A0A087XH36_POEFO Loading...

F-box only protein 6-like

AlphaFold DB , UniProt , Accession A0A087XH36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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	36.9	Very low	35.1	Very low	244 Å²	244	174.7 Å²	174.7	100%	1.202	87%	0.872	S	S	*	*				0	128	0	-96.6	172	165.2	0	0	109.6
2	K	31.4	Very low	34.8	Very low	199 Å²	199	170.4 Å²	170.4	87%	0.865	87%	0.871	S	S	*	*			trans	1.2	131.1	164.8	-56.1	175	177	174.8	0	118.3
3	R	31	Very low	34.6	Very low	233 Å²	233	172.8 Å²	172.8	88%	0.879	87%	0.865	S	S	*	*				-177.5	132.8	89.3	-96	178.1	173.1	164.8	-2.6	112
4	K	39.8	Very low	34.5	Very low	211 Å²	211	167.9 Å²	167.9	92%	0.917	86%	0.855	S	S	*	*			trans	-68.8	145.1	160.4	-78	177	171.2	178.5	0	109.4
5	T	34.8	Very low	34.6	Very low	143 Å²	143	165.1 Å²	165.1	88%	0.877	85%	0.849	S	S	*	*			trans	-143.4	137	155.1	2.6	0	0	0	0	110.9
6	R	36.8	Very low	34.8	Very low	229 Å²	229	163.8 Å²	163.8	86%	0.864	84%	0.844	S	S	*	*			trans	-70.6	165.3	-170.5	-76.9	175.6	173	-179.1	-3.8	113.6
7	P	35.5	Very low	35.1	Very low	128 Å²	128	160.1 Å²	160.1	83%	0.831	84%	0.835	S	S	*	*			trans	-74.8	143.8	176.8	32.8	-34	0	0	0	110.9
8	I	37.2	Very low	35.5	Very low	163 Å²	163	158.2 Å²	158.2	84%	0.836	83%	0.834	S	S	*	*			trans	-108.4	120.8	171.1	-63.9	176.2	0	0	0	107.8	G10	I8-G10 PolarHBondContact O-N 3.5Å
9	M	37.3	Very low	35.9	Very low	196 Å²	196	155.4 Å²	155.4	97%	0.966	83%	0.829	S	S	*	*			trans	-69	118.9	171.4	-157.5	177.2	-78.9	0	0	107.8
10	G	32.4	Very low	36.3	Very low	65 Å²	65	153.5 Å²	153.5	67%	0.67	83%	0.826	S	S	*	*			trans	-126.4	101.6	-178.4	0	0	0	0	0	110.6	I8	I8-G10 PolarHBondContact O-N 3.5Å
11	T	33.1	Very low	36.7	Very low	111 Å²	111	154.1 Å²	154.1	68%	0.681	83%	0.827	S	S	*	*			trans	0.8	122.1	157.3	44	0	0	0	0	118.5	Y13	T11-Y13 PolarHBondContact O-N 3.26Å
12	S	31.7	Very low	36.9	Very low	123 Å²	123	153.7 Å²	153.7	86%	0.86	81%	0.812	S	S	*	*			trans	-57.7	111.4	165.1	53.2	0	0	0	0	112
13	Y	31.3	Very low	38	Very low	202 Å²	202	149.3 Å²	149.3	79%	0.792	81%	0.807	S	S	*	*			trans	-91.2	105	160.8	-75.2	-82.7	0	0	0	108.3	T11 V15	T11-Y13 PolarHBondContact O-N 3.26Å; Y13-V15 PolarHBondContact O-N 3.12Å; Y13-V15 VanDerWaalsContact O-N 3.12Å
14	S	33.5	Very low	38.8	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	80%	0.801	S	S	*	*			trans	-65	104	167.3	179	0	0	0	0	108.2	N16	S14-N16 PolarHBondContact O-N 2.98Å; S14-N16 VanDerWaalsContact O-N 3.16Å
15	V	36.2	Very low	39.4	Very low	126 Å²	126	136.7 Å²	136.7	76%	0.764	79%	0.792	S	S	*	*			trans	-70.3	106	165.4	179.8	0	0	0	0	106.3	Y13 S17	Y13-V15 PolarHBondContact O-N 3.12Å; Y13-V15 VanDerWaalsContact O-N 3.12Å; V15-S17 PolarHBondContact O-N 3.16Å
