G4VAL9_SCHMA Loading...

Ribosomal_S10 domain-containing protein

AlphaFold DB , UniProt , Accession G4VAL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 171 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	44.5	Very low	230 Å²	230	180.5 Å²	180.5	100%	1.133	84%	0.842	S	S	*	*				0	113.1	0	-86.6	174.2	81.8	0	0	108.9
2	Q	41.1	Very low	44.8	Very low	184 Å²	184	174.1 Å²	174.1	86%	0.86	82%	0.824	S	S	*	*			trans	-156.8	92	152.6	-106.8	169.4	12.9	0	0	106.9	F4	Q2-F4 PolarHBondContact O-N 3.12Å
3	L	43.4	Very low	44.9	Very low	156 Å²	156	168.9 Å²	168.9	82%	0.817	81%	0.814	S	S	*	*			trans	-71.2	107.4	177.8	-82.7	150.2	0	0	0	108.6	K5	L3-K5 PolarHBondContact O-N 2.83Å
4	F	42.1	Very low	45.1	Very low	192 Å²	192	167.9 Å²	167.9	84%	0.842	81%	0.814	S	S	*	*			trans	-68.3	96.3	168.5	-94.5	-91.6	0	0	0	109.1	Q2 F6	Q2-F4 PolarHBondContact O-N 3.12Å; F4-F6 PolarHBondContact O-N 3.27Å
5	K	40.4	Very low	45.1	Very low	187 Å²	187	168.5 Å²	168.5	81%	0.813	82%	0.815	S	S	*	*			trans	-68.2	98.3	169.6	-79.7	-175.3	174.8	-179.3	0	108.9	L3 I7	L3-K5 PolarHBondContact O-N 2.83Å; K5-I7 PolarHBondContact O-N 3.19Å
6	F	44.4	Very low	45.5	Very low	188 Å²	188	164.8 Å²	164.8	83%	0.825	80%	0.799	S	S	*	*			trans	-68.1	95	165.2	-114.5	-92.7	0	0	0	108.6	F4 L8	F4-F6 PolarHBondContact O-N 3.27Å; F6-L8 PolarHBondContact O-N 2.97Å
7	I	49.8	Very low	45.5	Very low	141 Å²	141	159.8 Å²	159.8	72%	0.723	79%	0.791	S	S	*	*			trans	-73.1	97.2	168.9	-66.2	169.5	0	0	0	106.5	K5 R9	K5-I7 PolarHBondContact O-N 3.19Å; I7-R9 HydrophobicContact CG2-CG 4.45Å; I7-R9 PolarHBondContact O-N 2.76Å
8	L	44.9	Very low	45.7	Very low	154 Å²	154	159.2 Å²	159.2	81%	0.806	78%	0.78	S	S	*	*			trans	-63.1	85.9	165.3	-76.8	158.2	0	0	0	108.5	F6 K10	F6-L8 PolarHBondContact O-N 2.97Å; L8-K10 PolarHBondContact O-N 2.76Å; L8-K10 VanDerWaalsContact O-N 3.11Å
9	R	44.8	Very low	45.8	Very low	214 Å²	214	163.1 Å²	163.1	81%	0.808	79%	0.785	S	S	*	*			trans	-67.8	105.9	161.2	-97.5	-175.3	174.5	-178.1	-1.5	107.3	I7	I7-R9 HydrophobicContact CG2-CG 4.45Å; I7-R9 PolarHBondContact O-N 2.76Å
10	K	48.1	Very low	46.1	Very low	183 Å²	183	164 Å²	164	80%	0.796	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	136.4	167	-61.8	-178.2	177.2	-177.7	0	108	L8	L8-K10 PolarHBondContact O-N 2.76Å; L8-K10 VanDerWaalsContact O-N 3.11Å
11	D	50.2	Low	46.6	Very low	157 Å²	157	165.1 Å²	165.1	84%	0.84	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.5	30.4	166.2	-45.1	-32	0	0	0	118.9
12	T	47.3	Very low	47.3	Very low	103 Å²	103	159.3 Å²	159.3	63%	0.632	76%	0.76	S	S	*	*			trans	-112.7	109.4	149.7	55.1	0	0	0	0	108	L14	T12-L14 PolarHBondContact O-N 2.83Å
13	P	46.8	Very low	48.3	Very low	107 Å²	107	157.4 Å²	157.4	70%	0.695	75%	0.746	S	S	*	*			trans	-54.6	125.2	167	24.6	-31.3	0	0	0	105.8	Q15	P13-Q15 PolarHBondContact O-N 2.93Å
14	L	46.8	Very low	49.4	Very low	155 Å²	155	153.5 Å²	153.5	81%	0.812	74%	0.743	S	S	*	*			trans	-52.3	101.1	169.3	-73.5	163.3	0	0	0	105	T12 I16	T12-L14 PolarHBondContact O-N 2.83Å; L14-I16 HydrophobicContact CB-CG1 4.24Å; L14-I16 PolarHBondContact O-N 2.63Å
15	Q	46.1	Very low	50.5	Low	177 Å²	177	150.2 Å²	150.2	83%	0.827	73%	0.733	S	S	*	*			trans	-69.2	78.2	168.2	-68.5	-167.6	8.4	0	0	104.3	P13 A17	P13-Q15 PolarHBondContact O-N 2.93Å; Q15-A17 PolarHBondContact O-N 2.77Å
16	I	50.6	Low	51.8	Low	108 Å²	108	150.8 Å²	150.8	55%	0.554	74%	0.736	S	S	*	*			trans	-61.8	93.7	160.7	-58.6	167.5	0	0	0	101.7	L14 Y18	L14-I16 HydrophobicContact CB-CG1 4.24Å; L14-I16 PolarHBondContact O-N 2.63Å; I16-Y18 HydrophobicContact CB-CD2 4.13Å; I16-Y18 HydrophobicContact CB-CE2 3.89Å; I16-Y18 HydrophobicContact CG2-CD1 4.48Å; I16-Y18 HydrophobicContact CG2-CD2 3.68Å; I16-Y18 HydrophobicContact CG2-CE1 4.23Å; I16-Y18 HydrophobicContact CG2-CE2 3.39Å; I16-Y18 HydrophobicContact CG2-CG 4.23Å; I16-Y18 WeakPolarHBondContact O-CD2 3.29Å; I16-Y18 PolarHBondContact O-N 2.95Å
17	A	46.5	Very low	52.8	Low	81 Å²	81	149.4 Å²	149.4	67%	0.669	74%	0.736	S	S	*	*			trans	-67.1	76.9	175.6	0	0	0	0	0	105.9	Q15 R19	Q15-A17 PolarHBondContact O-N 2.77Å; A17-R19 PolarHBondContact O-N 3.11Å
18	Y	49.2	Very low	53.8	Low	149 Å²	149	152.3 Å²	152.3	58%	0.584	74%	0.743	S	S	*	*			trans	-62	89.5	156	-67	-79.5	0	0	0	104.8	I16 Y20	I16-Y18 HydrophobicContact CB-CD2 4.13Å; I16-Y18 HydrophobicContact CB-CE2 3.89Å; I16-Y18 HydrophobicContact CG2-CD1 4.48Å; I16-Y18 HydrophobicContact CG2-CD2 3.68Å; I16-Y18 HydrophobicContact CG2-CE1 4.23Å; I16-Y18 HydrophobicContact CG2-CE2 3.39Å; I16-Y18 HydrophobicContact CG2-CG 4.23Å; I16-Y18 WeakPolarHBondContact O-CD2 3.29Å; I16-Y18 PolarHBondContact O-N 2.95Å; Y18-Y20 AromaticContact CD1-CE2 3.71Å; Y18-Y20 HydrophobicContact CD1-CE2 3.71Å; Y18-Y20 AromaticContact CD1-CZ 3.71Å; Y18-Y20 HydrophobicContact CD2-CE2 4.3Å; Y18-Y20 HydrophobicContact CG-CD2 4.17Å; Y18-Y20 AromaticContact CG-CE2 3.53Å; Y18-Y20 HydrophobicContact CG-CE2 3.53Å; Y18-Y20 PolarHBondContact O-N 3.09Å
19	R	47.6	Very low	55.2	Low	233 Å²	233	148.7 Å²	148.7	88%	0.879	73%	0.731	S	S	*	*			trans	-64.8	68.3	153.7	-72.3	-175.7	173.1	-178.3	-1.6	106.1	A17 R21	A17-R19 PolarHBondContact O-N 3.11Å; R19-R21 PolarHBondContact O-N 3.02Å
20	Y	51.7	Low	57	Low	181 Å²	181	148.5 Å²	148.5	71%	0.71	74%	0.736	S	S	*	*			trans	-62.1	97	154.3	-71.6	-66.7	0	0	0	103.6	Y18 S22	Y18-Y20 AromaticContact CD1-CE2 3.71Å; Y18-Y20 HydrophobicContact CD1-CE2 3.71Å; Y18-Y20 AromaticContact CD1-CZ 3.71Å; Y18-Y20 HydrophobicContact CD2-CE2 4.3Å; Y18-Y20 HydrophobicContact CG-CD2 4.17Å; Y18-Y20 AromaticContact CG-CE2 3.53Å; Y18-Y20 HydrophobicContact CG-CE2 3.53Å; Y18-Y20 PolarHBondContact O-N 3.09Å; Y20-S22 PolarHBondContact O-N 3.32Å
21	R	55.5	Low	58.9	Low	187 Å²	187	144.4 Å²	144.4	71%	0.706	72%	0.723	S	S	*	*			trans	-56.4	91	151.5	-78.6	-175.4	171.4	-161.7	-2	103.9	R19 Y23	R19-R21 PolarHBondContact O-N 3.02Å; R21-Y23 HydrophobicContact CB-CD2 4.09Å; R21-Y23 HydrophobicContact CB-CE2 3.72Å; R21-Y23 VanDerWaalsContact CD-OH 3.29Å; R21-Y23 WeakPolarHBondContact CD-OH 3.38Å; R21-Y23 PolarHBondContact NH1-OH 3.01Å; R21-Y23 VanDerWaalsContact NH1-OH 3.12Å; R21-Y23 WeakPolarHBondContact O-CD2 3.35Å; R21-Y23 PolarHBondContact O-N 3.45Å
22	S	56.3	Low	60.6	Low	109 Å²	109	139.1 Å²	139.1	76%	0.762	70%	0.697	S	S	*	*			trans	-64.7	81.7	161.5	178.7	0	0	0	0	104.5	Y20 G24	Y20-S22 PolarHBondContact O-N 3.32Å; S22-G24 PolarHBondContact O-N 3.24Å
23	Y	62.7	Low	62.3	Low	144 Å²	144	139.3 Å²	139.3	57%	0.565	70%	0.7	S	S	*	*			trans	-54.6	121.9	152.7	-61.9	-76.3	0	0	0	103	R21 I25	R21-Y23 HydrophobicContact CB-CD2 4.09Å; R21-Y23 HydrophobicContact CB-CE2 3.72Å; R21-Y23 VanDerWaalsContact CD-OH 3.29Å; R21-Y23 WeakPolarHBondContact CD-OH 3.38Å; R21-Y23 PolarHBondContact NH1-OH 3.01Å; R21-Y23 VanDerWaalsContact NH1-OH 3.12Å; R21-Y23 WeakPolarHBondContact O-CD2 3.35Å; R21-Y23 PolarHBondContact O-N 3.45Å; Y23-I25 PolarHBondContact O-N 2.76Å
24	G	64.7	Low	64.1	Low	74 Å²	74	142 Å²	142	76%	0.763	70%	0.698	S	S	*	*			trans	-65.3	53.4	179.4	0	0	0	0	0	112.1	S22 K26	S22-G24 PolarHBondContact O-N 3.24Å; G24-K26 VanDerWaalsContact C-N 3.3Å; G24-K26 PolarHBondContact O-N 3.38Å
25	I	65.4	Low	65.9	Low	123 Å²	123	139.9 Å²	139.9	63%	0.631	69%	0.687	S	S	*	*			trans	-71	92.8	174.4	-59.1	165.9	0	0	0	104.1	Y23 L27	Y23-I25 PolarHBondContact O-N 2.76Å; I25-L27 VanDerWaalsContact C-N 3.28Å; I25-L27 HydrophobicContact CG2-CD2 4.29Å; I25-L27 PolarHBondContact O-N 2.76Å
26	K	69.3	Low	67.7	Low	199 Å²	199	136 Å²	136	87%	0.865	68%	0.679	S	S	*	*			trans	-62.1	101.1	161.1	-64.4	-176.5	-178	-178.5	0	105	G24 K28	G24-K26 VanDerWaalsContact C-N 3.3Å; G24-K26 PolarHBondContact O-N 3.38Å; K26-K28 VanDerWaalsContact C-N 3.31Å; K26-K28 PolarHBondContact O-N 2.69Å
27	L	65.5	Low	69.5	Low	158 Å²	158	135.6 Å²	135.6	83%	0.827	68%	0.681	S	S	*	*			trans	-55.5	105.2	168.5	-70	172.6	0	0	0	105.6	I25 S29	I25-L27 VanDerWaalsContact C-N 3.28Å; I25-L27 HydrophobicContact CG2-CD2 4.29Å; I25-L27 PolarHBondContact O-N 2.76Å; L27-S29 PolarHBondContact O-N 2.71Å; L27-S29 VanDerWaalsContact O-N 3.11Å
28	K	70.5	Confident	71.4	Confident	203 Å²	203	140.2 Å²	140.2	88%	0.883	69%	0.686	S	S	*	*			trans	-59.4	120.3	168.2	-147.7	176.4	-176.4	-175.3	0	103.6	K26 F30	K26-K28 VanDerWaalsContact C-N 3.31Å; K26-K28 PolarHBondContact O-N 2.69Å; K28-F30 PolarHBondContact O-N 3.26Å; K28-F30 VanDerWaalsContact O-N 3.09Å
29	S	74.2	Confident	73.1	Confident	77 Å²	77	137.6 Å²	137.6	54%	0.538	69%	0.687	S	S	.	*			trans	-37.5	122.2	171.3	168.5	0	0	0	0	108.4	L27 D31	L27-S29 PolarHBondContact O-N 2.71Å; L27-S29 VanDerWaalsContact O-N 3.11Å; S29-D31 PolarHBondContact O-N 2.72Å; S29-D31 PolarHBondContact OG-N 3.29Å; S29-D31 PolarHBondContact OG-O 3.27Å
30	F	82.8	Confident	75.1	Confident	210 Å²	210	132.5 Å²	132.5	92%	0.921	69%	0.685	S	S	*	*	S	Bend	trans	-63.6	-25	178.5	-162.2	-97.5	0	0	0	110.4	K28	K28-F30 PolarHBondContact O-N 3.26Å; K28-F30 VanDerWaalsContact O-N 3.09Å
31	D	87.1	Confident	77	Confident	97 Å²	97	129.3 Å²	129.3	52%	0.519	68%	0.678	S	S	.	*	S	Bend	trans	-70.9	138.3	174.7	-63.4	-28.7	0	0	0	111.7	S29 L35	S29-D31 PolarHBondContact O-N 2.72Å; S29-D31 PolarHBondContact OG-N 3.29Å; S29-D31 PolarHBondContact OG-O 3.27Å; D31-L35 HydrophobicContact CB-CB 4.47Å; D31-L35 HydrophobicContact CB-CD1 4.05Å
32	P	86.9	Confident	78.8	Confident	47 Å²	47	127.7 Å²	127.7	31%	0.305	68%	0.678	S	S	.	*			trans	-57.7	147.2	173.3	23	-34.1	0	0	0	111.6	Y34 L35	P32-Y34 HydrophobicContact CB-CD1 3.79Å; P32-Y34 HydrophobicContact CB-CE1 3.33Å; P32-Y34 HydrophobicContact CB-CE2 4.43Å; P32-Y34 HydrophobicContact CG-CD1 4.33Å; P32-Y34 HydrophobicContact CG-CE1 3.63Å; P32-Y34 HydrophobicContact CG-CE2 3.92Å; P32-Y34 WeakPolarHBondContact CG-OH 3.49Å; P32-Y34 PolarHBondContact O-N 2.89Å; P32-L35 HydrophobicContact CG-CD1 3.79Å; P32-L35 HydrophobicContact CG-CG 4.03Å; P32-L35 PolarHBondContact O-N 3.06Å
33	P	82.1	Confident	80.6	Confident	106 Å²	106	126.6 Å²	126.6	69%	0.688	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-62.7	-20.9	-168.9	25.7	-35.6	0	0	0	113.8	L35 S36	P33-L35 VanDerWaalsContact C-N 3.33Å; P33-S36 PolarHBondContact O-OG 3.05Å
34	Y	84.7	Confident	82.1	Confident	164 Å²	164	124.8 Å²	124.8	64%	0.643	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-73.5	-22	178	60	-103.3	0	0	0	113.3	P32 S36 V37	P32-Y34 HydrophobicContact CB-CD1 3.79Å; P32-Y34 HydrophobicContact CB-CE1 3.33Å; P32-Y34 HydrophobicContact CB-CE2 4.43Å; P32-Y34 HydrophobicContact CG-CD1 4.33Å; P32-Y34 HydrophobicContact CG-CE1 3.63Å; P32-Y34 HydrophobicContact CG-CE2 3.92Å; P32-Y34 WeakPolarHBondContact CG-OH 3.49Å; P32-Y34 PolarHBondContact O-N 2.89Å; Y34-S36 VanDerWaalsContact C-N 3.28Å; Y34-S36 PolarHBondContact O-N 3.02Å; Y34-V37 WeakPolarHBondContact O-CB 3.45Å; Y34-V37 PolarHBondContact O-N 3.48Å
