2	130.2	176.3	-78.7	155.2	0	0	0	109.5	R323 S326	R323-L328 HydrophobicContact CG-CB 3.98Å; R323-L328 HydrophobicContact CG-CD1 4.3Å; R323-L328 PolarHBondContact O-N 2.8Å; S326-L328 PolarHBondContact O-N 3.06Å
329	P	61	Low	65.5	Low	76 Å²	76	121 Å²	121	49%	0.494	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-60.7	148.4	176.9	23.8	-31	0	0	0	110.8
330	A	57.4	Low	63.7	Low	21 Å²	21	122.5 Å²	122.5	17%	0.174	63%	0.63	C	S	.	*	P	Polyproline II helix	trans	-56.2	138.7	173.8	0	0	0	0	0	109.6	W332 I333	A330-W332 HydrophobicContact CB-CZ2 4.36Å; A330-W332 PolarHBondContact O-N 2.94Å; A330-I333 HydrophobicContact CB-CD1 3.96Å; A330-I333 HydrophobicContact CB-CG1 4.16Å; A330-I333 PolarHBondContact O-N 2.98Å
331	P	60.4	Low	61.9	Low	55 Å²	55	122.6 Å²	122.6	36%	0.357	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-56.7	-28.6	-169	13.6	-24.8	0	0	0	114.1	I333	P331-I333 VanDerWaalsContact C-N 3.33Å; P331-I333 PolarHBondContact O-N 3.28Å
332	W	66.9	Low	60	Low	181 Å²	181	121.4 Å²	121.4	69%	0.686	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-78.3	-10.7	-180	49.6	59	0	0	0	114.4	A330 S334	A330-W332 HydrophobicContact CB-CZ2 4.36Å; A330-W332 PolarHBondContact O-N 2.94Å; W332-S334 PolarHBondContact O-N 3.19Å
333	I	55.9	Low	58.1	Low	116 Å²	116	119 Å²	119	60%	0.595	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-74.7	-17.2	-179.6	-57.9	176.6	0	0	0	111.4	A330 P331	A330-I333 HydrophobicContact CB-CD1 3.96Å; A330-I333 HydrophobicContact CB-CG1 4.16Å; A330-I333 PolarHBondContact O-N 2.98Å; P331-I333 VanDerWaalsContact C-N 3.33Å; P331-I333 PolarHBondContact O-N 3.28Å
334	S	54.2	Low	56.6	Low	95 Å²	95	121.4 Å²	121.4	66%	0.664	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-90.6	4.7	-177.2	-46.6	0	0	0	0	114.7	W332	W332-S334 PolarHBondContact O-N 3.19Å
335	L	57.3	Low	55.1	Low	156 Å²	156	120.7 Å²	120.7	82%	0.817	68%	0.683	S	S	*	*			trans	-98.3	20.1	-170	-99.8	143.1	0	0	0	115
336	R	47.6	Very low	53.3	Low	242 Å²	242	117.7 Å²	117.7	91%	0.913	69%	0.686	S	S	*	*	S	Bend	trans	-109.7	106.8	170.9	-158.7	175.1	-100.9	-159.7	-5.6	108.3
337	G	44.6	Very low	52	Low	69 Å²	69	120 Å²	120	71%	0.711	70%	0.7	S	S	*	*			trans	-76.8	167.4	-165.4	0	0	0	0	0	116.1
338	D	43.6	Very low	50.8	Low	167 Å²	167	119.8 Å²	119.8	89%	0.893	70%	0.697	S	S	*	*			trans	-141.1	124.1	155.8	-95.9	-26.9	0	0	0	108.2
339	D	47.5	Very low	49.9	Very low	166 Å²	166	124.9 Å²	124.9	89%	0.888	72%	0.719	S	S	*	*			trans	-78	125.9	169	-70.9	-49	0	0	0	110
340	T	48.4	Very low	49	Very low	140 Å²	140	125.2 Å²	125.2	86%	0.859	73%	0.727	S	S	*	*			trans	-154.4	124.2	151.9	45.1	0	0	0	0	105.5
341	G	46.7	Very low	48.3	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	76%	0.762	S	S	*	*				90.3	119.3	56.2	0	0	0	0	0	109.9
342	V	45.3	Very low	47.5	Very low	130 Å²	130	138.8 Å²	138.8	79%	0.788	79%	0.788	S	S	*	*			trans	91.6	100.7	139.7	-177.3	0	0	0	0	119.5
343	L	44.7	Very low	46.5	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	79%	0.792	S	S	*	*				73.2	141.1	126.8	-53.1	176.7	0	0	0	123.9