16	N	37.9	Very low	40.3	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	79%	0.786	S	S	*	*			trans	-62.3	101.8	170.6	-85.2	-14	0	0	0	108.9	S14	S14-N16 PolarHBondContact O-N 2.98Å; S14-N16 VanDerWaalsContact O-N 3.16Å
17	S	39.9	Very low	41.1	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-59.2	132.4	161.5	-57.5	0	0	0	0	108.8	V15 S19	V15-S17 PolarHBondContact O-N 3.16Å; S17-S19 PolarHBondContact O-N 3.2Å
18	P	41.8	Very low	42.4	Very low	126 Å²	126	132.7 Å²	132.7	82%	0.818	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.1	122.5	173.3	20.2	-21.5	0	0	0	108.8
19	S	43.3	Very low	43.6	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-50.4	137.6	173.3	-54.6	0	0	0	0	110.2	S17 I21	S17-S19 PolarHBondContact O-N 3.2Å; S19-I21 PolarHBondContact O-N 2.86Å
20	P	43.7	Very low	45.3	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.6	172.8	26.1	-31.4	0	0	0	108.2	R22	P20-R22 PolarHBondContact O-N 3.27Å
21	I	44.3	Very low	47.8	Very low	168 Å²	168	127.1 Å²	127.1	86%	0.862	75%	0.745	S	S	*	*			trans	-53.7	105	169.1	-63.2	169.4	0	0	0	106.1	S19 S23	S19-I21 PolarHBondContact O-N 2.86Å; I21-S23 PolarHBondContact O-N 3.05Å
22	R	42.5	Very low	50.5	Low	234 Å²	234	125.2 Å²	125.2	88%	0.883	73%	0.734	S	S	*	*			trans	-62	108.1	167.6	-80.2	-177.3	173.9	-161.3	-2	105.7	P20 S24	P20-R22 PolarHBondContact O-N 3.27Å; R22-S24 PolarHBondContact O-N 3.01Å
23	S	53.1	Low	53.4	Low	107 Å²	107	123 Å²	123	75%	0.748	71%	0.713	S	S	*	*			trans	-56.1	115.8	160.8	63.3	0	0	0	0	105.9	I21 G25	I21-S23 PolarHBondContact O-N 3.05Å; S23-G25 PolarHBondContact O-N 2.79Å
24	S	48.1	Very low	56.3	Low	109 Å²	109	118.2 Å²	118.2	76%	0.762	70%	0.701	S	S	*	*			trans	-60.4	91.7	165.5	49	0	0	0	0	106.8	R22 E26	R22-S24 PolarHBondContact O-N 3.01Å; S24-E26 PolarHBondContact O-N 2.85Å
25	G	52.6	Low	59.1	Low	70 Å²	70	117.1 Å²	117.1	72%	0.722	69%	0.686	S	S	*	*			trans	-70.2	77	169	0	0	0	0	0	107.7	S23	S23-G25 PolarHBondContact O-N 2.79Å
26	E	54.8	Low	61.8	Low	163 Å²	163	111.2 Å²	111.2	76%	0.762	65%	0.65	S	S	*	*			trans	-57.3	133.7	158.3	-74.8	-165.3	157.6	0	0	107.3	S24 V28	S24-E26 PolarHBondContact O-N 2.85Å; E26-V28 PolarHBondContact O-N 2.87Å
27	P	52.1	Low	64.6	Low	118 Å²	118	106.4 Å²	106.4	77%	0.766	62%	0.623	S	S	*	*			trans	-63.9	104	174.1	25.7	-30.1	0	0	0	107.1	I29	P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.86Å
28	V	63.5	Low	67.2	Low	135 Å²	135	105.3 Å²	105.3	82%	0.818	61%	0.606	S	S	*	*			trans	-59	103.8	167.8	-179.9	0	0	0	0	105.5	E26 P30	E26-V28 PolarHBondContact O-N 2.87Å; V28-P30 WeakPolarHBondContact O-CD 3.34Å; V28-P30 VanDerWaalsContact O-N 3.14Å
29	I	63.6	Low	69.8	Low	145 Å²	145	103 Å²	103	74%	0.744	59%	0.586	S	S	*	*			trans	-56.6	122.2	174.2	-61.2	173.3	0	0	0	105.5	P27 L31	P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.86Å; I29-L31 PolarHBondContact O-N 2.98Å