35	L	84.4	Confident	83.4	Confident	111 Å²	111	129.6 Å²	129.6	58%	0.581	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-71.6	-24.3	177.7	-71.5	177.8	0	0	0	112.6	D31 P32 P33	D31-L35 HydrophobicContact CB-CB 4.47Å; D31-L35 HydrophobicContact CB-CD1 4.05Å; P32-L35 HydrophobicContact CG-CD1 3.79Å; P32-L35 HydrophobicContact CG-CG 4.03Å; P32-L35 PolarHBondContact O-N 3.06Å; P33-L35 VanDerWaalsContact C-N 3.33Å
36	S	84.7	Confident	84.7	Confident	94 Å²	94	125.8 Å²	125.8	66%	0.657	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-87.9	-7.8	176	61.6	0	0	0	0	113.4	P33 Y34 K38	P33-S36 PolarHBondContact O-OG 3.05Å; Y34-S36 VanDerWaalsContact C-N 3.28Å; Y34-S36 PolarHBondContact O-N 3.02Å; S36-K38 PolarHBondContact O-N 3.05Å
37	V	87.9	Confident	85.9	Confident	101 Å²	101	116.6 Å²	116.6	61%	0.612	61%	0.607	S	S	*	*	S	Bend	trans	-71.2	116.1	174.5	179.6	0	0	0	0	108.4	Y34	Y34-V37 WeakPolarHBondContact O-CB 3.45Å; Y34-V37 PolarHBondContact O-N 3.48Å
38	K	86.2	Confident	87.3	Confident	177 Å²	177	109.8 Å²	109.8	77%	0.77	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-67.9	134.9	172.9	-67.2	-180	-179.1	177.1	0	109	S36	S36-K38 PolarHBondContact O-N 3.05Å
39	P	86.1	Confident	88.6	Confident	94 Å²	94	100.3 Å²	100.3	61%	0.61	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-61.5	148.5	176.4	26.2	-34	0	0	0	110.6	M41	P39-M41 PolarHBondContact O-N 3Å
40	P	89.4	Confident	89.6	Confident	127 Å²	127	97.1 Å²	97.1	83%	0.825	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-61.4	125.6	173.9	26.6	-33.1	0	0	0	109.4
41	M	89.8	Confident	90.3	Very high	114 Å²	114	87.2 Å²	87.2	56%	0.562	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-91.7	131.7	176.9	-66.1	-178.8	179.6	0	0	109.6	P39 V120	P39-M41 PolarHBondContact O-N 3Å; M41-V120 HydrophobicContact SD-CG2 4.31Å
42	H	93.7	Very high	90.8	Very high	153 Å²	153	87 Å²	87	71%	0.708	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-66	136.7	173.2	-63.7	-80.7	0	0	0	110.7	A119	H42-A119 HydrophobicContact CB-CB 4.02Å; H42-A119 VanDerWaalsContact O-CB 3.32Å; H42-A119 WeakPolarHBondContact O-CB 3.32Å; H42-A119 PolarHBondContact O-N 2.86Å
43	V	94.1	Very high	91.3	Very high	85 Å²	85	85 Å²	85	52%	0.515	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.6	175.3	-176.7	0	0	0	0	107.7	Q45 K118	V43-Q45 PolarHBondContact O-N 3.11Å; V43-K118 HydrophobicContact CG2-CG 4.41Å
44	Y	93.8	Very high	92	Very high	107 Å²	107	84.3 Å²	84.3	42%	0.42	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123	173.7	-65.4	-74.8	0	0	0	109	V47 G116 V117 A119 L122	Y44-V47 HydrophobicContact CG-CG2 4.09Å; Y44-G116 PolarHBondContact O-N 2.91Å; Y44-V117 PolarHBondContact N-O 3.48Å; Y44-V117 PolarHBondContact O-N 3.27Å; Y44-A119 HydrophobicContact CE2-CB 3.98Å; Y44-L122 HydrophobicContact CD2-CD2 4.01Å; Y44-L122 HydrophobicContact CE2-CB 4.31Å; Y44-L122 HydrophobicContact CE2-CD2 3.56Å
45	Q	92.6	Very high	92.5	Very high	175 Å²	175	79.9 Å²	79.9	82%	0.818	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-45.8	179.1	-176.8	176.4	-4.1	0	0	111	V43 S115 G116	V43-Q45 PolarHBondContact O-N 3.11Å; Q45-S115 VanDerWaalsContact O-CA 3.24Å; Q45-S115 WeakPolarHBondContact O-CA 3.24Å; Q45-S115 WeakPolarHBondContact O-CB 3.25Å; Q45-G116 PolarHBondContact O-N 3.42Å
46	S	92.5	Very high	93.1	Very high	42 Å²	42	79.8 Å²	79.8	29%	0.294	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.8	176	66.1	0	0	0	0	111.1	I114 T144	S46-I114 CarbonylContact C-O 3.55Å; S46-I114 WeakPolarHBondContact CA-O 3.32Å; S46-T144 WeakPolarHBondContact CB-OG1 3.28Å; S46-T144 WeakPolarHBondContact OG-CB 3.39Å; S46-T144 PolarHBondContact OG-OG1 3.08Å
47	V	95	Very high	93.6	Very high	7 Å²	7	79 Å²	79	4%	0.042	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.7	175.7	-178.5	0	0	0	0	107.9	Y44 F49 R113 I114 V117 L122 I141	Y44-V47 HydrophobicContact CG-CG2 4.09Å; V47-F49 HydrophobicContact CB-CE2 4.36Å; V47-F49 HydrophobicContact CG1-CD2 4.29Å; V47-F49 HydrophobicContact CG1-CE2 3.7Å; V47-F49 HydrophobicContact CG1-CZ 4.13Å; V47-R113 WeakPolarHBondContact O-CA 3.32Å; V47-I114 PolarHBondContact N-O 3.47Å; V47-I114 PolarHBondContact O-N 3.33Å; V47-V117 HydrophobicContact CG2-CB 4.41Å; V47-V117 HydrophobicContact CG2-CG2 4.4Å; V47-L122 HydrophobicContact CG1-CD1 4.21Å; V47-I141 HydrophobicContact CG1-CG2 3.77Å
48	Q	95.7	Very high	94	Very high	14 Å²	14	77.2 Å²	77.2	7%	0.065	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.8	179	-173.6	177.4	-60.8	0	0	110.5	I111 Y112 R113 I141 G142	Q48-I111 HydrophobicContact CG-CG2 3.7Å; Q48-Y112 CarbonylContact C-O 3.54Å; Q48-Y112 WeakPolarHBondContact CA-O 3.44Å; Q48-R113 HydrophobicContact CB-CG 4.32Å; Q48-R113 HydrophobicContact CG-CG 4.05Å; Q48-I141 WeakPolarHBondContact O-CA 3.15Å; Q48-G142 PolarHBondContact N-O 2.87Å; Q48-G142 PolarHBondContact O-N 2.81Å
49	F	96.5	Very high	94.5	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.1	171.8	-62.8	-102.2	0	0	0	108.5	V47 F70 I111 Y112 I114 L122 L126 I129 I139 I141	V47-F49 HydrophobicContact CB-CE2 4.36Å; V47-F49 HydrophobicContact CG1-CD2 4.29Å; V47-F49 HydrophobicContact CG1-CE2 3.7Å; V47-F49 HydrophobicContact CG1-CZ 4.13Å; F49-F70 HydrophobicContact CD1-CZ 4.47Å; F49-F70 HydrophobicContact CD2-CE2 4.43Å; F49-F70 HydrophobicContact CD2-CZ 4.15Å; F49-F70 HydrophobicContact CE1-CZ 4.08Å; F49-F70 HydrophobicContact CE2-CE1 4.43Å; F49-F70 HydrophobicContact CE2-CE2 4.43Å; F49-F70 AromaticContact CE2-CZ 3.76Å; F49-F70 HydrophobicContact CE2-CZ 3.76Å; F49-F70 HydrophobicContact CZ-CE1 4.29Å; F49-F70 AromaticContact CZ-CZ 3.72Å; F49-F70 HydrophobicContact CZ-CZ 3.72Å; F49-I111 WeakPolarHBondContact O-CA 3.44Å; F49-Y112 PolarHBondContact N-O 3.36Å; F49-Y112 PolarHBondContact O-N 3.5Å; F49-I114 HydrophobicContact CD2-CD1 4.31Å; F49-I114 HydrophobicContact CE2-CD1 3.83Å; F49-I114 HydrophobicContact CE2-CG1 4.43Å; F49-L122 HydrophobicContact CZ-CD1 4.48Å; F49-L126 HydrophobicContact CE1-CD2 3.51Å; F49-L126 HydrophobicContact CZ-CD2 4.07Å; F49-I129 HydrophobicContact CE1-CD1 3.95Å; F49-I129 HydrophobicContact CZ-CD1 4.48Å; F49-I139 HydrophobicContact CD1-CG2 4.28Å; F49-I141 HydrophobicContact CD1-CD1 4.41Å; F49-I141 HydrophobicContact CD1-CG1 3.59Å; F49-I141 HydrophobicContact CE1-CD1 4.32Å; F49-I141 HydrophobicContact CE1-CG1 3.77Å; F49-I141 HydrophobicContact CG-CG1 4.38Å
50	D	96.3	Very high	95	Very high	10 Å²	10	66.3 Å²	66.3	5%	0.053	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.5	172.4	176.7	18.8	0	0	0	109	R52 R109 I139 H140	D50-R52 WeakPolarHBondContact OD1-CG 3.15Å; D50-R109 IonicContact OD1-CZ 2.75Å; D50-R109 IonicContact OD1-NE 2.75Å; D50-R109 PolarHBondContact OD1-NE 3.39Å; D50-R109 IonicContact OD1-NH2 3.19Å; D50-R109 IonicContact OD2-CZ 2.88Å; D50-R109 IonicContact OD2-NE 2.75Å; D50-R109 PolarHBondContact OD2-NE 2.87Å; D50-R109 IonicContact OD2-NH2 3.31Å; D50-R109 PolarHBondContact OD2-NH2 3.27Å; D50-I139 CarbonylContact O-C 3.56Å; D50-I139 WeakPolarHBondContact O-CA 3.37Å; D50-H140 HydrophobicContact CB-CB 4.31Å; D50-H140 PolarHBondContact N-O 3.3Å; D50-H140 PolarHBondContact O-N 3.39Å
51	I	97.3	Very high	95.4	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.4	-178.6	-52.1	178.6	0	0	0	107.9	L59 F62 T63 V66 R109 R110 Y112 I137 I139	I51-L59 HydrophobicContact CB-CD1 4.31Å; I51-L59 HydrophobicContact CG2-CD1 3.51Å; I51-F62 HydrophobicContact CD1-CD1 4.38Å; I51-F62 HydrophobicContact CD1-CE1 4.1Å; I51-F62 HydrophobicContact CG2-CD1 3.81Å; I51-F62 HydrophobicContact CG2-CE1 3.96Å; I51-T63 HydrophobicContact CB-CG2 4.29Å; I51-T63 HydrophobicContact CD1-CG2 4.01Å; I51-T63 HydrophobicContact CG2-CG2 4.03Å; I51-V66 HydrophobicContact CD1-CB 4.37Å; I51-V66 HydrophobicContact CD1-CG1 4.18Å; I51-V66 HydrophobicContact CD1-CG2 4.17Å; I51-R109 CarbonylContact O-C 3.57Å; I51-R109 WeakPolarHBondContact O-CA 3.45Å; I51-R110 PolarHBondContact N-O 3.4Å; I51-R110 PolarHBondContact O-N 2.79Å; I51-Y112 HydrophobicContact CD1-CD2 3.71Å; I51-Y112 HydrophobicContact CD1-CE2 3.93Å; I51-Y112 HydrophobicContact CG1-CD2 4.42Å; I51-I137 HydrophobicContact CG2-CG2 3.46Å; I51-I137 VanDerWaalsContact CG2-CG2 3.46Å; I51-I139 HydrophobicContact CG1-CG1 4.33Å; I51-I139 HydrophobicContact CG2-CG1 4.44Å
52	R	97	Very high	95.7	Very high	92 Å²	92	64.3 Å²	64.3	35%	0.347	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.2	-174.5	-51	-173.3	-74.8	176.2	-7.9	110.7	D50 F108 R109 I137 K138	D50-R52 WeakPolarHBondContact OD1-CG 3.15Å; R52-F108 WeakPolarHBondContact CA-O 3.31Å; R52-R109 HydrophobicContact CB-CG 4.44Å; R52-R109 HydrophobicContact CG-CB 4.48Å; R52-R109 HydrophobicContact CG-CG 3.9Å; R52-I137 CarbonylContact O-C 3.51Å; R52-I137 WeakPolarHBondContact O-CA 3.47Å; R52-K138 PolarHBondContact N-O 3.25Å; R52-K138 PolarHBondContact O-N 2.89Å
53	G	97.3	Very high	95.9	Very high	5 Å²	5	57.1 Å²	57.1	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	152.7	177.7	0	0	0	0	0	112.3	F108	G53-F108 PolarHBondContact N-O 2.71Å; G53-F108 PolarHBondContact O-N 3.43Å
54	H	96.5	Very high	95.9	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.426	26%	0.262	S	S	.	.	S	Bend	trans	-88.1	-32.6	174.5	-63	-66.2	0	0	0	112.3	I105 S106 E107 F108	H54-I105 VanDerWaalsContact ND1-CG2 3.3Å; H54-I105 WeakPolarHBondContact ND1-CG2 3.36Å; H54-S106 PolarHBondContact ND1-O 2.85Å; H54-S106 VanDerWaalsContact ND1-O 3.14Å; H54-E107 WeakPolarHBondContact CE1-CG 3.48Å; H54-E107 IonicContact CE1-OE1 3.86Å; H54-E107 WeakPolarHBondContact ND1-CG 3.38Å; H54-F108 WeakPolarHBondContact O-CE2 3.48Å
55	D	96.3	Very high	96.1	Very high	71 Å²	71	54.7 Å²	54.7	38%	0.38	26%	0.257	S	S	.	.			trans	-90.6	113.5	173.1	-175.9	-12.7	0	0	0	109.8	V57 Q58 L59	D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.07Å; D55-V57 PolarHBondContact OD1-N 3.28Å; D55-Q58 HydrophobicContact CB-CB 4.18Å; D55-Q58 HydrophobicContact CB-CG 4.22Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.4Å; D55-Q58 PolarHBondContact OD2-NE2 2.83Å; D55-L59 WeakPolarHBondContact O-CB 3.36Å; D55-L59 PolarHBondContact O-N 2.96Å; D55-L59 VanDerWaalsContact O-N 3.08Å
56	Y	96.2	Very high	96.3	Very high	110 Å²	110	46.4 Å²	46.4	43%	0.431	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-41.6	179.5	179.9	-104.1	0	0	0	112.4	Q58 L59 E60 F108	Y56-Q58 PolarHBondContact O-N 2.81Å; Y56-L59 PolarHBondContact O-N 2.98Å; Y56-E60 HydrophobicContact CD1-CG 4.12Å; Y56-E60 HydrophobicContact CD2-CG 4.18Å; Y56-E60 HydrophobicContact CE1-CG 3.64Å; Y56-E60 HydrophobicContact CE2-CG 3.7Å; Y56-E60 WeakPolarHBondContact CE2-OE1 3.44Å; Y56-E60 HydrophobicContact CG-CG 4.37Å; Y56-E60 VanDerWaalsContact CZ-CG 3.4Å; Y56-E60 WeakPolarHBondContact O-CG 3.33Å; Y56-E60 PolarHBondContact O-N 2.9Å; Y56-F108 AromaticContact CD2-CD1 3.87Å; Y56-F108 HydrophobicContact CD2-CD1 3.87Å; Y56-F108 HydrophobicContact CD2-CE1 4.16Å; Y56-F108 HydrophobicContact CD2-CG 4.1Å