344	L	48.3	Very low	45.9	Very low	160 Å²	160	136.1 Å²	136.1	84%	0.838	80%	0.801	S	S	*	*			trans	116.4	143.3	147.5	-61.9	171.1	0	0	0	116.2
345	P	46.6	Very low	45.7	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	80%	0.798	S	S	*	*				-128.4	172.5	-77.2	26.6	-3.9	0	0	0	114.7
346	T	41.9	Very low	45.1	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	79%	0.793	S	S	*	*			trans	-54.2	-170.6	173.2	52.2	0	0	0	0	117
347	P	46	Very low	44.9	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	78%	0.782	S	S	*	*				-135.1	-178.7	-62.4	39.9	-22	0	0	0	112.1
348	G	41.8	Very low	45.2	Very low	64 Å²	64	133.9 Å²	133.9	66%	0.66	78%	0.78	S	S	*	*			trans	158.2	112.2	157.8	0	0	0	0	0	117.9
349	E	40.8	Very low	45.4	Very low	199 Å²	199	133 Å²	133	93%	0.93	78%	0.775	S	S	*	*			trans	54.8	149.7	135	-73.9	-179.3	125.7	0	0	121.3
350	A	42.5	Very low	45.6	Very low	82 Å²	82	130.8 Å²	130.8	68%	0.678	77%	0.767	S	S	*	*			cis	180	140.4	-18.9	0	0	0	0	0	105.5
351	Q	43.6	Very low	46	Very low	192 Å²	192	131.8 Å²	131.8	90%	0.897	77%	0.766	S	S	*	*			trans	163.2	102.4	149.3	-98	176.7	-7.9	0	0	108.7
352	D	42.9	Very low	46.2	Very low	169 Å²	169	133.9 Å²	133.9	90%	0.904	77%	0.767	S	S	*	*				69.5	144.6	77.7	-108.4	-14	0	0	0	116.5
353	A	45.6	Very low	46.7	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	77%	0.77	S	S	*	*			trans	91.2	94	179.8	0	0	0	0	0	115.5
354	D	44.9	Very low	47.2	Very low	148 Å²	148	132.3 Å²	132.3	79%	0.791	78%	0.775	S	S	*	*				95.5	137	61.8	-163.1	21.8	0	0	0	113.2
355	L	48.2	Very low	47.3	Very low	116 Å²	116	133.2 Å²	133.2	61%	0.607	81%	0.805	S	S	*	*			trans	92.1	107.8	150.4	-127.8	72.6	0	0	0	122.9
356	K	44.7	Very low	47.3	Very low	163 Å²	163	134.2 Å²	134.2	71%	0.709	81%	0.809	S	S	*	*			trans	66.4	148.1	133.3	-74.8	175.9	-166.1	175	0	119.1
357	D	44.5	Very low	47.6	Very low	125 Å²	125	134.3 Å²	134.3	67%	0.668	81%	0.809	S	S	*	*			cis	-164.9	141.4	7.2	-109.3	-31.3	0	0	0	108.1
358	V	51.1	Low	47.7	Very low	111 Å²	111	134.9 Å²	134.9	67%	0.673	81%	0.809	S	S	*	*				42.5	117.7	127.5	-176.7	0	0	0	0	119.5
359	N	48.4	Very low	48	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	82%	0.818	S	S	*	*				-170.4	138.9	99.2	-120.4	-24.1	0	0	0	115.1
360	V	51	Low	48.5	Very low	120 Å²	120	135.3 Å²	135.3	73%	0.727	81%	0.811	S	S	*	*			trans	-112.6	139.6	178.1	161.7	0	0	0	0	107
361	I	56.4	Low	48.9	Very low	162 Å²	162	138.9 Å²	138.9	83%	0.831	82%	0.82	S	S	*	*			trans	-135.8	120	160.4	-57.1	177.5	0	0	0	108.3
362	P	50.2	Low	49.3	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	81%	0.814	S	S	*	*			trans	-124.1	150.6	146.2	37.5	-28.3	0	0	0	110.5
363	A	55.8	Low	49.8	Very low	102 Å²	102	132.5 Å²	132.5	84%	0.843	81%	0.807	S	S	*	*			trans	-133.2	116.2	164.1	0	0	0	0	0	108.8
364	T	55.7	Low	50.1	Low	144 Å²	144	135.8 Å²	135.8	88%	0.883	81%	0.81	S	S	*	*			trans	-95.4	122.5	162.5	35.7	0	0	0	0	108.8
365	A	50.2	Low	50.6	Low	179 Å²	179	134.6 Å²	134.6	100%	1.479	81%	0.812	S	S	*	*			trans	177.9	0	144.1	0	0	0	0	0	108.7

Retrieved 365 of 365 residues in 1033.7 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).