30	P	72.8	Confident	72.3	Confident	93 Å²	93	98 Å²	98	60%	0.604	55%	0.551	S	S	*	*			trans	-61.3	111.4	178.3	-11	21.7	0	0	0	107.5	V28	V28-P30 WeakPolarHBondContact O-CD 3.34Å; V28-P30 VanDerWaalsContact O-N 3.14Å
31	L	83.4	Confident	74.8	Confident	69 Å²	69	93.2 Å²	93.2	36%	0.361	52%	0.519	S	S	.	.			trans	-60.7	132.6	176.5	-168.9	72.8	0	0	0	108.1	I29 I35 L36 I39 Q58	I29-L31 PolarHBondContact O-N 2.98Å; L31-I35 HydrophobicContact CD1-CB 4.28Å; L31-I35 HydrophobicContact CD1-CG2 3.92Å; L31-I35 HydrophobicContact CD2-CB 4.29Å; L31-I35 HydrophobicContact CD2-CG2 3.98Å; L31-I35 HydrophobicContact CG-CB 4.07Å; L31-I35 HydrophobicContact CG-CG2 4.07Å; L31-L36 HydrophobicContact CD2-CB 4.1Å; L31-L36 HydrophobicContact CD2-CD1 4.25Å; L31-I39 HydrophobicContact CD2-CD1 3.56Å; L31-Q58 PolarHBondContact O-NE2 3.09Å
32	P	91.1	Very high	77.3	Confident	71 Å²	71	90.7 Å²	90.7	46%	0.461	51%	0.508	S	S	.	.			trans	-53	143.7	173.4	-28.6	37.5	0	0	0	111.9	D34 I35 L36	P32-D34 VanDerWaalsContact C-N 3.29Å; P32-D34 WeakPolarHBondContact CB-OD1 3.41Å; P32-D34 PolarHBondContact O-N 3.09Å; P32-I35 HydrophobicContact CB-CG1 4.16Å; P32-I35 HydrophobicContact CG-CG1 4.48Å; P32-I35 PolarHBondContact O-N 3.25Å; P32-L36 PolarHBondContact O-N 2.93Å
33	L	91.3	Very high	79.8	Confident	78 Å²	78	81.9 Å²	81.9	41%	0.408	48%	0.478	S	S	.	.	H	α-helix	trans	-64.1	-34	-172.8	-66.1	178.8	0	0	0	112.6	L36 E37 Q58 V62	L33-L36 PolarHBondContact O-N 3.37Å; L33-E37 WeakPolarHBondContact O-CB 3.42Å; L33-E37 WeakPolarHBondContact O-CG 3.33Å; L33-E37 PolarHBondContact O-N 2.99Å; L33-Q58 HydrophobicContact CD2-CG 3.57Å; L33-V62 HydrophobicContact CB-CG2 4.35Å; L33-V62 HydrophobicContact CD2-CG2 3.74Å
34	D	92	Very high	81.9	Confident	101 Å²	101	80.5 Å²	80.5	54%	0.54	47%	0.466	S	S	.	.	H	α-helix	trans	-63.6	-41.7	175.4	58.3	-40.9	0	0	0	112.2	P32 E37 E38	P32-D34 VanDerWaalsContact C-N 3.29Å; P32-D34 WeakPolarHBondContact CB-OD1 3.41Å; P32-D34 PolarHBondContact O-N 3.09Å; D34-E37 WeakPolarHBondContact O-CB 3.3Å; D34-E37 PolarHBondContact O-N 3.48Å; D34-E38 PolarHBondContact O-N 3.36Å
35	I	93	Very high	84.1	Confident	80 Å²	80	75.5 Å²	75.5	41%	0.41	43%	0.431	S	S	.	.	H	α-helix	trans	-68.7	-39.2	174.6	-54	-61.1	0	0	0	110.5	L31 P32 E38 I39	L31-I35 HydrophobicContact CD1-CB 4.28Å; L31-I35 HydrophobicContact CD1-CG2 3.92Å; L31-I35 HydrophobicContact CD2-CB 4.29Å; L31-I35 HydrophobicContact CD2-CG2 3.98Å; L31-I35 HydrophobicContact CG-CB 4.07Å; L31-I35 HydrophobicContact CG-CG2 4.07Å; P32-I35 HydrophobicContact CB-CG1 4.16Å; P32-I35 HydrophobicContact CG-CG1 4.48Å; P32-I35 PolarHBondContact O-N 3.25Å; I35-E38 PolarHBondContact O-N 3.09Å; I35-I39 HydrophobicContact CG2-CD1 4.38Å; I35-I39 WeakPolarHBondContact O-CG1 3.41Å; I35-I39 PolarHBondContact O-N 3.11Å