57	V	95.9	Very high	96.5	Very high	77 Å²	77	47.2 Å²	47.2	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-68.3	-41	-174.5	179.6	0	0	0	0	110.7	D55 R61	D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.07Å; D55-V57 PolarHBondContact OD1-N 3.28Å; V57-R61 VanDerWaalsContact O-CG 3.29Å; V57-R61 WeakPolarHBondContact O-CG 3.45Å; V57-R61 PolarHBondContact O-N 3.23Å; V57-R61 VanDerWaalsContact O-N 3.13Å
58	Q	96.4	Very high	96.6	Very high	64 Å²	64	53.5 Å²	53.5	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-42.4	175.7	-68.6	179.2	37.1	0	0	111.2	D55 Y56 R61 F62 S135	D55-Q58 HydrophobicContact CB-CB 4.18Å; D55-Q58 HydrophobicContact CB-CG 4.22Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.4Å; D55-Q58 PolarHBondContact OD2-NE2 2.83Å; Y56-Q58 PolarHBondContact O-N 2.81Å; Q58-R61 PolarHBondContact O-N 3.47Å; Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 2.96Å; Q58-S135 PolarHBondContact OE1-O 2.66Å; Q58-S135 PolarHBondContact OE1-OG 3.32Å
59	L	97.2	Very high	96.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-49	176.8	-176.1	67.5	0	0	0	111.8	I51 D55 Y56 R61 F62 T63 F108 R110 I137	I51-L59 HydrophobicContact CB-CD1 4.31Å; I51-L59 HydrophobicContact CG2-CD1 3.51Å; D55-L59 WeakPolarHBondContact O-CB 3.36Å; D55-L59 PolarHBondContact O-N 2.96Å; D55-L59 VanDerWaalsContact O-N 3.08Å; Y56-L59 PolarHBondContact O-N 2.98Å; L59-R61 VanDerWaalsContact C-N 3.35Å; L59-R61 PolarHBondContact O-N 3.19Å; L59-F62 PolarHBondContact O-N 3.3Å; L59-T63 HydrophobicContact CD1-CG2 3.94Å; L59-T63 HydrophobicContact CG-CG2 4.13Å; L59-T63 VanDerWaalsContact O-CB 3.3Å; L59-T63 WeakPolarHBondContact O-CB 3.33Å; L59-T63 WeakPolarHBondContact O-CG2 3.48Å; L59-T63 PolarHBondContact O-N 3.18Å; L59-T63 PolarHBondContact O-OG1 2.88Å; L59-F108 HydrophobicContact CD2-CB 3.39Å; L59-R110 HydrophobicContact CD2-CG 4.1Å; L59-R110 HydrophobicContact CG-CG 4.23Å; L59-I137 HydrophobicContact CD1-CG2 4.48Å
60	E	96.6	Very high	96.6	Very high	42 Å²	42	54.1 Å²	54.1	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-38.6	-179.9	-70.3	-52.6	126.3	0	0	112.9	Y56 T63 S64 R110	Y56-E60 HydrophobicContact CD1-CG 4.12Å; Y56-E60 HydrophobicContact CD2-CG 4.18Å; Y56-E60 HydrophobicContact CE1-CG 3.64Å; Y56-E60 HydrophobicContact CE2-CG 3.7Å; Y56-E60 WeakPolarHBondContact CE2-OE1 3.44Å; Y56-E60 HydrophobicContact CG-CG 4.37Å; Y56-E60 VanDerWaalsContact CZ-CG 3.4Å; Y56-E60 WeakPolarHBondContact O-CG 3.33Å; Y56-E60 PolarHBondContact O-N 2.9Å; E60-T63 VanDerWaalsContact CA-OG1 3.25Å; E60-T63 WeakPolarHBondContact CA-OG1 3.45Å; E60-T63 PolarHBondContact O-OG1 2.75Å; E60-S64 VanDerWaalsContact O-CB 3.28Å; E60-S64 WeakPolarHBondContact O-CB 3.12Å; E60-S64 PolarHBondContact O-N 3.19Å; E60-S64 PolarHBondContact O-OG 3.14Å; E60-R110 IonicContact OE1-CZ 3.45Å; E60-R110 IonicContact OE1-NE 3.27Å; E60-R110 PolarHBondContact OE1-NE 2.84Å; E60-R110 IonicContact OE1-NH2 2.71Å; E60-R110 PolarHBondContact OE1-NH2 3.44Å; E60-R110 IonicContact OE2-CZ 3.88Å; E60-R110 IonicContact OE2-NE 3.4Å; E60-R110 IonicContact OE2-NH2 3.61Å; E60-R110 PolarHBondContact OE2-NH2 3.11Å
61	R	96.6	Very high	96.6	Very high	188 Å²	188	57.8 Å²	57.8	71%	0.709	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-46.4	175.6	-74.4	176.6	-179.3	-168.8	2	111.5	V57 Q58 L59 Y65	V57-R61 VanDerWaalsContact O-CG 3.29Å; V57-R61 WeakPolarHBondContact O-CG 3.45Å; V57-R61 PolarHBondContact O-N 3.23Å; V57-R61 VanDerWaalsContact O-N 3.13Å; Q58-R61 PolarHBondContact O-N 3.47Å; L59-R61 VanDerWaalsContact C-N 3.35Å; L59-R61 PolarHBondContact O-N 3.19Å; R61-Y65 PolarHBondContact O-N 2.96Å; R61-Y65 VanDerWaalsContact O-N 3.14Å
62	F	97.1	Very high	96.5	Very high	10 Å²	10	64.2 Å²	64.2	4%	0.044	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-42.8	-179.4	-179.9	-106.7	0	0	0	112.2	I51 Q58 L59 S64 Y65 V66 I129 N132 L133 I137 I139	I51-F62 HydrophobicContact CD1-CD1 4.38Å; I51-F62 HydrophobicContact CD1-CE1 4.1Å; I51-F62 HydrophobicContact CG2-CD1 3.81Å; I51-F62 HydrophobicContact CG2-CE1 3.96Å; Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 2.96Å; L59-F62 PolarHBondContact O-N 3.3Å; F62-S64 VanDerWaalsContact C-N 3.33Å; F62-S64 PolarHBondContact O-N 2.75Å; F62-Y65 HydrophobicContact CD2-CD1 4.33Å; F62-Y65 HydrophobicContact CE2-CD1 4.18Å; F62-Y65 WeakPolarHBondContact O-CA 3.5Å; F62-Y65 VanDerWaalsContact O-CB 3.31Å; F62-Y65 WeakPolarHBondContact O-CB 3.38Å; F62-Y65 PolarHBondContact O-N 3.26Å; F62-Y65 VanDerWaalsContact O-N 3.07Å; F62-V66 HydrophobicContact CD1-CG2 4.11Å; F62-V66 HydrophobicContact CE1-CG2 3.62Å; F62-V66 HydrophobicContact CE2-CG2 4.12Å; F62-V66 HydrophobicContact CZ-CG2 3.63Å; F62-V66 WeakPolarHBondContact O-CG2 3.43Å; F62-V66 PolarHBondContact O-N 3.19Å; F62-I129 HydrophobicContact CZ-CG2 4.04Å; F62-N132 VanDerWaalsContact CE2-O 3.3Å; F62-N132 WeakPolarHBondContact CE2-O 3.5Å; F62-L133 HydrophobicContact CE1-CD1 4.07Å; F62-L133 HydrophobicContact CE2-CD1 4.38Å; F62-L133 HydrophobicContact CZ-CD1 3.81Å; F62-I137 HydrophobicContact CB-CD1 3.34Å; F62-I137 HydrophobicContact CD1-CD1 3.82Å; F62-I137 HydrophobicContact CD1-CG2 3.95Å; F62-I137 HydrophobicContact CE1-CG2 4.17Å; F62-I137 HydrophobicContact CG-CD1 3.66Å; F62-I139 HydrophobicContact CE1-CD1 3.68Å; F62-I139 HydrophobicContact CE1-CG1 4.28Å; F62-I139 HydrophobicContact CZ-CD1 3.74Å
63	T	96.4	Very high	96.4	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-37.2	178.4	54.8	0	0	0	0	111.4	I51 L59 E60 Y65 V66 H67 R110 Y112	I51-T63 HydrophobicContact CB-CG2 4.29Å; I51-T63 HydrophobicContact CD1-CG2 4.01Å; I51-T63 HydrophobicContact CG2-CG2 4.03Å; L59-T63 HydrophobicContact CD1-CG2 3.94Å; L59-T63 HydrophobicContact CG-CG2 4.13Å; L59-T63 VanDerWaalsContact O-CB 3.3Å; L59-T63 WeakPolarHBondContact O-CB 3.33Å; L59-T63 WeakPolarHBondContact O-CG2 3.48Å; L59-T63 PolarHBondContact O-N 3.18Å; L59-T63 PolarHBondContact O-OG1 2.88Å; E60-T63 VanDerWaalsContact CA-OG1 3.25Å; E60-T63 WeakPolarHBondContact CA-OG1 3.45Å; E60-T63 PolarHBondContact O-OG1 2.75Å; T63-Y65 VanDerWaalsContact C-N 3.32Å; T63-Y65 PolarHBondContact O-N 3.43Å; T63-V66 PolarHBondContact O-N 3.23Å; T63-H67 WeakPolarHBondContact O-CB 3.44Å; T63-H67 PolarHBondContact O-N 3.49Å; T63-R110 HydrophobicContact CG2-CB 3.66Å; T63-R110 HydrophobicContact CG2-CG 3.72Å; T63-Y112 WeakPolarHBondContact CB-OH 3.38Å; T63-Y112 HydrophobicContact CG2-CE2 3.98Å; T63-Y112 PolarHBondContact O-OH 2.81Å
64	S	96	Very high	96.3	Very high	59 Å²	59	65.6 Å²	65.6	41%	0.413	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-38.6	169.3	-64.3	0	0	0	0	113.2	E60 F62 K68	E60-S64 VanDerWaalsContact O-CB 3.28Å; E60-S64 WeakPolarHBondContact O-CB 3.12Å; E60-S64 PolarHBondContact O-N 3.19Å; E60-S64 PolarHBondContact O-OG 3.14Å; F62-S64 VanDerWaalsContact C-N 3.33Å; F62-S64 PolarHBondContact O-N 2.75Å; S64-K68 WeakPolarHBondContact O-CG 3.38Å; S64-K68 PolarHBondContact O-N 2.93Å
65	Y	96.4	Very high	96.3	Very high	83 Å²	83	63.2 Å²	63.2	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-49.2	173.6	162.3	-95.6	0	0	0	111.3	R61 F62 T63 H67 K68 F69 N132	R61-Y65 PolarHBondContact O-N 2.96Å; R61-Y65 VanDerWaalsContact O-N 3.14Å; F62-Y65 HydrophobicContact CD2-CD1 4.33Å; F62-Y65 HydrophobicContact CE2-CD1 4.18Å; F62-Y65 WeakPolarHBondContact O-CA 3.5Å; F62-Y65 VanDerWaalsContact O-CB 3.31Å; F62-Y65 WeakPolarHBondContact O-CB 3.38Å; F62-Y65 PolarHBondContact O-N 3.26Å; F62-Y65 VanDerWaalsContact O-N 3.07Å; T63-Y65 VanDerWaalsContact C-N 3.32Å; T63-Y65 PolarHBondContact O-N 3.43Å; Y65-H67 VanDerWaalsContact C-N 3.33Å; Y65-H67 PolarHBondContact O-N 3.1Å; Y65-K68 PolarHBondContact O-N 2.79Å; Y65-F69 WeakPolarHBondContact O-CB 3.24Å; Y65-F69 PolarHBondContact O-N 3.18Å; Y65-N132 HydrophobicContact CE1-CB 3.71Å; Y65-N132 VanDerWaalsContact OH-CG 3.24Å; Y65-N132 PolarHBondContact OH-ND2 3.36Å; Y65-N132 VanDerWaalsContact OH-ND2 3.08Å
66	V	96.8	Very high	96.2	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-59.9	-42.6	179.4	171.9	0	0	0	0	111.5	I51 F62 T63 K68 F69 F70	I51-V66 HydrophobicContact CD1-CB 4.37Å; I51-V66 HydrophobicContact CD1-CG1 4.18Å; I51-V66 HydrophobicContact CD1-CG2 4.17Å; F62-V66 HydrophobicContact CD1-CG2 4.11Å; F62-V66 HydrophobicContact CE1-CG2 3.62Å; F62-V66 HydrophobicContact CE2-CG2 4.12Å; F62-V66 HydrophobicContact CZ-CG2 3.63Å; F62-V66 WeakPolarHBondContact O-CG2 3.43Å; F62-V66 PolarHBondContact O-N 3.19Å; T63-V66 PolarHBondContact O-N 3.23Å; V66-K68 PolarHBondContact O-N 3.44Å; V66-F69 WeakPolarHBondContact O-CB 3.3Å; V66-F69 PolarHBondContact O-N 3.28Å; V66-F70 HydrophobicContact CG1-CD2 3.58Å; V66-F70 HydrophobicContact CG1-CE2 3.19Å; V66-F70 HydrophobicContact CG1-CZ 4.15Å; V66-F70 WeakPolarHBondContact O-CD2 3.19Å; V66-F70 PolarHBondContact O-N 3.22Å
67	H	96.9	Very high	96.1	Very high	59 Å²	59	62.7 Å²	62.7	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-50.1	175.8	-178	-104.9	0	0	0	112	T63 Y65 F69 F70 I71 N79 Y112	T63-H67 WeakPolarHBondContact O-CB 3.44Å; T63-H67 PolarHBondContact O-N 3.49Å; Y65-H67 VanDerWaalsContact C-N 3.33Å; Y65-H67 PolarHBondContact O-N 3.1Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.81Å; H67-F70 PolarHBondContact O-N 2.93Å; H67-I71 WeakPolarHBondContact CE1-CD1 3.29Å; H67-I71 WeakPolarHBondContact O-CG1 3.4Å; H67-I71 PolarHBondContact O-N 2.99Å; H67-I71 VanDerWaalsContact O-N 3.15Å; H67-N79 PolarHBondContact CD2-ND2 3.21Å; H67-N79 VanDerWaalsContact CD2-ND2 3.28Å; H67-N79 PolarHBondContact NE2-ND2 3.45Å; H67-Y112 HydrophobicContact CB-CE1 3.81Å
68	K	96.8	Very high	96.1	Very high	139 Å²	139	64.6 Å²	64.6	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-64.5	-38.8	177.5	-70.5	175.2	-177.8	179.9	0	111.9	S64 Y65 V66 I71 N72	S64-K68 WeakPolarHBondContact O-CG 3.38Å; S64-K68 PolarHBondContact O-N 2.93Å; Y65-K68 PolarHBondContact O-N 2.79Å; V66-K68 PolarHBondContact O-N 3.44Å; K68-I71 PolarHBondContact O-N 3.1Å; K68-N72 VanDerWaalsContact O-CB 3.3Å; K68-N72 WeakPolarHBondContact O-CB 3.04Å; K68-N72 PolarHBondContact O-N 3.36Å; K68-N72 PolarHBondContact O-ND2 2.76Å; K68-N72 PolarHBondContact O-OD1 2.83Å
69	F	96.5	Very high	96	Very high	30 Å²	30	64.9 Å²	64.9	13%	0.132	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-49.8	178.2	174.8	-106.1	0	0	0	111.3	Y65 V66 H67 N72 C73 L125 L128 I129	Y65-F69 WeakPolarHBondContact O-CB 3.24Å; Y65-F69 PolarHBondContact O-N 3.18Å; V66-F69 WeakPolarHBondContact O-CB 3.3Å; V66-F69 PolarHBondContact O-N 3.28Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.81Å; F69-N72 PolarHBondContact O-N 3.45Å; F69-C73 PolarHBondContact O-N 3.17Å; F69-C73 PolarHBondContact O-SG 3.02Å; F69-C73 VanDerWaalsContact O-SG 3.32Å; F69-L125 HydrophobicContact CE1-CD2 3.66Å; F69-L125 HydrophobicContact CZ-CD2 3.8Å; F69-L128 HydrophobicContact CE2-CB 4.18Å; F69-L128 HydrophobicContact CE2-CD1 3.95Å; F69-L128 HydrophobicContact CZ-CB 3.79Å; F69-L128 HydrophobicContact CZ-CD1 3.73Å; F69-L128 HydrophobicContact CZ-CG 4.42Å; F69-I129 HydrophobicContact CD1-CD1 4.39Å; F69-I129 HydrophobicContact CD1-CG1 4.13Å; F69-I129 HydrophobicContact CE1-CD1 4.17Å; F69-I129 HydrophobicContact CE1-CG1 3.93Å
70	F	96.4	Very high	95.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-39.1	-179.9	-69.9	-51.2	0	0	0	113.8	F49 V66 H67 N72 C73 G74 Y75 V77 I114 L125 I129	F49-F70 HydrophobicContact CD1-CZ 4.47Å; F49-F70 HydrophobicContact CD2-CE2 4.43Å; F49-F70 HydrophobicContact CD2-CZ 4.15Å; F49-F70 HydrophobicContact CE1-CZ 4.08Å; F49-F70 HydrophobicContact CE2-CE1 4.43Å; F49-F70 HydrophobicContact CE2-CE2 4.43Å; F49-F70 AromaticContact CE2-CZ 3.76Å; F49-F70 HydrophobicContact CE2-CZ 3.76Å; F49-F70 HydrophobicContact CZ-CE1 4.29Å; F49-F70 AromaticContact CZ-CZ 3.72Å; F49-F70 HydrophobicContact CZ-CZ 3.72Å; V66-F70 HydrophobicContact CG1-CD2 3.58Å; V66-F70 HydrophobicContact CG1-CE2 3.19Å; V66-F70 HydrophobicContact CG1-CZ 4.15Å; V66-F70 WeakPolarHBondContact O-CD2 3.19Å; V66-F70 PolarHBondContact O-N 3.22Å; H67-F70 PolarHBondContact O-N 2.93Å; F70-N72 VanDerWaalsContact C-N 3.31Å; F70-N72 PolarHBondContact O-N 3.17Å; F70-C73 WeakPolarHBondContact O-CB 3.2Å; F70-C73 PolarHBondContact O-N 3.32Å; F70-G74 PolarHBondContact O-N 3.37Å; F70-Y75 PolarHBondContact O-N 2.96Å; F70-Y75 VanDerWaalsContact O-N 3.14Å; F70-V77 HydrophobicContact CB-CG2 3.34Å; F70-V77 HydrophobicContact CD2-CG2 4.47Å; F70-V77 HydrophobicContact CG-CG2 4.24Å; F70-I114 HydrophobicContact CB-CD1 4.16Å; F70-I114 HydrophobicContact CD1-CD1 3.25Å; F70-I114 HydrophobicContact CD2-CD1 3.46Å; F70-I114 VanDerWaalsContact CD2-CD1 3.46Å; F70-I114 HydrophobicContact CD2-CG1 4.43Å; F70-I114 HydrophobicContact CE1-CD1 3.23Å; F70-I114 HydrophobicContact CE2-CD1 3.43Å; F70-I114 VanDerWaalsContact CE2-CD1 3.43Å; F70-I114 HydrophobicContact CG-CD1 3.36Å; F70-I114 HydrophobicContact CG-CG1 4.48Å; F70-I114 HydrophobicContact CZ-CD1 3.31Å; F70-L125 HydrophobicContact CE1-CD1 4.49Å; F70-I129 HydrophobicContact CE1-CD1 3.84Å; F70-I129 HydrophobicContact CE2-CD1 4.3Å; F70-I129 HydrophobicContact CZ-CD1 3.41Å; F70-I129 VanDerWaalsContact CZ-CD1 3.41Å
71	I	96.1	Very high	95.8	Very high	88 Å²	88	65.9 Å²	65.9	45%	0.451	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-44.5	172.9	-71	172.3	0	0	0	110.6	H67 K68 C73 G74	H67-I71 WeakPolarHBondContact CE1-CD1 3.29Å; H67-I71 WeakPolarHBondContact O-CG1 3.4Å; H67-I71 PolarHBondContact O-N 2.99Å; H67-I71 VanDerWaalsContact O-N 3.15Å; K68-I71 PolarHBondContact O-N 3.1Å; I71-C73 VanDerWaalsContact C-N 3.26Å; I71-C73 PolarHBondContact O-N 3.03Å; I71-G74 PolarHBondContact O-N 3.42Å
72	N	96.4	Very high	95.7	Very high	137 Å²	137	57.5 Å²	57.5	73%	0.733	31%	0.308	S	S	*	.	H	α-helix	trans	-66.1	-29	178.2	-70.4	-7.5	0	0	0	112.6	K68 F69 F70 G74	K68-N72 VanDerWaalsContact O-CB 3.3Å; K68-N72 WeakPolarHBondContact O-CB 3.04Å; K68-N72 PolarHBondContact O-N 3.36Å; K68-N72 PolarHBondContact O-ND2 2.76Å; K68-N72 PolarHBondContact O-OD1 2.83Å; F69-N72 PolarHBondContact O-N 3.45Å; F70-N72 VanDerWaalsContact C-N 3.31Å; F70-N72 PolarHBondContact O-N 3.17Å; N72-G74 PolarHBondContact O-N 3.4Å
73	C	94.8	Very high	95.5	Very high	57 Å²	57	60.4 Å²	60.4	39%	0.385	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.4	171.6	-69.7	0	0	0	0	113.7	F69 F70 I71 Y75	F69-C73 PolarHBondContact O-N 3.17Å; F69-C73 PolarHBondContact O-SG 3.02Å; F69-C73 VanDerWaalsContact O-SG 3.32Å; F70-C73 WeakPolarHBondContact O-CB 3.2Å; F70-C73 PolarHBondContact O-N 3.32Å; I71-C73 VanDerWaalsContact C-N 3.26Å; I71-C73 PolarHBondContact O-N 3.03Å; C73-Y75 HydrophobicContact CB-CD2 3.57Å; C73-Y75 HydrophobicContact CB-CE2 3.71Å
74	G	95	Very high	95.5	Very high	69 Å²	69	63.1 Å²	63.1	71%	0.711	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	21.4	178.6	0	0	0	0	0	114.4	F70 I71 N72	F70-G74 PolarHBondContact O-N 3.37Å; I71-G74 PolarHBondContact O-N 3.42Å; N72-G74 PolarHBondContact O-N 3.4Å
75	Y	95.2	Very high	95.4	Very high	42 Å²	42	62.9 Å²	62.9	17%	0.165	34%	0.343	C	S	.	.			trans	-93.6	146.9	174.8	-65.3	-71.5	0	0	0	111.6	F70 C73 I114 V117 H121 L125	F70-Y75 PolarHBondContact O-N 2.96Å; F70-Y75 VanDerWaalsContact O-N 3.14Å; C73-Y75 HydrophobicContact CB-CD2 3.57Å; C73-Y75 HydrophobicContact CB-CE2 3.71Å; Y75-I114 HydrophobicContact CD1-CG2 3.97Å; Y75-I114 HydrophobicContact CG-CG2 3.87Å; Y75-V117 HydrophobicContact CD1-CG2 4.31Å; Y75-V117 HydrophobicContact CE1-CG2 4.11Å; Y75-H121 WeakPolarHBondContact OH-CB 3.39Å; Y75-L125 HydrophobicContact CD2-CD1 4.47Å; Y75-L125 HydrophobicContact CE2-CD1 3.71Å; Y75-L125 HydrophobicContact CE2-CD2 4.22Å
76	E	93.9	Very high	95.4	Very high	145 Å²	145	65.3 Å²	65.3	68%	0.678	36%	0.356	S	S	*	.			trans	-79.5	129.9	166.9	-172.7	172.5	-163.2	0	0	109.2
77	V	95.5	Very high	95.4	Very high	25 Å²	25	69 Å²	69	15%	0.152	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.7	-170.5	-174.9	0	0	0	0	109.2	F70 Y112 I114	F70-V77 HydrophobicContact CB-CG2 3.34Å; F70-V77 HydrophobicContact CD2-CG2 4.47Å; F70-V77 HydrophobicContact CG-CG2 4.24Å; V77-Y112 HydrophobicContact CG1-CD1 3.61Å; V77-Y112 HydrophobicContact CG1-CE1 4.25Å; V77-I114 HydrophobicContact CG2-CG1 4.4Å
78	E	94.5	Very high	95.4	Very high	117 Å²	117	71.1 Å²	71.1	55%	0.547	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132	166.6	-64	176.1	175.8	0	0	108.4	Y112 R113	E78-Y112 CarbonylContact O-C 3.56Å; E78-Y112 WeakPolarHBondContact O-CA 3.33Å; E78-R113 HydrophobicContact CB-CB 4.23Å; E78-R113 PolarHBondContact N-O 3.29Å; E78-R113 PolarHBondContact O-N 2.93Å
79	N	94.7	Very high	95.4	Very high	69 Å²	69	69 Å²	69	37%	0.369	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.9	177.9	72	71.3	0	0	0	111.4	H67 I111 Y112	H67-N79 PolarHBondContact CD2-ND2 3.21Å; H67-N79 VanDerWaalsContact CD2-ND2 3.28Å; H67-N79 PolarHBondContact NE2-ND2 3.45Å; N79-I111 VanDerWaalsContact CA-O 3.29Å; N79-I111 WeakPolarHBondContact CA-O 3.43Å; N79-Y112 HydrophobicContact CB-CD1 3.76Å; N79-Y112 HydrophobicContact CB-CE1 3.59Å; N79-Y112 HydrophobicContact CB-CG 4.33Å
80	F	94.8	Very high	95.5	Very high	6 Å²	6	73.9 Å²	73.9	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	149.7	172.3	57.3	-85.3	0	0	0	111.7	L82 I111 R152	F80-L82 HydrophobicContact CD2-CD2 4.47Å; F80-L82 HydrophobicContact CE2-CD2 4.14Å; F80-I111 HydrophobicContact CD1-CB 4.45Å; F80-I111 HydrophobicContact CD1-CG2 4.49Å; F80-I111 HydrophobicContact CD2-CB 4.35Å; F80-I111 HydrophobicContact CD2-CD1 4.46Å; F80-I111 HydrophobicContact CE1-CB 4.09Å; F80-I111 HydrophobicContact CE1-CG2 3.76Å; F80-I111 HydrophobicContact CE2-CB 4Å; F80-I111 HydrophobicContact CE2-CD1 3.59Å; F80-I111 HydrophobicContact CE2-CG1 4.29Å; F80-I111 HydrophobicContact CE2-CG2 4.33Å; F80-I111 HydrophobicContact CZ-CB 3.86Å; F80-I111 HydrophobicContact CZ-CD1 3.79Å; F80-I111 HydrophobicContact CZ-CG1 4.42Å; F80-I111 HydrophobicContact CZ-CG2 3.68Å; F80-I111 PolarHBondContact N-O 3.47Å; F80-I111 VanDerWaalsContact N-O 3.09Å; F80-I111 PolarHBondContact O-N 3.18Å; F80-R152 HydrophobicContact CD2-CB 4.36Å; F80-R152 HydrophobicContact CD2-CG 4.21Å
81	P	95.1	Very high	95.5	Very high	57 Å²	57	78 Å²	78	37%	0.37	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	150.1	168	27.8	-27.7	0	0	0	112
82	L	94.6	Very high	95.6	Very high	13 Å²	13	79.7 Å²	79.7	7%	0.068	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	153.1	158.4	-72.2	179.9	0	0	0	110.3	F80 R109 I111 L148 D151 R152	F80-L82 HydrophobicContact CD2-CD2 4.47Å; F80-L82 HydrophobicContact CE2-CD2 4.14Å; L82-R109 HydrophobicContact CB-CB 4.21Å; L82-R109 HydrophobicContact CD1-CB 4.45Å; L82-R109 PolarHBondContact N-O 2.92Å; L82-R109 VanDerWaalsContact N-O 3.16Å; L82-I111 HydrophobicContact CD1-CD1 3.48Å; L82-I111 VanDerWaalsContact CD1-CD1 3.48Å; L82-I111 HydrophobicContact CD1-CG1 4.28Å; L82-I111 HydrophobicContact CD2-CD1 4.25Å; L82-I111 HydrophobicContact CG-CD1 3.7Å; L82-I111 HydrophobicContact CG-CG1 4.38Å; L82-L148 HydrophobicContact CD1-CD2 4.3Å; L82-D151 HydrophobicContact CD2-CB 4.15Å; L82-R152 HydrophobicContact CD2-CB 4.43Å
83	P	93.6	Very high	95.6	Very high	70 Å²	70	77.5 Å²	77.5	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	144.2	173.2	24.7	-33.6	0	0	0	111	S85 D151	P83-S85 PolarHBondContact O-N 3.19Å; P83-D151 VanDerWaalsContact CD-O 3.32Å; P83-D151 WeakPolarHBondContact CD-O 3.27Å
84	P	94.9	Very high	95.7	Very high	60 Å²	60	80.9 Å²	80.9	39%	0.39	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.7	-178.9	26.4	-33	0	0	0	111.5	K86 E107 F108	P84-K86 PolarHBondContact O-N 3.45Å; P84-E107 WeakPolarHBondContact CA-O 3.42Å; P84-F108 HydrophobicContact CB-CD1 3.68Å; P84-F108 HydrophobicContact CB-CE1 3.7Å; P84-F108 HydrophobicContact CG-CD1 4.43Å; P84-F108 HydrophobicContact CG-CE1 4.21Å
85	S	93.9	Very high	95.7	Very high	53 Å²	53	85.8 Å²	85.8	37%	0.371	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	112.5	172.3	171.4	0	0	0	0	109.2	P83 E107	P83-S85 PolarHBondContact O-N 3.19Å; S85-E107 PolarHBondContact N-O 3.01Å; S85-E107 PolarHBondContact O-N 3.4Å
86	K	96	Very high	95.8	Very high	135 Å²	135	85.8 Å²	85.8	59%	0.587	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.1	175.8	-61.8	-176.5	178.4	-174.4	0	110.5	P84	P84-K86 PolarHBondContact O-N 3.45Å
87	K	97.2	Very high	95.8	Very high	78 Å²	78	85 Å²	85	34%	0.339	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	175.7	-67.3	175.8	-171	162.4	0	109.2	Y89 E104 I105 E107	K87-Y89 HydrophobicContact CB-CD2 4.3Å; K87-Y89 HydrophobicContact CB-CE2 3.58Å; K87-Y89 WeakPolarHBondContact O-CD2 3.2Å; K87-E104 WeakPolarHBondContact O-CA 3.36Å; K87-I105 PolarHBondContact N-O 3.27Å; K87-I105 PolarHBondContact O-N 3.04Å; K87-E107 IonicContact NZ-OE1 3.94Å; K87-E107 PolarHBondContact NZ-OE1 3.28Å; K87-E107 IonicContact NZ-OE2 3.34Å; K87-E107 PolarHBondContact NZ-OE2 3.3Å
88	L	97.5	Very high	95.9	Very high	103 Å²	103	88.8 Å²	88.8	54%	0.539	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.4	174.6	-83	161.8	0	0	0	109.7	E104	L88-E104 HydrophobicContact CD2-CG 3.27Å; L88-E104 WeakPolarHBondContact CD2-OE1 3.32Å; L88-E104 HydrophobicContact CG-CG 3.87Å
89	Y	97.3	Very high	96	Very high	96 Å²	96	86.9 Å²	86.9	38%	0.376	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.3	173.2	-68.7	-88.9	0	0	0	109.2	K87 D102 F103 I105	K87-Y89 HydrophobicContact CB-CD2 4.3Å; K87-Y89 HydrophobicContact CB-CE2 3.58Å; K87-Y89 WeakPolarHBondContact O-CD2 3.2Å; Y89-D102 WeakPolarHBondContact O-CA 3.44Å; Y89-F103 VanDerWaalsContact CB-CE2 3.46Å; Y89-F103 HydrophobicContact CD2-CD2 4.46Å; Y89-F103 HydrophobicContact CD2-CE2 4.08Å; Y89-F103 AromaticContact CG-CE2 3.92Å; Y89-F103 HydrophobicContact CG-CE2 3.92Å; Y89-F103 HydrophobicContact CG-CZ 4.4Å; Y89-F103 PolarHBondContact N-O 3.49Å; Y89-F103 PolarHBondContact O-N 3.48Å; Y89-I105 HydrophobicContact CD2-CB 4.14Å; Y89-I105 HydrophobicContact CD2-CD1 3.84Å; Y89-I105 HydrophobicContact CD2-CG1 3.85Å; Y89-I105 HydrophobicContact CE2-CB 3.87Å; Y89-I105 HydrophobicContact CE2-CD1 3.76Å; Y89-I105 HydrophobicContact CE2-CG1 3.95Å