36	L	93.8	Very high	86	Confident	3 Å²	3	77.9 Å²	77.9	2%	0.016	42%	0.424	C	S	.	.	H	α-helix	trans	-65.8	-39.2	175.7	-172.7	59.5	0	0	0	112.1	L31 P32 L33 I39 F40 Q58 W59 V62	L31-L36 HydrophobicContact CD2-CB 4.1Å; L31-L36 HydrophobicContact CD2-CD1 4.25Å; P32-L36 PolarHBondContact O-N 2.93Å; L33-L36 PolarHBondContact O-N 3.37Å; L36-I39 PolarHBondContact O-N 3.01Å; L36-F40 HydrophobicContact CD1-CD1 4.06Å; L36-F40 HydrophobicContact CD1-CE1 3.49Å; L36-F40 VanDerWaalsContact CD1-CE1 3.49Å; L36-F40 HydrophobicContact CD1-CZ 3.88Å; L36-F40 HydrophobicContact CD2-CZ 4.39Å; L36-F40 HydrophobicContact CG-CD1 4.47Å; L36-F40 HydrophobicContact CG-CE1 4.06Å; L36-F40 HydrophobicContact CG-CZ 4.07Å; L36-F40 WeakPolarHBondContact O-CD1 3.49Å; L36-F40 WeakPolarHBondContact O-CG 3.48Å; L36-F40 PolarHBondContact O-N 3.35Å; L36-Q58 HydrophobicContact CD2-CG 4.29Å; L36-W59 HydrophobicContact CD1-CD2 4.46Å; L36-W59 HydrophobicContact CD1-CZ2 4.36Å; L36-W59 VanDerWaalsContact CD2-CD1 3.47Å; L36-W59 HydrophobicContact CD2-CG 4.07Å; L36-V62 HydrophobicContact CB-CG2 4.31Å; L36-V62 HydrophobicContact CD2-CB 4.3Å; L36-V62 HydrophobicContact CD2-CG2 3.81Å; L36-V62 HydrophobicContact CG-CB 4.44Å; L36-V62 HydrophobicContact CG-CG1 4.42Å; L36-V62 HydrophobicContact CG-CG2 4.13Å
37	E	95.2	Very high	88	Confident	43 Å²	43	75.9 Å²	75.9	20%	0.201	41%	0.41	C	S	.	.	H	α-helix	trans	-57.2	-49.2	170.9	-85.3	-174.3	-168.8	0	0	110.5	L33 D34 I39 F40 L41 V62 S67 F68	L33-E37 WeakPolarHBondContact O-CB 3.42Å; L33-E37 WeakPolarHBondContact O-CG 3.33Å; L33-E37 PolarHBondContact O-N 2.99Å; D34-E37 WeakPolarHBondContact O-CB 3.3Å; D34-E37 PolarHBondContact O-N 3.48Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 2.93Å; E37-F40 PolarHBondContact O-N 2.99Å; E37-F40 VanDerWaalsContact O-N 3.12Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.38Å; E37-L41 PolarHBondContact O-N 3.35Å; E37-V62 HydrophobicContact CB-CG1 4.22Å; E37-V62 HydrophobicContact CG-CB 4.46Å; E37-V62 HydrophobicContact CG-CG1 3.42Å; E37-V62 VanDerWaalsContact CG-CG1 3.42Å; E37-V62 HydrophobicContact CG-CG2 4.4Å; E37-S67 PolarHBondContact OE1-OG 3.04Å; E37-S67 PolarHBondContact OE2-OG 3.32Å; E37-F68 HydrophobicContact CG-CB 4.24Å; E37-F68 HydrophobicContact CG-CD2 4.47Å