90	R	97.1	Very high	96.1	Very high	131 Å²	131	92.2 Å²	92.2	49%	0.494	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.7	178.1	-66.6	176.9	177.5	174.8	1.5	108.6	Y92 I99 D102	R90-Y92 HydrophobicContact CB-CE2 3.95Å; R90-Y92 WeakPolarHBondContact O-CD2 3.32Å; R90-Y92 WeakPolarHBondContact O-CE2 3.42Å; R90-I99 HydrophobicContact CB-CG2 4.49Å; R90-I99 HydrophobicContact CG-CD1 4.47Å; R90-D102 HydrophobicContact CG-CB 4.24Å
91	L	97.3	Very high	96.2	Very high	86 Å²	86	94.1 Å²	94.1	45%	0.45	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.6	169.6	-62	-177.6	0	0	0	108.2	R100 S101 F103	L91-R100 WeakPolarHBondContact O-CB 3.37Å; L91-R100 PolarHBondContact O-N 2.89Å; L91-S101 WeakPolarHBondContact CD1-OG 3.15Å; L91-S101 PolarHBondContact N-O 3.46Å; L91-S101 PolarHBondContact O-N 2.91Å; L91-F103 HydrophobicContact CD1-CE1 3.8Å; L91-F103 HydrophobicContact CD2-CE1 4.27Å; L91-F103 HydrophobicContact CG-CE1 3.76Å
92	Y	97.8	Very high	96.3	Very high	124 Å²	124	96.5 Å²	96.5	49%	0.486	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	152.5	178.8	-64.7	-83.8	0	0	0	110.5	R90 T97 N98 I99	R90-Y92 HydrophobicContact CB-CE2 3.95Å; R90-Y92 WeakPolarHBondContact O-CD2 3.32Å; R90-Y92 WeakPolarHBondContact O-CE2 3.42Å; Y92-T97 WeakPolarHBondContact CD1-O 3.3Å; Y92-N98 WeakPolarHBondContact CA-O 3.36Å; Y92-I99 HydrophobicContact CD1-CG1 4.33Å; Y92-I99 HydrophobicContact CE1-CG1 3.88Å
93	H	97.4	Very high	96.4	Very high	91 Å²	91	100 Å²	100	42%	0.421	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.5	165.6	-72.7	-79.4	0	0	0	110.2	N95 S96 N98	H93-N95 PolarHBondContact O-N 3.47Å; H93-S96 PolarHBondContact O-N 3.47Å; H93-N98 PolarHBondContact CD2-O 3.21Å; H93-N98 PolarHBondContact N-O 3.1Å
94	T	96.4	Very high	96.6	Very high	129 Å²	129	102 Å²	102	79%	0.791	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	127.4	178.5	-48.6	0	0	0	0	110.4	S96	T94-S96 PolarHBondContact O-N 3.15Å
95	N	95	Very high	96.6	Very high	171 Å²	171	101.8 Å²	101.8	91%	0.914	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	28.6	-178.7	-56.3	-29.6	0	0	0	114.6	H93	H93-N95 PolarHBondContact O-N 3.47Å
96	S	96.4	Very high	96.8	Very high	43 Å²	43	100.7 Å²	100.7	30%	0.301	50%	0.496	S	S	.	.			trans	-136.2	149.5	178.5	-177.9	0	0	0	0	110.5	H93 T94 N98	H93-S96 PolarHBondContact O-N 3.47Å; T94-S96 PolarHBondContact O-N 3.15Å; S96-N98 WeakPolarHBondContact OG-CB 3.21Å; S96-N98 PolarHBondContact OG-N 3.39Å; S96-N98 VanDerWaalsContact OG-N 3.1Å
97	T	94.8	Very high	96.8	Very high	127 Å²	127	96.1 Å²	96.1	78%	0.779	48%	0.477	S	S	*	.			trans	-84.2	-2.3	170.1	52.1	0	0	0	0	112.4	Y92 I99	Y92-T97 WeakPolarHBondContact CD1-O 3.3Å; T97-I99 PolarHBondContact O-N 2.97Å
98	N	97.1	Very high	96.8	Very high	105 Å²	105	94.8 Å²	94.8	56%	0.561	47%	0.471	S	S	*	.	S	Bend	trans	-71.1	127.4	177.1	-68.8	-19.4	0	0	0	110.2	Y92 H93 S96 R100	Y92-N98 WeakPolarHBondContact CA-O 3.36Å; H93-N98 PolarHBondContact CD2-O 3.21Å; H93-N98 PolarHBondContact N-O 3.1Å; S96-N98 WeakPolarHBondContact OG-CB 3.21Å; S96-N98 PolarHBondContact OG-N 3.39Å; S96-N98 VanDerWaalsContact OG-N 3.1Å; N98-R100 PolarHBondContact O-N 3.09Å
99	I	97.2	Very high	96.8	Very high	77 Å²	77	92.8 Å²	92.8	40%	0.395	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.1	176.1	-60	167	0	0	0	107.8	R90 Y92 T97 D102	R90-I99 HydrophobicContact CB-CG2 4.49Å; R90-I99 HydrophobicContact CG-CD1 4.47Å; Y92-I99 HydrophobicContact CD1-CG1 4.33Å; Y92-I99 HydrophobicContact CE1-CG1 3.88Å; T97-I99 PolarHBondContact O-N 2.97Å; I99-D102 HydrophobicContact CG2-CB 4.43Å
100	R	96.7	Very high	96.8	Very high	181 Å²	181	90.4 Å²	90.4	68%	0.683	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	-46.2	173.8	178.4	-179.7	177	179.3	-0	111	L91 N98	L91-R100 WeakPolarHBondContact O-CB 3.37Å; L91-R100 PolarHBondContact O-N 2.89Å; N98-R100 PolarHBondContact O-N 3.09Å
101	S	97.2	Very high	96.7	Very high	46 Å²	46	84.2 Å²	84.2	32%	0.322	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	148.1	177.7	63.1	0	0	0	0	109.7	L91	L91-S101 WeakPolarHBondContact CD1-OG 3.15Å; L91-S101 PolarHBondContact N-O 3.46Å; L91-S101 PolarHBondContact O-N 2.91Å
102	D	97.1	Very high	96.7	Very high	107 Å²	107	80.7 Å²	80.7	57%	0.572	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	146	174.5	53.8	-19.2	0	0	0	110.1	Y89 R90 I99	Y89-D102 WeakPolarHBondContact O-CA 3.44Å; R90-D102 HydrophobicContact CG-CB 4.24Å; I99-D102 HydrophobicContact CG2-CB 4.43Å
103	F	97	Very high	96.6	Very high	87 Å²	87	75.8 Å²	75.8	38%	0.382	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.6	174.6	54.9	-93.6	0	0	0	110.2	Y89 L91 I105	Y89-F103 VanDerWaalsContact CB-CE2 3.46Å; Y89-F103 HydrophobicContact CD2-CD2 4.46Å; Y89-F103 HydrophobicContact CD2-CE2 4.08Å; Y89-F103 AromaticContact CG-CE2 3.92Å; Y89-F103 HydrophobicContact CG-CE2 3.92Å; Y89-F103 HydrophobicContact CG-CZ 4.4Å; Y89-F103 PolarHBondContact N-O 3.49Å; Y89-F103 PolarHBondContact O-N 3.48Å; L91-F103 HydrophobicContact CD1-CE1 3.8Å; L91-F103 HydrophobicContact CD2-CE1 4.27Å; L91-F103 HydrophobicContact CG-CE1 3.76Å; F103-I105 HydrophobicContact CD2-CD1 4.29Å; F103-I105 HydrophobicContact CD2-CG1 3.94Å; F103-I105 HydrophobicContact CE2-CD1 3.85Å; F103-I105 HydrophobicContact CE2-CG1 4.02Å
104	E	96.7	Very high	96.5	Very high	111 Å²	111	71.5 Å²	71.5	52%	0.519	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.7	176.2	-71.4	-176.4	-173.3	0	0	109.9	K87 L88	K87-E104 WeakPolarHBondContact O-CA 3.36Å; L88-E104 HydrophobicContact CD2-CG 3.27Å; L88-E104 WeakPolarHBondContact CD2-OE1 3.32Å; L88-E104 HydrophobicContact CG-CG 3.87Å
105	I	96.2	Very high	96.4	Very high	56 Å²	56	68 Å²	68	29%	0.287	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.7	167.1	-59.6	-178.3	0	0	0	107.7	H54 K87 Y89 F103	H54-I105 VanDerWaalsContact ND1-CG2 3.3Å; H54-I105 WeakPolarHBondContact ND1-CG2 3.36Å; K87-I105 PolarHBondContact N-O 3.27Å; K87-I105 PolarHBondContact O-N 3.04Å; Y89-I105 HydrophobicContact CD2-CB 4.14Å; Y89-I105 HydrophobicContact CD2-CD1 3.84Å; Y89-I105 HydrophobicContact CD2-CG1 3.85Å; Y89-I105 HydrophobicContact CE2-CB 3.87Å; Y89-I105 HydrophobicContact CE2-CD1 3.76Å; Y89-I105 HydrophobicContact CE2-CG1 3.95Å; F103-I105 HydrophobicContact CD2-CD1 4.29Å; F103-I105 HydrophobicContact CD2-CG1 3.94Å; F103-I105 HydrophobicContact CE2-CD1 3.85Å; F103-I105 HydrophobicContact CE2-CG1 4.02Å
106	S	96.8	Very high	96.3	Very high	31 Å²	31	61.8 Å²	61.8	22%	0.217	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.4	171.6	-60.6	0	0	0	0	110	H54	H54-S106 PolarHBondContact ND1-O 2.85Å; H54-S106 VanDerWaalsContact ND1-O 3.14Å
107	E	97.2	Very high	96.2	Very high	38 Å²	38	59.8 Å²	59.8	18%	0.178	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.8	168.9	-79.3	175.1	-166.2	0	0	108.5	H54 P84 S85 K87	H54-E107 WeakPolarHBondContact CE1-CG 3.48Å; H54-E107 IonicContact CE1-OE1 3.86Å; H54-E107 WeakPolarHBondContact ND1-CG 3.38Å; P84-E107 WeakPolarHBondContact CA-O 3.42Å; S85-E107 PolarHBondContact N-O 3.01Å; S85-E107 PolarHBondContact O-N 3.4Å; K87-E107 IonicContact NZ-OE1 3.94Å; K87-E107 PolarHBondContact NZ-OE1 3.28Å; K87-E107 IonicContact NZ-OE2 3.34Å; K87-E107 PolarHBondContact NZ-OE2 3.3Å
108	F	97.3	Very high	96.2	Very high	50 Å²	50	58.5 Å²	58.5	22%	0.219	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	140.9	175.3	-57.6	-81.6	0	0	0	109.5	R52 G53 H54 Y56 L59 P84	R52-F108 WeakPolarHBondContact CA-O 3.31Å; G53-F108 PolarHBondContact N-O 2.71Å; G53-F108 PolarHBondContact O-N 3.43Å; H54-F108 WeakPolarHBondContact O-CE2 3.48Å; Y56-F108 AromaticContact CD2-CD1 3.87Å; Y56-F108 HydrophobicContact CD2-CD1 3.87Å; Y56-F108 HydrophobicContact CD2-CE1 4.16Å; Y56-F108 HydrophobicContact CD2-CG 4.1Å; L59-F108 HydrophobicContact CD2-CB 3.39Å; P84-F108 HydrophobicContact CB-CD1 3.68Å; P84-F108 HydrophobicContact CB-CE1 3.7Å; P84-F108 HydrophobicContact CG-CD1 4.43Å; P84-F108 HydrophobicContact CG-CE1 4.21Å
109	R	96.3	Very high	96	Very high	62 Å²	62	55 Å²	55	23%	0.234	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.3	-177.8	-55.4	179.4	59.9	-161.6	1.4	110.6	D50 I51 R52 L82	D50-R109 IonicContact OD1-CZ 2.75Å; D50-R109 IonicContact OD1-NE 2.75Å; D50-R109 PolarHBondContact OD1-NE 3.39Å; D50-R109 IonicContact OD1-NH2 3.19Å; D50-R109 IonicContact OD2-CZ 2.88Å; D50-R109 IonicContact OD2-NE 2.75Å; D50-R109 PolarHBondContact OD2-NE 2.87Å; D50-R109 IonicContact OD2-NH2 3.31Å; D50-R109 PolarHBondContact OD2-NH2 3.27Å; I51-R109 CarbonylContact O-C 3.57Å; I51-R109 WeakPolarHBondContact O-CA 3.45Å; R52-R109 HydrophobicContact CB-CG 4.44Å; R52-R109 HydrophobicContact CG-CB 4.48Å; R52-R109 HydrophobicContact CG-CG 3.9Å; L82-R109 HydrophobicContact CB-CB 4.21Å; L82-R109 HydrophobicContact CD1-CB 4.45Å; L82-R109 PolarHBondContact N-O 2.92Å; L82-R109 VanDerWaalsContact N-O 3.16Å
110	R	96.9	Very high	95.9	Very high	46 Å²	46	55.3 Å²	55.3	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129	172.2	-67.5	-58.7	-167.6	148.7	-7.5	108.9	I51 L59 E60 T63 Y112	I51-R110 PolarHBondContact N-O 3.4Å; I51-R110 PolarHBondContact O-N 2.79Å; L59-R110 HydrophobicContact CD2-CG 4.1Å; L59-R110 HydrophobicContact CG-CG 4.23Å; E60-R110 IonicContact OE1-CZ 3.45Å; E60-R110 IonicContact OE1-NE 3.27Å; E60-R110 PolarHBondContact OE1-NE 2.84Å; E60-R110 IonicContact OE1-NH2 2.71Å; E60-R110 PolarHBondContact OE1-NH2 3.44Å; E60-R110 IonicContact OE2-CZ 3.88Å; E60-R110 IonicContact OE2-NE 3.4Å; E60-R110 IonicContact OE2-NH2 3.61Å; E60-R110 PolarHBondContact OE2-NH2 3.11Å; T63-R110 HydrophobicContact CG2-CB 3.66Å; T63-R110 HydrophobicContact CG2-CG 3.72Å; R110-Y112 HydrophobicContact CB-CE2 4.1Å
111	I	96.3	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.1	179	-64.3	175.8	0	0	0	108.9	Q48 F49 N79 F80 L82 R113 L148	Q48-I111 HydrophobicContact CG-CG2 3.7Å; F49-I111 WeakPolarHBondContact O-CA 3.44Å; N79-I111 VanDerWaalsContact CA-O 3.29Å; N79-I111 WeakPolarHBondContact CA-O 3.43Å; F80-I111 HydrophobicContact CD1-CB 4.45Å; F80-I111 HydrophobicContact CD1-CG2 4.49Å; F80-I111 HydrophobicContact CD2-CB 4.35Å; F80-I111 HydrophobicContact CD2-CD1 4.46Å; F80-I111 HydrophobicContact CE1-CB 4.09Å; F80-I111 HydrophobicContact CE1-CG2 3.76Å; F80-I111 HydrophobicContact CE2-CB 4Å; F80-I111 HydrophobicContact CE2-CD1 3.59Å; F80-I111 HydrophobicContact CE2-CG1 4.29Å; F80-I111 HydrophobicContact CE2-CG2 4.33Å; F80-I111 HydrophobicContact CZ-CB 3.86Å; F80-I111 HydrophobicContact CZ-CD1 3.79Å; F80-I111 HydrophobicContact CZ-CG1 4.42Å; F80-I111 HydrophobicContact CZ-CG2 3.68Å; F80-I111 PolarHBondContact N-O 3.47Å; F80-I111 VanDerWaalsContact N-O 3.09Å; F80-I111 PolarHBondContact O-N 3.18Å; L82-I111 HydrophobicContact CD1-CD1 3.48Å; L82-I111 VanDerWaalsContact CD1-CD1 3.48Å; L82-I111 HydrophobicContact CD1-CG1 4.28Å; L82-I111 HydrophobicContact CD2-CD1 4.25Å; L82-I111 HydrophobicContact CG-CD1 3.7Å; L82-I111 HydrophobicContact CG-CG1 4.38Å; I111-R113 HydrophobicContact CG2-CG 4.13Å; I111-L148 HydrophobicContact CD1-CB 4.08Å; I111-L148 HydrophobicContact CD1-CD1 3.7Å; I111-L148 HydrophobicContact CD1-CG 4.41Å
112	Y	96.7	Very high	95.6	Very high	13 Å²	13	48.9 Å²	48.9	5%	0.051	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.5	171.6	-74.8	-96.3	0	0	0	108.8	Q48 F49 I51 T63 H67 V77 E78 N79 R110	Q48-Y112 CarbonylContact C-O 3.54Å; Q48-Y112 WeakPolarHBondContact CA-O 3.44Å; F49-Y112 PolarHBondContact N-O 3.36Å; F49-Y112 PolarHBondContact O-N 3.5Å; I51-Y112 HydrophobicContact CD1-CD2 3.71Å; I51-Y112 HydrophobicContact CD1-CE2 3.93Å; I51-Y112 HydrophobicContact CG1-CD2 4.42Å; T63-Y112 WeakPolarHBondContact CB-OH 3.38Å; T63-Y112 HydrophobicContact CG2-CE2 3.98Å; T63-Y112 PolarHBondContact O-OH 2.81Å; H67-Y112 HydrophobicContact CB-CE1 3.81Å; V77-Y112 HydrophobicContact CG1-CD1 3.61Å; V77-Y112 HydrophobicContact CG1-CE1 4.25Å; E78-Y112 CarbonylContact O-C 3.56Å; E78-Y112 WeakPolarHBondContact O-CA 3.33Å; N79-Y112 HydrophobicContact CB-CD1 3.76Å; N79-Y112 HydrophobicContact CB-CE1 3.59Å; N79-Y112 HydrophobicContact CB-CG 4.33Å; R110-Y112 HydrophobicContact CB-CE2 4.1Å
113	R	95.8	Very high	95.5	Very high	20 Å²	20	47 Å²	47	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.6	176	-65.9	173	176.9	171.1	-8.6	108.6	V47 Q48 E78 I111 D145 D149	V47-R113 WeakPolarHBondContact O-CA 3.32Å; Q48-R113 HydrophobicContact CB-CG 4.32Å; Q48-R113 HydrophobicContact CG-CG 4.05Å; E78-R113 HydrophobicContact CB-CB 4.23Å; E78-R113 PolarHBondContact N-O 3.29Å; E78-R113 PolarHBondContact O-N 2.93Å; I111-R113 HydrophobicContact CG2-CG 4.13Å; R113-D145 PolarHBondContact NH2-O 2.83Å; R113-D149 IonicContact CZ-OD1 2.68Å; R113-D149 IonicContact CZ-OD2 3.53Å; R113-D149 VanDerWaalsContact CZ-OD2 3.31Å; R113-D149 IonicContact NH1-OD1 3.55Å; R113-D149 PolarHBondContact NH1-OD1 3.02Å; R113-D149 IonicContact NH1-OD2 2.76Å; R113-D149 PolarHBondContact NH1-OD2 2.77Å; R113-D149 VanDerWaalsContact NH2-CG 3.28Å; R113-D149 IonicContact NH2-OD1 3.06Å; R113-D149 PolarHBondContact NH2-OD1 2.75Å; R113-D149 IonicContact NH2-OD2 2.83Å; R113-D149 PolarHBondContact NH2-OD2 2.97Å
114	I	95.8	Very high	95.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.5	-179.5	-54.4	177.3	0	0	0	108.8	S46 V47 F49 F70 Y75 V77 V117	S46-I114 CarbonylContact C-O 3.55Å; S46-I114 WeakPolarHBondContact CA-O 3.32Å; V47-I114 PolarHBondContact N-O 3.47Å; V47-I114 PolarHBondContact O-N 3.33Å; F49-I114 HydrophobicContact CD2-CD1 4.31Å; F49-I114 HydrophobicContact CE2-CD1 3.83Å; F49-I114 HydrophobicContact CE2-CG1 4.43Å; F70-I114 HydrophobicContact CB-CD1 4.16Å; F70-I114 HydrophobicContact CD1-CD1 3.25Å; F70-I114 HydrophobicContact CD2-CD1 3.46Å; F70-I114 VanDerWaalsContact CD2-CD1 3.46Å; F70-I114 HydrophobicContact CD2-CG1 4.43Å; F70-I114 HydrophobicContact CE1-CD1 3.23Å; F70-I114 HydrophobicContact CE2-CD1 3.43Å; F70-I114 VanDerWaalsContact CE2-CD1 3.43Å; F70-I114 HydrophobicContact CG-CD1 3.36Å; F70-I114 HydrophobicContact CG-CG1 4.48Å; F70-I114 HydrophobicContact CZ-CD1 3.31Å; Y75-I114 HydrophobicContact CD1-CG2 3.97Å; Y75-I114 HydrophobicContact CG-CG2 3.87Å; V77-I114 HydrophobicContact CG2-CG1 4.4Å; I114-V117 HydrophobicContact CB-CG2 4.24Å; I114-V117 HydrophobicContact CG2-CG2 3.63Å
115	S	93.8	Very high	95.3	Very high	55 Å²	55	42.5 Å²	42.5	39%	0.385	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	155.7	177.8	63.6	0	0	0	0	112	Q45 V117	Q45-S115 VanDerWaalsContact O-CA 3.24Å; Q45-S115 WeakPolarHBondContact O-CA 3.24Å; Q45-S115 WeakPolarHBondContact O-CB 3.25Å; S115-V117 PolarHBondContact O-N 2.92Å
116	G	93.2	Very high	95.3	Very high	41 Å²	41	41.4 Å²	41.4	42%	0.423	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.2	23.5	170.8	0	0	0	0	0	116.1	Y44 Q45 K118	Y44-G116 PolarHBondContact O-N 2.91Å; Q45-G116 PolarHBondContact O-N 3.42Å; G116-K118 PolarHBondContact O-N 3.46Å
117	V	94.2	Very high	95.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	120	179.9	-175.2	0	0	0	0	110.3	Y44 V47 Y75 I114 S115 H121 L122 L125	Y44-V117 PolarHBondContact N-O 3.48Å; Y44-V117 PolarHBondContact O-N 3.27Å; V47-V117 HydrophobicContact CG2-CB 4.41Å; V47-V117 HydrophobicContact CG2-CG2 4.4Å; Y75-V117 HydrophobicContact CD1-CG2 4.31Å; Y75-V117 HydrophobicContact CE1-CG2 4.11Å; I114-V117 HydrophobicContact CB-CG2 4.24Å; I114-V117 HydrophobicContact CG2-CG2 3.63Å; S115-V117 PolarHBondContact O-N 2.92Å; V117-H121 HydrophobicContact CG1-CB 4.48Å; V117-L122 HydrophobicContact CG1-CB 3.98Å; V117-L122 HydrophobicContact CG1-CD1 4.4Å; V117-L125 HydrophobicContact CG1-CD1 4.15Å
118	K	94.4	Very high	95.2	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.43	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142.7	172.7	-53.6	-178.1	-170.3	159.4	0	109.9	V43 G116 V120 H121 L122	V43-K118 HydrophobicContact CG2-CG 4.41Å; G116-K118 PolarHBondContact O-N 3.46Å; K118-V120 PolarHBondContact O-N 2.94Å; K118-H121 PolarHBondContact O-N 3.44Å; K118-L122 PolarHBondContact O-N 3.27Å
119	A	93.5	Very high	95.2	Very high	31 Å²	31	43.5 Å²	43.5	26%	0.256	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30	-179.4	0	0	0	0	0	113.6	H42 Y44 P123	H42-A119 HydrophobicContact CB-CB 4.02Å; H42-A119 VanDerWaalsContact O-CB 3.32Å; H42-A119 WeakPolarHBondContact O-CB 3.32Å; H42-A119 PolarHBondContact O-N 2.86Å; Y44-A119 HydrophobicContact CE2-CB 3.98Å; A119-P123 WeakPolarHBondContact O-CD 3.3Å
120	V	93.8	Very high	95.1	Very high	85 Å²	85	45.8 Å²	45.8	52%	0.515	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-31.9	176.3	-174.8	0	0	0	0	112.4	M41 K118	M41-V120 HydrophobicContact SD-CG2 4.31Å; K118-V120 PolarHBondContact O-N 2.94Å
121	H	94.7	Very high	95.1	Very high	68 Å²	68	50.6 Å²	50.6	32%	0.315	27%	0.272	S	S	.	.	H	α-helix	trans	-82.3	-30.3	-177.5	-64.5	-45.3	0	0	0	112.6	Y75 V117 K118 I124 L125	Y75-H121 WeakPolarHBondContact OH-CB 3.39Å; V117-H121 HydrophobicContact CG1-CB 4.48Å; K118-H121 PolarHBondContact O-N 3.44Å; H121-I124 PolarHBondContact O-N 2.9Å; H121-L125 WeakPolarHBondContact O-CG 3.37Å; H121-L125 PolarHBondContact O-N 3.28Å
122	L	93.9	Very high	95.1	Very high	23 Å²	23	54.4 Å²	54.4	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-51.7	-174.9	-179.6	66.9	0	0	0	112.9	Y44 V47 F49 V117 K118 I124 L125 L126	Y44-L122 HydrophobicContact CD2-CD2 4.01Å; Y44-L122 HydrophobicContact CE2-CB 4.31Å; Y44-L122 HydrophobicContact CE2-CD2 3.56Å; V47-L122 HydrophobicContact CG1-CD1 4.21Å; F49-L122 HydrophobicContact CZ-CD1 4.48Å; V117-L122 HydrophobicContact CG1-CB 3.98Å; V117-L122 HydrophobicContact CG1-CD1 4.4Å; K118-L122 PolarHBondContact O-N 3.27Å; L122-I124 VanDerWaalsContact C-N 3.3Å; L122-I124 PolarHBondContact O-N 2.89Å; L122-L125 PolarHBondContact O-N 2.94Å; L122-L126 HydrophobicContact CD1-CD1 4.48Å; L122-L126 HydrophobicContact CD1-CD2 4.36Å; L122-L126 HydrophobicContact CD1-CG 4.22Å; L122-L126 HydrophobicContact CG-CD1 4.33Å; L122-L126 HydrophobicContact CG-CG 4.4Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.98Å
123	P	95.2	Very high	95	Very high	69 Å²	69	56.6 Å²	56.6	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-57.7	-41.1	178.3	-24.3	34.4	0	0	0	113.1	A119 L125 L126 D127	A119-P123 WeakPolarHBondContact O-CD 3.3Å; P123-L125 PolarHBondContact O-N 3.07Å; P123-L126 PolarHBondContact O-N 3.47Å; P123-D127 VanDerWaalsContact O-CG 3.31Å; P123-D127 PolarHBondContact O-N 3Å
124	I	95.5	Very high	94.8	Very high	93 Å²	93	57.7 Å²	57.7	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-43.6	179.3	-58.3	169.9	0	0	0	110.7	H121 L122 L126 L128	H121-I124 PolarHBondContact O-N 2.9Å; L122-I124 VanDerWaalsContact C-N 3.3Å; L122-I124 PolarHBondContact O-N 2.89Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L128 HydrophobicContact CG2-CD1 4.2Å; I124-L128 VanDerWaalsContact O-CG 3.3Å; I124-L128 WeakPolarHBondContact O-CG 3.35Å; I124-L128 PolarHBondContact O-N 2.96Å; I124-L128 VanDerWaalsContact O-N 3.17Å
125	L	94.6	Very high	94.7	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.5	-66.3	171.5	0	0	0	111	F69 F70 Y75 V117 H121 L122 P123 L128 I129	F69-L125 HydrophobicContact CE1-CD2 3.66Å; F69-L125 HydrophobicContact CZ-CD2 3.8Å; F70-L125 HydrophobicContact CE1-CD1 4.49Å; Y75-L125 HydrophobicContact CD2-CD1 4.47Å; Y75-L125 HydrophobicContact CE2-CD1 3.71Å; Y75-L125 HydrophobicContact CE2-CD2 4.22Å; V117-L125 HydrophobicContact CG1-CD1 4.15Å; H121-L125 WeakPolarHBondContact O-CG 3.37Å; H121-L125 PolarHBondContact O-N 3.28Å; L122-L125 PolarHBondContact O-N 2.94Å; P123-L125 PolarHBondContact O-N 3.07Å; L125-L128 PolarHBondContact O-N 2.76Å; L125-I129 WeakPolarHBondContact O-CB 3.06Å; L125-I129 WeakPolarHBondContact O-CD1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.3Å; L125-I129 PolarHBondContact O-N 3.07Å
126	L	95.4	Very high	94.7	Very high	33 Å²	33	62 Å²	62	17%	0.173	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-47.7	178.2	-66.7	-171.5	0	0	0	111.7	F49 L122 P123 I124 L128 I129 Y130 I141	F49-L126 HydrophobicContact CE1-CD2 3.51Å; F49-L126 HydrophobicContact CZ-CD2 4.07Å; L122-L126 HydrophobicContact CD1-CD1 4.48Å; L122-L126 HydrophobicContact CD1-CD2 4.36Å; L122-L126 HydrophobicContact CD1-CG 4.22Å; L122-L126 HydrophobicContact CG-CD1 4.33Å; L122-L126 HydrophobicContact CG-CG 4.4Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.98Å; P123-L126 PolarHBondContact O-N 3.47Å; I124-L126 VanDerWaalsContact C-N 3.34Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 3.04Å; L126-I129 PolarHBondContact O-N 3.13Å; L126-I129 VanDerWaalsContact O-N 3.17Å; L126-Y130 HydrophobicContact CB-CD2 4.17Å; L126-Y130 HydrophobicContact CB-CE2 4.17Å; L126-Y130 WeakPolarHBondContact O-CB 3.41Å; L126-Y130 WeakPolarHBondContact O-CD2 3.31Å; L126-Y130 PolarHBondContact O-N 3.39Å; L126-I141 HydrophobicContact CD1-CD1 4.05Å; L126-I141 HydrophobicContact CD2-CD1 3.32Å; L126-I141 HydrophobicContact CD2-CG1 3.99Å; L126-I141 HydrophobicContact CG-CD1 4.29Å
127	D	96.5	Very high	94.8	Very high	98 Å²	98	60.5 Å²	60.5	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-44.6	179.4	-71.9	-17.3	0	0	0	111.2	P123 I129 Y130 Q131	P123-D127 VanDerWaalsContact O-CG 3.31Å; P123-D127 PolarHBondContact O-N 3Å; D127-I129 PolarHBondContact O-N 3.28Å; D127-Y130 PolarHBondContact O-N 3.07Å; D127-Q131 WeakPolarHBondContact O-CB 3.33Å; D127-Q131 WeakPolarHBondContact O-CG 3.36Å; D127-Q131 PolarHBondContact O-N 3.16Å