38	E	95.9	Very high	90.1	Very high	76 Å²	76	70.3 Å²	70.3	36%	0.355	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-43.2	177.9	-171.1	57	-138.7	0	0	112.1	D34 I35 F40 L41 N42 R75	D34-E38 PolarHBondContact O-N 3.36Å; I35-E38 PolarHBondContact O-N 3.09Å; E38-F40 PolarHBondContact O-N 3.19Å; E38-L41 PolarHBondContact O-N 3.03Å; E38-N42 PolarHBondContact O-N 3.26Å; E38-N42 PolarHBondContact O-ND2 2.77Å; E38-N42 PolarHBondContact OE1-ND2 3.34Å; E38-R75 IonicContact OE1-CZ 3.78Å; E38-R75 IonicContact OE1-NH1 2.67Å; E38-R75 PolarHBondContact OE1-NH1 2.94Å; E38-R75 IonicContact OE1-NH2 2.71Å; E38-R75 PolarHBondContact OE1-NH2 3.37Å; E38-R75 IonicContact OE2-CZ 3.52Å; E38-R75 IonicContact OE2-NH1 3.35Å; E38-R75 IonicContact OE2-NH2 3.6Å; E38-R75 PolarHBondContact OE2-NH2 2.72Å
39	I	95.4	Very high	91.6	Very high	77 Å²	77	65.5 Å²	65.5	40%	0.395	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-49	174.1	-67.8	168.3	0	0	0	110.1	L31 I35 L36 E37 L41 N42 L43	L31-I39 HydrophobicContact CD2-CD1 3.56Å; I35-I39 HydrophobicContact CG2-CD1 4.38Å; I35-I39 WeakPolarHBondContact O-CG1 3.41Å; I35-I39 PolarHBondContact O-N 3.11Å; L36-I39 PolarHBondContact O-N 3.01Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 2.93Å; I39-L41 VanDerWaalsContact C-N 3.27Å; I39-L41 PolarHBondContact O-N 3.45Å; I39-N42 PolarHBondContact O-N 3.42Å; I39-N42 VanDerWaalsContact O-N 3.09Å; I39-L43 HydrophobicContact CG2-CD1 4.47Å; I39-L43 PolarHBondContact O-N 2.87Å
40	F	96.7	Very high	93	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-29	-178.4	-75.5	12.9	0	0	0	113	L36 E37 E38 N42 L43 V48 C52 W59 V62 A63 F68 R72	L36-F40 HydrophobicContact CD1-CD1 4.06Å; L36-F40 HydrophobicContact CD1-CE1 3.49Å; L36-F40 VanDerWaalsContact CD1-CE1 3.49Å; L36-F40 HydrophobicContact CD1-CZ 3.88Å; L36-F40 HydrophobicContact CD2-CZ 4.39Å; L36-F40 HydrophobicContact CG-CD1 4.47Å; L36-F40 HydrophobicContact CG-CE1 4.06Å; L36-F40 HydrophobicContact CG-CZ 4.07Å; L36-F40 WeakPolarHBondContact O-CD1 3.49Å; L36-F40 WeakPolarHBondContact O-CG 3.48Å; L36-F40 PolarHBondContact O-N 3.35Å; E37-F40 PolarHBondContact O-N 2.99Å; E37-F40 VanDerWaalsContact O-N 3.12Å; E38-F40 PolarHBondContact O-N 3.19Å; F40-N42 PolarHBondContact O-N 3.39Å; F40-L43 HydrophobicContact CD1-CD1 3.92Å; F40-L43 HydrophobicContact CE1-CD1 4.47Å; F40-L43 PolarHBondContact O-N 2.94Å; F40-L43 VanDerWaalsContact O-N 3.11Å; F40-V48 HydrophobicContact CB-CG1 4.4Å; F40-V48 HydrophobicContact CB-CG2 4.06Å; F40-V48 HydrophobicContact CD2-CG1 3.65Å; F40-V48 HydrophobicContact CE2-CG1 4.24Å; F40-V48 HydrophobicContact CG-CG1 4.23Å; F40-V48 HydrophobicContact CG-CG2 4.28Å; F40-C52 HydrophobicContact CE1-CB 3.99Å; F40-C52 HydrophobicContact CE2-CB 4Å; F40-C52 HydrophobicContact CZ-CB 3.62Å; F40-W59 HydrophobicContact CE1-CD2 4.08Å; F40-W59 AromaticContact CE1-CE3 3.83Å; F40-W59 HydrophobicContact CE1-CE3 3.83Å; F40-W59 HydrophobicContact CE1-CZ3 4.08Å; F40-W59 HydrophobicContact CE2-CB 4.41Å; F40-W59 HydrophobicContact CZ-CB 3.89Å; F40-W59 AromaticContact CZ-CD2 