128	L	96.2	Very high	94.9	Very high	63 Å²	63	66.8 Å²	66.8	33%	0.33	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-39.5	178	-69.1	172	0	0	0	112.5	F69 I124 L125 L126 N132	F69-L128 HydrophobicContact CE2-CB 4.18Å; F69-L128 HydrophobicContact CE2-CD1 3.95Å; F69-L128 HydrophobicContact CZ-CB 3.79Å; F69-L128 HydrophobicContact CZ-CD1 3.73Å; F69-L128 HydrophobicContact CZ-CG 4.42Å; I124-L128 HydrophobicContact CG2-CD1 4.2Å; I124-L128 VanDerWaalsContact O-CG 3.3Å; I124-L128 WeakPolarHBondContact O-CG 3.35Å; I124-L128 PolarHBondContact O-N 2.96Å; I124-L128 VanDerWaalsContact O-N 3.17Å; L125-L128 PolarHBondContact O-N 2.76Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 3.04Å; L128-N132 PolarHBondContact O-N 2.86Å; L128-N132 PolarHBondContact O-ND2 3.4Å
129	I	95.9	Very high	95	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-44.8	177.5	-68.7	165.8	0	0	0	110.7	F49 F62 F69 F70 L125 L126 D127 Q131 N132 L133 I139	F49-I129 HydrophobicContact CE1-CD1 3.95Å; F49-I129 HydrophobicContact CZ-CD1 4.48Å; F62-I129 HydrophobicContact CZ-CG2 4.04Å; F69-I129 HydrophobicContact CD1-CD1 4.39Å; F69-I129 HydrophobicContact CD1-CG1 4.13Å; F69-I129 HydrophobicContact CE1-CD1 4.17Å; F69-I129 HydrophobicContact CE1-CG1 3.93Å; F70-I129 HydrophobicContact CE1-CD1 3.84Å; F70-I129 HydrophobicContact CE2-CD1 4.3Å; F70-I129 HydrophobicContact CZ-CD1 3.41Å; F70-I129 VanDerWaalsContact CZ-CD1 3.41Å; L125-I129 WeakPolarHBondContact O-CB 3.06Å; L125-I129 WeakPolarHBondContact O-CD1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.3Å; L125-I129 PolarHBondContact O-N 3.07Å; L126-I129 PolarHBondContact O-N 3.13Å; L126-I129 VanDerWaalsContact O-N 3.17Å; D127-I129 PolarHBondContact O-N 3.28Å; I129-Q131 VanDerWaalsContact C-N 3.34Å; I129-Q131 PolarHBondContact O-N 2.9Å; I129-N132 CarbonylContact O-C 3.55Å; I129-N132 PolarHBondContact O-N 3.41Å; I129-L133 PolarHBondContact O-N 3.14Å; I129-L133 VanDerWaalsContact O-N 3.11Å; I129-I139 HydrophobicContact CG2-CD1 3.4Å; I129-I139 VanDerWaalsContact CG2-CD1 3.4Å
130	Y	95.8	Very high	95.1	Very high	110 Å²	110	67 Å²	67	43%	0.431	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-35.3	179	-79.3	-61.4	0	0	0	112.5	L126 D127 N132 L133 I141	L126-Y130 HydrophobicContact CB-CD2 4.17Å; L126-Y130 HydrophobicContact CB-CE2 4.17Å; L126-Y130 WeakPolarHBondContact O-CB 3.41Å; L126-Y130 WeakPolarHBondContact O-CD2 3.31Å; L126-Y130 PolarHBondContact O-N 3.39Å; D127-Y130 PolarHBondContact O-N 3.07Å; Y130-N132 VanDerWaalsContact C-N 3.25Å; Y130-N132 PolarHBondContact O-N 3.25Å; Y130-L133 HydrophobicContact CD1-CD2 4.33Å; Y130-L133 VanDerWaalsContact O-CB 3.32Å; Y130-L133 WeakPolarHBondContact O-CB 3.34Å; Y130-L133 PolarHBondContact O-N 2.99Å; Y130-I141 HydrophobicContact CE2-CD1 4.26Å; Y130-I141 WeakPolarHBondContact OH-CD1 3.36Å
131	Q	96.4	Very high	95.2	Very high	146 Å²	146	65 Å²	65	68%	0.682	35%	0.348	S	S	*	.	H	α-helix	trans	-63.6	-30.2	174	-76.9	170.8	13.1	0	0	113.1	D127 I129	D127-Q131 WeakPolarHBondContact O-CB 3.33Å; D127-Q131 WeakPolarHBondContact O-CG 3.36Å; D127-Q131 PolarHBondContact O-N 3.16Å; I129-Q131 VanDerWaalsContact C-N 3.34Å; I129-Q131 PolarHBondContact O-N 2.9Å
132	N	95.3	Very high	95.1	Very high	80 Å²	80	63.2 Å²	63.2	43%	0.428	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.3	-179.4	-68	-80.1	0	0	0	112.9	F62 Y65 L128 I129 Y130 S134	F62-N132 VanDerWaalsContact CE2-O 3.3Å; F62-N132 WeakPolarHBondContact CE2-O 3.5Å; Y65-N132 HydrophobicContact CE1-CB 3.71Å; Y65-N132 VanDerWaalsContact OH-CG 3.24Å; Y65-N132 PolarHBondContact OH-ND2 3.36Å; Y65-N132 VanDerWaalsContact OH-ND2 3.08Å; L128-N132 PolarHBondContact O-N 2.86Å; L128-N132 PolarHBondContact O-ND2 3.4Å; I129-N132 CarbonylContact O-C 3.55Å; I129-N132 PolarHBondContact O-N 3.41Å; Y130-N132 VanDerWaalsContact C-N 3.25Å; Y130-N132 PolarHBondContact O-N 3.25Å; N132-S134 PolarHBondContact O-N 3.45Å
133	L	95.2	Very high	95.1	Very high	60 Å²	60	70.7 Å²	70.7	31%	0.314	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-64.5	124.5	-177.2	-173.9	67.6	0	0	0	110.9	F62 I129 Y130 I137 I139	F62-L133 HydrophobicContact CE1-CD1 4.07Å; F62-L133 HydrophobicContact CE2-CD1 4.38Å; F62-L133 HydrophobicContact CZ-CD1 3.81Å; I129-L133 PolarHBondContact O-N 3.14Å; I129-L133 VanDerWaalsContact O-N 3.11Å; Y130-L133 HydrophobicContact CD1-CD2 4.33Å; Y130-L133 VanDerWaalsContact O-CB 3.32Å; Y130-L133 WeakPolarHBondContact O-CB 3.34Å; Y130-L133 PolarHBondContact O-N 2.99Å; L133-I137 HydrophobicContact CD1-CB 4.15Å; L133-I137 HydrophobicContact CD1-CG2 3.98Å; L133-I139 HydrophobicContact CD1-CD1 3.55Å; L133-I139 HydrophobicContact CD1-CG1 3.74Å
134	S	92.7	Very high	94.9	Very high	43 Å²	43	68.6 Å²	68.6	30%	0.301	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-73.5	154.7	176.2	-162.1	0	0	0	0	112.1	N132 G136 I137	N132-S134 PolarHBondContact O-N 3.45Å; S134-G136 PolarHBondContact O-N 3.23Å; S134-I137 PolarHBondContact O-N 3.42Å
135	S	91.9	Very high	94.7	Very high	87 Å²	87	67.8 Å²	67.8	61%	0.608	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	135.8	177.6	54.6	0	0	0	0	111.8	Q58 I137	Q58-S135 PolarHBondContact OE1-O 2.66Å; Q58-S135 PolarHBondContact OE1-OG 3.32Å; S135-I137 PolarHBondContact O-N 2.82Å
136	G	93.8	Very high	94.5	Very high	60 Å²	60	72.9 Å²	72.9	62%	0.619	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-0	176	0	0	0	0	0	115.2	S134	S134-G136 PolarHBondContact O-N 3.23Å
137	I	96.8	Very high	94.3	Very high	10 Å²	10	73.9 Å²	73.9	5%	0.051	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138	171.3	-59.8	-177.9	0	0	0	109.6	I51 R52 L59 F62 L133 S134 S135	I51-I137 HydrophobicContact CG2-CG2 3.46Å; I51-I137 VanDerWaalsContact CG2-CG2 3.46Å; R52-I137 CarbonylContact O-C 3.51Å; R52-I137 WeakPolarHBondContact O-CA 3.47Å; L59-I137 HydrophobicContact CD1-CG2 4.48Å; F62-I137 HydrophobicContact CB-CD1 3.34Å; F62-I137 HydrophobicContact CD1-CD1 3.82Å; F62-I137 HydrophobicContact CD1-CG2 3.95Å; F62-I137 HydrophobicContact CE1-CG2 4.17Å; F62-I137 HydrophobicContact CG-CD1 3.66Å; L133-I137 HydrophobicContact CD1-CB 4.15Å; L133-I137 HydrophobicContact CD1-CG2 3.98Å; S134-I137 PolarHBondContact O-N 3.42Å; S135-I137 PolarHBondContact O-N 2.82Å
138	K	96.5	Very high	94	Very high	132 Å²	132	69.9 Å²	69.9	57%	0.574	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.4	175.7	-64.3	178.3	-178	173.1	0	109.1	R52	R52-K138 PolarHBondContact N-O 3.25Å; R52-K138 PolarHBondContact O-N 2.89Å
139	I	96.2	Very high	93.8	Very high	22 Å²	22	69.2 Å²	69.2	11%	0.113	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.7	175.7	-56.6	178.7	0	0	0	108.6	F49 D50 I51 F62 I129 L133 I141	F49-I139 HydrophobicContact CD1-CG2 4.28Å; D50-I139 CarbonylContact O-C 3.56Å; D50-I139 WeakPolarHBondContact O-CA 3.37Å; I51-I139 HydrophobicContact CG1-CG1 4.33Å; I51-I139 HydrophobicContact CG2-CG1 4.44Å; F62-I139 HydrophobicContact CE1-CD1 3.68Å; F62-I139 HydrophobicContact CE1-CG1 4.28Å; F62-I139 HydrophobicContact CZ-CD1 3.74Å; I129-I139 HydrophobicContact CG2-CD1 3.4Å; I129-I139 VanDerWaalsContact CG2-CD1 3.4Å; L133-I139 HydrophobicContact CD1-CD1 3.55Å; L133-I139 HydrophobicContact CD1-CG1 3.74Å; I139-I141 HydrophobicContact CG2-CD1 4.22Å; I139-I141 HydrophobicContact CG2-CG1 4.11Å
140	H	95.6	Very high	93.5	Very high	112 Å²	112	76.4 Å²	76.4	52%	0.519	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.9	167.3	-176.1	65.5	0	0	0	109	D50	D50-H140 HydrophobicContact CB-CB 4.31Å; D50-H140 PolarHBondContact N-O 3.3Å; D50-H140 PolarHBondContact O-N 3.39Å
141	I	94.5	Very high	93.1	Very high	43 Å²	43	75.5 Å²	75.5	22%	0.221	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.7	-179.5	-60.5	128.3	0	0	0	108.2	V47 Q48 F49 L126 Y130 I139	V47-I141 HydrophobicContact CG1-CG2 3.77Å; Q48-I141 WeakPolarHBondContact O-CA 3.15Å; F49-I141 HydrophobicContact CD1-CD1 4.41Å; F49-I141 HydrophobicContact CD1-CG1 3.59Å; F49-I141 HydrophobicContact CE1-CD1 4.32Å; F49-I141 HydrophobicContact CE1-CG1 3.77Å; F49-I141 HydrophobicContact CG-CG1 4.38Å; L126-I141 HydrophobicContact CD1-CD1 4.05Å; L126-I141 HydrophobicContact CD2-CD1 3.32Å; L126-I141 HydrophobicContact CD2-CG1 3.99Å; L126-I141 HydrophobicContact CG-CD1 4.29Å; Y130-I141 HydrophobicContact CE2-CD1 4.26Å; Y130-I141 WeakPolarHBondContact OH-CD1 3.36Å; I139-I141 HydrophobicContact CG2-CD1 4.22Å; I139-I141 HydrophobicContact CG2-CG1 4.11Å
142	G	93.4	Very high	92.7	Very high	31 Å²	31	74.2 Å²	74.2	32%	0.32	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	-176	-179.5	0	0	0	0	0	112.6	Q48	Q48-G142 PolarHBondContact N-O 2.87Å; Q48-G142 PolarHBondContact O-N 2.81Å
143	K	92.8	Very high	92.3	Very high	180 Å²	180	77.3 Å²	77.3	78%	0.783	41%	0.41	S	S	*	.	S	Bend	trans	-65.9	151.3	166.3	-170.1	-179.6	175.3	-171.8	0	108.9	D145	K143-D145 PolarHBondContact O-N 2.95Å
144	T	92.1	Very high	91.7	Very high	26 Å²	26	80 Å²	80	16%	0.16	43%	0.428	C	S	.	.			trans	-54.8	128.8	168.9	-57.6	0	0	0	0	110.7	S46	S46-T144 WeakPolarHBondContact CB-OG1 3.28Å; S46-T144 WeakPolarHBondContact OG-CB 3.39Å; S46-T144 PolarHBondContact OG-OG1 3.08Å
145	D	91.3	Very high	91.3	Very high	75 Å²	75	82 Å²	82	40%	0.401	44%	0.44	S	S	.	.			trans	-110.7	113	174.5	-173.3	-0.1	0	0	0	108.4	R113 K143 S147 L148	R113-D145 PolarHBondContact NH2-O 2.83Å; K143-D145 PolarHBondContact O-N 2.95Å; D145-S147 VanDerWaalsContact C-N 3.27Å; D145-S147 PolarHBondContact O-N 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.37Å; D145-S147 PolarHBondContact OD1-N 3.38Å; D145-S147 PolarHBondContact OD1-OG 2.81Å; D145-S147 PolarHBondContact OD2-OG 3.3Å; D145-S147 VanDerWaalsContact OD2-OG 3.1Å; D145-L148 HydrophobicContact CB-CD1 3.99Å; D145-L148 HydrophobicContact CB-CG 4.22Å
146	D	90.3	Very high	91	Very high	116 Å²	116	83.7 Å²	83.7	62%	0.62	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.2	-175.5	-58.6	-27.2	0	0	0	111.4	L148 D149	D146-L148 PolarHBondContact O-N 2.68Å; D146-D149 WeakPolarHBondContact O-CB 3.43Å; D146-D149 PolarHBondContact O-N 3.33Å; D146-D149 VanDerWaalsContact O-N 3.1Å
147	S	90.7	Very high	90.8	Very high	54 Å²	54	86.5 Å²	86.5	38%	0.378	44%	0.439	S	S	.	.	H	α-helix	trans	-61.1	-29.9	176.5	64.1	0	0	0	0	112.6	D145 D149 E150 D151	D145-S147 VanDerWaalsContact C-N 3.27Å; D145-S147 PolarHBondContact O-N 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.37Å; D145-S147 PolarHBondContact OD1-N 3.38Å; D145-S147 PolarHBondContact OD1-OG 2.81Å; D145-S147 PolarHBondContact OD2-OG 3.3Å; D145-S147 VanDerWaalsContact OD2-OG 3.1Å; S147-D149 PolarHBondContact O-N 2.83Å; S147-E150 PolarHBondContact O-N 3.46Å; S147-D151 PolarHBondContact O-N 2.76Å
148	L	90.7	Very high	90.6	Very high	15 Å²	15	93.8 Å²	93.8	8%	0.079	47%	0.473	C	S	.	.	H	α-helix	trans	-70.8	-16.8	179.6	-59.5	173.5	0	0	0	113.2	L82 I111 D145 D146 E150 R152	L82-L148 HydrophobicContact CD1-CD2 4.3Å; I111-L148 HydrophobicContact CD1-CB 4.08Å; I111-L148 HydrophobicContact CD1-CD1 3.7Å; I111-L148 HydrophobicContact CD1-CG 4.41Å; D145-L148 HydrophobicContact CB-CD1 3.99Å; D145-L148 HydrophobicContact CB-CG 4.22Å; D146-L148 PolarHBondContact O-N 2.68Å; L148-E150 VanDerWaalsContact C-N 3.31Å; L148-R152 PolarHBondContact O-N 2.92Å