3.67Å; F40-W59 HydrophobicContact CZ-CD2 3.67Å; F40-W59 AromaticContact CZ-CE3 3.57Å; F40-W59 HydrophobicContact CZ-CE3 3.57Å; F40-W59 AromaticContact CZ-CG 3.84Å; F40-W59 HydrophobicContact CZ-CG 3.84Å; F40-W59 HydrophobicContact CZ-CZ3 4.28Å; F40-V62 HydrophobicContact CD2-CB 4.25Å; F40-V62 HydrophobicContact CD2-CG1 3.58Å; F40-V62 HydrophobicContact CE2-CB 4.06Å; F40-V62 HydrophobicContact CE2-CG1 3.89Å; F40-V62 HydrophobicContact CG-CG1 4.3Å; F40-A63 HydrophobicContact CD2-CB 4.45Å; F40-A63 HydrophobicContact CE2-CB 4.1Å; F40-F68 HydrophobicContact CB-CD2 4.21Å; F40-F68 HydrophobicContact CB-CE2 3.4Å; F40-F68 HydrophobicContact CB-CZ 3.71Å; F40-R72 PolarHBondContact O-NH1 2.98Å
41	L	96.3	Very high	94.2	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.089	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-28.4	176.5	-74.2	167.6	0	0	0	111.2	E37 E38 I39 F68 E71 R72	E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.38Å; E37-L41 PolarHBondContact O-N 3.35Å; E38-L41 PolarHBondContact O-N 3.03Å; I39-L41 VanDerWaalsContact C-N 3.27Å; I39-L41 PolarHBondContact O-N 3.45Å; L41-F68 HydrophobicContact CB-CE2 4.44Å; L41-F68 HydrophobicContact CD2-CD2 3.87Å; L41-F68 HydrophobicContact CD2-CE2 3.7Å; L41-F68 HydrophobicContact CG-CD2 3.91Å; L41-F68 HydrophobicContact CG-CE2 3.72Å; L41-E71 HydrophobicContact CD1-CB 4.42Å; L41-E71 HydrophobicContact CD1-CG 3.53Å; L41-E71 HydrophobicContact CD2-CB 4.41Å; L41-E71 HydrophobicContact CD2-CG 4.12Å; L41-R72 HydrophobicContact CD2-CB 3.64Å; L41-R72 HydrophobicContact CD2-CG 4.08Å
42	N	95.9	Very high	94.7	Very high	116 Å²	116	57.7 Å²	57.7	62%	0.62	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.4	176.5	-68.9	-74.8	0	0	0	113.8	E38 I39 F40	E38-N42 PolarHBondContact O-N 3.26Å; E38-N42 PolarHBondContact O-ND2 2.77Å; E38-N42 PolarHBondContact OE1-ND2 3.34Å; I39-N42 PolarHBondContact O-N 3.42Å; I39-N42 VanDerWaalsContact O-N 3.09Å; F40-N42 PolarHBondContact O-N 3.39Å
43	L	96.1	Very high	95	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.257	30%	0.298	S	S	.	.	S	Bend	trans	-93.5	153.8	176.3	-63.8	178.3	0	0	0	112.2	I39 F40 Y47 V48 R72	I39-L43 HydrophobicContact CG2-CD1 4.47Å; I39-L43 PolarHBondContact O-N 2.87Å; F40-L43 HydrophobicContact CD1-CD1 3.92Å; F40-L43 HydrophobicContact CE1-CD1 4.47Å; F40-L43 PolarHBondContact O-N 2.94Å; F40-L43 VanDerWaalsContact O-N 3.11Å; L43-Y47 HydrophobicContact CD1-CD1 4.4Å; L43-V48 HydrophobicContact CB-CG2 3.89Å; L43-R72 VanDerWaalsContact O-CZ 3.3Å; L43-R72 PolarHBondContact O-NH1 3Å; L43-R72 PolarHBondContact O-NH2 3.32Å
44	P	95.8	Very high	95.2	Very high	77 Å²	77	60.1 Å²	60.1	50%	0.5	31%	0.311	S	S	.	.			trans	-56.4	138.1	171.1	-24.6	34.3	0	0	0	112.1	Q46 Y47 V48	P44-Q46 VanDerWaalsContact C-N 3.33Å; P44-Q46 PolarHBondContact O-N 3.37Å; P44-Y47 WeakPolarHBondContact O-CA 3.31Å; P44-Y47 VanDerWaalsContact O-CB 3.31Å; P44-Y47 WeakPolarHBondContact O-CB 3.49Å; P44-Y47 PolarHBondContact O-N 3.45Å; P44-V48 PolarHBondContact O-N 2.75Å; P44-V48 VanDerWaalsContact O-N 3.15Å
45	P	94.3	Very high	95.4	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.032	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-36.2	-171.6	26.5	-33.6	0	0	0	112.7	Y47 V48 V49 W69 Y95 F96	P45-Y47 VanDerWaalsContact C-N 3.27Å; P45-Y47 PolarHBondContact O-N 3.37Å; P45-V48 PolarHBondContact O-N 3Å; P45-V49 WeakPolarHBondContact O-CG2 3.34Å; P45-V49 PolarHBondContact O-N 3.2Å; P45-W69 HydrophobicContact CB-CH2 4.11Å; P45-W69 HydrophobicContact CB-CZ3 4.01Å; P45-Y95 HydrophobicContact CB-CD1 4.34Å; P45-Y95 HydrophobicContact CB-CE1 3.48Å; P45-Y95 VanDerWaalsContact CB-CE1 3.48Å; P45-Y95 HydrophobicContact CG-CE1 3.71Å; P45-F96 HydrophobicContact CB-CE1 4.01Å; P45-F96 HydrophobicContact CB-CZ 3.81Å; P45-F96 HydrophobicContact CG-CE1 4.23Å
46	Q	93.3	Very high	95.5	Very high	120 Å²	120	58.1 Å²	58.1	56%	0.561	31%	0.308	S	S	*	.	H	α-helix	trans	-60	-39.6	173	2.8	-102.2	19.3	0	0	111.2	P44 V49 C50	P44-Q46 VanDerWaalsContact C-N 3.33Å; P44-Q46 PolarHBondContact O-N 3.37Å; Q46-V49 PolarHBondContact O-N 2.86Å; Q46-C50 VanDerWaalsContact O-CB 3.28Å; Q46-C50 WeakPolarHBondContact O-CB 3.43Å; Q46-C50 PolarHBondContact O-N 3.45Å; Q46-C50 PolarHBondContact O-SG 2.87Å
47	Y	96	Very high	95.5	Very high	121 Å²	121	68.7 Å²	68.7	48%	0.475	35%	0.347	S	S	.	.	H	α-helix	trans	-67.4	-39.2	-179.3	-162.8	-104	0	0	0	111.3	L43 P44 P45 V49 V51 C52	L43-Y47 HydrophobicContact CD1-CD1 4.4Å; P44-Y47 WeakPolarHBondContact O-CA 3.31Å; P44-Y47 VanDerWaalsContact O-CB 3.31Å; P44-Y47 WeakPolarHBondContact O-CB 3.49Å; P44-Y47 PolarHBondContact O-N 3.45Å; P45-Y47 VanDerWaalsContact C-N 3.27Å; P45-Y47 PolarHBondContact O-N 3.37Å; Y47-V49 VanDerWaalsContact C-N 3.35Å; Y47-V49 PolarHBondContact O-N 3.22Å; Y47-V51 HydrophobicContact CD1-CB 4.43Å; Y47-V51 HydrophobicContact CD2-CB 4Å; Y47-V51 HydrophobicContact CD2-CG2 3.67Å; Y47-V51 HydrophobicContact CE1-CB 4.3Å; Y47-V51 HydrophobicContact CE1-CG1 4.22Å; Y47-V51 HydrophobicContact CE2-CB 3.85Å; Y47-V51 HydrophobicContact CE2-CG1 3.92Å; Y47-V51 HydrophobicContact CE2-CG2 3.63Å; Y47-V51 HydrophobicContact CG-CB 4.29Å; Y47-V51 HydrophobicContact CG-CG2 4.37Å; Y47-V51 WeakPolarHBondContact O-CA 3.35Å; Y47-V51 WeakPolarHBondContact O-CB 3.5Å; Y47-V51 PolarHBondContact O-N 3.24Å; Y47-C52 PolarHBondContact O-N 2.77Å