149	D	91	Very high	90.4	Very high	48 Å²	48	92.5 Å²	92.5	26%	0.257	47%	0.467	S	S	.	.	H	α-helix	trans	-72.6	-28.6	174.7	-68	-48	0	0	0	111.6	R113 D146 S147 R152 F153	R113-D149 IonicContact CZ-OD1 2.68Å; R113-D149 IonicContact CZ-OD2 3.53Å; R113-D149 VanDerWaalsContact CZ-OD2 3.31Å; R113-D149 IonicContact NH1-OD1 3.55Å; R113-D149 PolarHBondContact NH1-OD1 3.02Å; R113-D149 IonicContact NH1-OD2 2.76Å; R113-D149 PolarHBondContact NH1-OD2 2.77Å; R113-D149 VanDerWaalsContact NH2-CG 3.28Å; R113-D149 IonicContact NH2-OD1 3.06Å; R113-D149 PolarHBondContact NH2-OD1 2.75Å; R113-D149 IonicContact NH2-OD2 2.83Å; R113-D149 PolarHBondContact NH2-OD2 2.97Å; D146-D149 WeakPolarHBondContact O-CB 3.43Å; D146-D149 PolarHBondContact O-N 3.33Å; D146-D149 VanDerWaalsContact O-N 3.1Å; S147-D149 PolarHBondContact O-N 2.83Å; D149-R152 WeakPolarHBondContact O-CB 3.42Å; D149-F153 WeakPolarHBondContact O-CD2 3.47Å; D149-F153 VanDerWaalsContact O-CE2 3.24Å; D149-F153 WeakPolarHBondContact O-CE2 3.3Å
150	E	89.4	Confident	90.3	Very high	154 Å²	154	95.8 Å²	95.8	72%	0.72	48%	0.482	S	S	*	.	H	α-helix	trans	-73.3	-45.4	172.2	-59.8	-178	171.6	0	0	110.5	S147 L148 R152 F153	S147-E150 PolarHBondContact O-N 3.46Å; L148-E150 VanDerWaalsContact C-N 3.31Å; E150-R152 PolarHBondContact O-N 3.31Å; E150-R152 VanDerWaalsContact O-N 3.1Å; E150-F153 PolarHBondContact O-N 3.44Å
151	D	88.6	Confident	90.2	Very high	91 Å²	91	92.6 Å²	92.6	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-20.3	177.9	-73.1	-18.1	0	0	0	113.9	L82 P83 S147 F153	L82-D151 HydrophobicContact CD2-CB 4.15Å; P83-D151 VanDerWaalsContact CD-O 3.32Å; P83-D151 WeakPolarHBondContact CD-O 3.27Å; S147-D151 PolarHBondContact O-N 2.76Å; D151-F153 PolarHBondContact O-N 3.28Å
152	R	88.5	Confident	90.3	Very high	119 Å²	119	95.6 Å²	95.6	45%	0.449	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.6	174.2	178.5	-175.8	172	171.8	-1.1	111.7	F80 L82 L148 D149 E150	F80-R152 HydrophobicContact CD2-CB 4.36Å; F80-R152 HydrophobicContact CD2-CG 4.21Å; L82-R152 HydrophobicContact CD2-CB 4.43Å; L148-R152 PolarHBondContact O-N 2.92Å; D149-R152 WeakPolarHBondContact O-CB 3.42Å; E150-R152 PolarHBondContact O-N 3.31Å; E150-R152 VanDerWaalsContact O-N 3.1Å
153	F	87	Confident	90.3	Very high	145 Å²	145	99 Å²	99	64%	0.636	50%	0.499	S	S	*	.	S	Bend	trans	-88.6	134.4	-173.8	-61.6	-71.5	0	0	0	110.9	D149 E150 D151	D149-F153 WeakPolarHBondContact O-CD2 3.47Å; D149-F153 VanDerWaalsContact O-CE2 3.24Å; D149-F153 WeakPolarHBondContact O-CE2 3.3Å; E150-F153 PolarHBondContact O-N 3.44Å; D151-F153 PolarHBondContact O-N 3.28Å
154	V	82.3	Confident	90.5	Very high	116 Å²	116	95 Å²	95	70%	0.703	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-73.5	128.6	172.4	-178.5	0	0	0	0	108.2	Q156	V154-Q156 PolarHBondContact O-N 3.08Å
155	P	83.4	Confident	90.6	Very high	85 Å²	85	99.2 Å²	99.2	55%	0.552	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60	132.7	178.5	23.3	-32.9	0	0	0	110.8	L157	P155-L157 VanDerWaalsContact C-N 3.28Å; P155-L157 HydrophobicContact CB-CD2 4.31Å; P155-L157 PolarHBondContact O-N 3.41Å
156	Q	86.7	Confident	90.9	Very high	123 Å²	123	100.8 Å²	100.8	58%	0.575	51%	0.512	S	S	*	.			trans	-86.4	67.8	-179.8	-66	-176.2	-18	0	0	110.4	V154 E158 K159 E160	V154-Q156 PolarHBondContact O-N 3.08Å; Q156-E158 PolarHBondContact O-N 3Å; Q156-E158 VanDerWaalsContact O-N 3.13Å; Q156-K159 HydrophobicContact CB-CB 3.89Å; Q156-K159 WeakPolarHBondContact O-CB 3.4Å; Q156-K159 PolarHBondContact O-N 2.87Å; Q156-E160 PolarHBondContact O-N 2.87Å; Q156-E160 VanDerWaalsContact O-N 3.07Å
157	L	89.5	Confident	91.1	Very high	119 Å²	119	97.9 Å²	97.9	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-54.8	-35	-175.4	-61.2	175.6	0	0	0	113.2	P155 A161	P155-L157 VanDerWaalsContact C-N 3.28Å; P155-L157 HydrophobicContact CB-CD2 4.31Å; P155-L157 PolarHBondContact O-N 3.41Å; L157-A161 WeakPolarHBondContact O-CB 3.34Å; L157-A161 PolarHBondContact O-N 3.26Å
158	E	92.1	Very high	91.3	Very high	164 Å²	164	102.5 Å²	102.5	77%	0.766	51%	0.513	S	S	*	.	H	α-helix	trans	-67.2	-42.4	177.4	-64.4	-179.9	176.2	0	0	112.2	Q156 E160 A161 L162	Q156-E158 PolarHBondContact O-N 3Å; Q156-E158 VanDerWaalsContact O-N 3.13Å; E158-E160 VanDerWaalsContact C-N 3.34Å; E158-A161 PolarHBondContact O-N 3.13Å; E158-L162 VanDerWaalsContact O-CG 3.3Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.33Å
159	K	92.3	Very high	91.4	Very high	104 Å²	104	108.2 Å²	108.2	45%	0.452	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-45.1	176.8	-179.1	-173.3	167.1	-168.9	0	110.2	Q156 A161 L162 E163	Q156-K159 HydrophobicContact CB-CB 3.89Å; Q156-K159 WeakPolarHBondContact O-CB 3.4Å; Q156-K159 PolarHBondContact O-N 2.87Å; K159-A161 VanDerWaalsContact C-N 3.32Å; K159-A161 PolarHBondContact O-N 2.86Å; K159-L162 PolarHBondContact O-N 3.47Å; K159-E163 WeakPolarHBondContact CE-OE1 3.47Å; K159-E163 IonicContact NZ-OE1 3.02Å; K159-E163 WeakPolarHBondContact O-CG 3.45Å; K159-E163 PolarHBondContact O-N 3.46Å
160	E	93.3	Very high	91.1	Very high	92 Å²	92	114.7 Å²	114.7	43%	0.43	57%	0.569	S	S	.	*	H	α-helix	trans	-61.6	-41.1	176.2	-67.9	172	-168.7	0	0	111.5	Q156 E158 E163 N164	Q156-E160 PolarHBondContact O-N 2.87Å; Q156-E160 VanDerWaalsContact O-N 3.07Å; E158-E160 VanDerWaalsContact C-N 3.34Å; E160-E163 PolarHBondContact O-N 2.93Å; E160-N164 WeakPolarHBondContact O-CB 3.29Å; E160-N164 PolarHBondContact O-N 3.45Å; E160-N164 PolarHBondContact O-ND2 3.14Å
161	A	94.9	Very high	90.2	Very high	45 Å²	45	118.7 Å²	118.7	37%	0.372	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-45.4	175.1	0	0	0	0	0	111.9	L157 E158 K159 N164 E165	L157-A161 WeakPolarHBondContact O-CB 3.34Å; L157-A161 PolarHBondContact O-N 3.26Å; E158-A161 PolarHBondContact O-N 3.13Å; K159-A161 VanDerWaalsContact C-N 3.32Å; K159-A161 PolarHBondContact O-N 2.86Å; A161-N164 WeakPolarHBondContact O-CB 3.49Å; A161-N164 PolarHBondContact O-N 2.79Å; A161-E165 WeakPolarHBondContact O-CG 3.4Å; A161-E165 PolarHBondContact O-N 2.99Å
162	L	95.2	Very high	90.3	Very high	105 Å²	105	120.1 Å²	120.1	55%	0.55	59%	0.59	S	S	.	*	H	α-helix	trans	-64.8	-41.3	177.2	-70.3	170.8	0	0	0	112.4	E158 K159 N164 E165 L166	E158-L162 VanDerWaalsContact O-CG 3.3Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.33Å; K159-L162 PolarHBondContact O-N 3.47Å; L162-N164 VanDerWaalsContact C-N 3.31Å; L162-N164 PolarHBondContact O-N 3.44Å; L162-E165 PolarHBondContact O-N 2.92Å; L162-L166 WeakPolarHBondContact O-CB 3.47Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.88Å
163	E	95.1	Very high	90.4	Very high	104 Å²	104	120.2 Å²	120.2	49%	0.486	60%	0.597	S	S	.	*	H	α-helix	trans	-62.5	-39.4	174.3	-74.3	177.1	175.6	0	0	111.5	K159 E160 L166 S167	K159-E163 WeakPolarHBondContact CE-OE1 3.47Å; K159-E163 IonicContact NZ-OE1 3.02Å; K159-E163 WeakPolarHBondContact O-CG 3.45Å; K159-E163 PolarHBondContact O-N 3.46Å; E160-E163 PolarHBondContact O-N 2.93Å; E163-L166 PolarHBondContact O-N 2.98Å; E163-S167 WeakPolarHBondContact O-CB 3.46Å; E163-S167 PolarHBondContact O-N 3.45Å; E163-S167 PolarHBondContact O-OG 3.07Å
164	N	95.5	Very high	90.6	Very high	94 Å²	94	118.8 Å²	118.8	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-66.4	-36	174.6	-73.7	-34.8	0	0	0	112.6	E160 A161 L162 S167 K168	E160-N164 WeakPolarHBondContact O-CB 3.29Å; E160-N164 PolarHBondContact O-N 3.45Å; E160-N164 PolarHBondContact O-ND2 3.14Å; A161-N164 WeakPolarHBondContact O-CB 3.49Å; A161-N164 PolarHBondContact O-N 2.79Å; L162-N164 VanDerWaalsContact C-N 3.31Å; L162-N164 PolarHBondContact O-N 3.44Å; N164-S167 PolarHBondContact O-OG 3.39Å; N164-K168 VanDerWaalsContact O-CG 3.31Å; N164-K168 WeakPolarHBondContact O-CG 3.48Å; N164-K168 PolarHBondContact O-N 3.1Å
165	E	95.7	Very high	91.1	Very high	115 Å²	115	118.9 Å²	118.9	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-69.8	-45.6	173.6	-73	178.9	177	0	0	111.9	A161 L162 S167 K168 L169	A161-E165 WeakPolarHBondContact O-CG 3.4Å; A161-E165 PolarHBondContact O-N 2.99Å; L162-E165 PolarHBondContact O-N 2.92Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3.48Å; E165-K168 WeakPolarHBondContact O-CB 3.5Å; E165-K168 PolarHBondContact O-N 2.76Å; E165-L169 PolarHBondContact O-N 3.39Å
166	L	96	Very high	91.5	Very high	109 Å²	109	121.1 Å²	121.1	57%	0.571	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-37.3	178.4	-74.2	176.6	0	0	0	112.8	L162 E163 K168 L169 K170	L162-L166 WeakPolarHBondContact O-CB 3.47Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.88Å; E163-L166 PolarHBondContact O-N 2.98Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-L169 PolarHBondContact O-N 2.8Å; L166-K170 PolarHBondContact O-N 3.04Å
167	S	95.3	Very high	91.9	Very high	54 Å²	54	120.9 Å²	120.9	38%	0.378	59%	0.592	S	S	.	*	H	α-helix	trans	-66	-34.1	176.7	61	0	0	0	0	112.8	E163 N164 E165 L169 K170 F171	E163-S167 WeakPolarHBondContact O-CB 3.46Å; E163-S167 PolarHBondContact O-N 3.45Å; E163-S167 PolarHBondContact O-OG 3.07Å; N164-S167 PolarHBondContact O-OG 3.39Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3.48Å; S167-L169 VanDerWaalsContact C-N 3.3Å; S167-L169 PolarHBondContact O-N 3.2Å; S167-K170 PolarHBondContact O-N 3.24Å; S167-F171 WeakPolarHBondContact O-CD2 3.37Å
168	K	95	Very high	92	Very high	151 Å²	151	121.1 Å²	121.1	66%	0.657	59%	0.59	S	S	*	*	H	α-helix	trans	-66.8	-30	174.5	-69.7	168.5	-172.9	173.6	0	112.8	N164 E165 L166	N164-K168 VanDerWaalsContact O-CG 3.31Å; N164-K168 WeakPolarHBondContact O-CG 3.48Å; N164-K168 PolarHBondContact O-N 3.1Å; E165-K168 WeakPolarHBondContact O-CB 3.5Å; E165-K168 PolarHBondContact O-N 2.76Å; L166-K168 VanDerWaalsContact C-N 3.33Å
169	L	93.6	Very high	92	Very high	136 Å²	136	117.8 Å²	117.8	71%	0.712	58%	0.576	S	S	*	*	H	α-helix	trans	-83.4	-13	179.8	-63.9	177.3	0	0	0	114.1	E165 L166 S167 F171	E165-L169 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 2.8Å; S167-L169 VanDerWaalsContact C-N 3.3Å; S167-L169 PolarHBondContact O-N 3.2Å; L169-F171 VanDerWaalsContact C-N 3.28Å
170	K	84.9	Confident	92	Very high	183 Å²	183	118.9 Å²	118.9	80%	0.796	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-8.2	178.4	-79.6	-176.5	178.1	179.8	0	113.8	L166 S167	L166-K170 PolarHBondContact O-N 3.04Å; S167-K170 PolarHBondContact O-N 3.24Å
171	F	69.7	Low	91.9	Very high	239 Å²	239	121.4 Å²	121.4	100%	1.048	60%	0.601	S	S	*	*			trans	-101.4	0	171.4	-64.1	-78.9	0	0	0	109.9	S167 L169	S167-F171 WeakPolarHBondContact O-CD2 3.37Å; L169-F171 VanDerWaalsContact C-N 3.28Å

Retrieved 171 of 171 residues in 119.2 ms (Link to these results)

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