48	V	96.3	Very high	95.4	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.351	C	S	.	.	I	π-helix	trans	-59.9	-45.2	175	177.8	0	0	0	0	111.3	F40 L43 P44 P45 R53 A63 F68	F40-V48 HydrophobicContact CB-CG1 4.4Å; F40-V48 HydrophobicContact CB-CG2 4.06Å; F40-V48 HydrophobicContact CD2-CG1 3.65Å; F40-V48 HydrophobicContact CE2-CG1 4.24Å; F40-V48 HydrophobicContact CG-CG1 4.23Å; F40-V48 HydrophobicContact CG-CG2 4.28Å; L43-V48 HydrophobicContact CB-CG2 3.89Å; P44-V48 PolarHBondContact O-N 2.75Å; P44-V48 VanDerWaalsContact O-N 3.15Å; P45-V48 PolarHBondContact O-N 3Å; V48-R53 WeakPolarHBondContact O-CB 3.44Å; V48-R53 PolarHBondContact O-N 2.84Å; V48-A63 HydrophobicContact CG1-CB 3.77Å; V48-F68 HydrophobicContact CG1-CE1 3.82Å; V48-F68 HydrophobicContact CG1-CZ 3.93Å; V48-F68 HydrophobicContact CG2-CZ 4.23Å
49	V	94.5	Very high	95.4	Very high	34 Å²	34	69.9 Å²	69.9	21%	0.206	35%	0.349	C	S	.	.	I	π-helix	trans	-75.6	-44.3	-176.8	177.5	0	0	0	0	112.9	P45 Q46 Y47 R53 W69 F96	P45-V49 WeakPolarHBondContact O-CG2 3.34Å; P45-V49 PolarHBondContact O-N 3.2Å; Q46-V49 PolarHBondContact O-N 2.86Å; Y47-V49 VanDerWaalsContact C-N 3.35Å; Y47-V49 PolarHBondContact O-N 3.22Å; V49-R53 WeakPolarHBondContact O-CB 3.28Å; V49-W69 HydrophobicContact CG2-CH2 3.65Å; V49-W69 HydrophobicContact CG2-CZ2 3.48Å; V49-W69 VanDerWaalsContact CG2-CZ2 3.48Å; V49-F96 HydrophobicContact CG2-CE2 3.9Å; V49-F96 HydrophobicContact CG2-CZ 4.02Å
50	C	94.2	Very high	95.4	Very high	84 Å²	84	70.3 Å²	70.3	57%	0.568	35%	0.348	S	S	*	.	I	π-helix	trans	-90.8	-23.3	-170.6	-60.9	0	0	0	0	113.4	Q46 L54	Q46-C50 VanDerWaalsContact O-CB 3.28Å; Q46-C50 WeakPolarHBondContact O-CB 3.43Å; Q46-C50 PolarHBondContact O-N 3.45Å; Q46-C50 PolarHBondContact O-SG 2.87Å; C50-L54 VanDerWaalsContact O-CD1 3.3Å; C50-L54 WeakPolarHBondContact O-CD1 3.47Å
51	V	96.8	Very high	95.3	Very high	58 Å²	58	74.5 Å²	74.5	35%	0.352	37%	0.374	S	S	.	.	I	π-helix	trans	-119.8	-63.3	-175	-174.3	0	0	0	0	110.9	Y47 R53 L54	Y47-V51 HydrophobicContact CD1-CB 4.43Å; Y47-V51 HydrophobicContact CD2-CB 4Å; Y47-V51 HydrophobicContact CD2-CG2 3.67Å; Y47-V51 HydrophobicContact CE1-CB 4.3Å; Y47-V51 HydrophobicContact CE1-CG1 4.22Å; Y47-V51 HydrophobicContact CE2-CB 3.85Å; Y47-V51 HydrophobicContact CE2-CG1 3.92Å; Y47-V51 HydrophobicContact CE2-CG2 3.63Å; Y47-V51 HydrophobicContact CG-CB 4.29Å; Y47-V51 HydrophobicContact CG-CG2 4.37Å; Y47-V51 WeakPolarHBondContact O-CA 3.35Å; Y47-V51 WeakPolarHBondContact O-CB 3.5Å; Y47-V51 PolarHBondContact O-N 3.24Å; V51-R53 VanDerWaalsContact C-N 3.3Å; V51-R53 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 3.24Å
52	C	95.7	Very high	95.2	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.007	37%	0.37	C	S	.	.	I	π-helix	trans	-58.6	-41.8	-173.8	-60.4	0	0	0	0	112.3	F40 Y47 L54 V55 W59	F40-C52 HydrophobicContact CE1-CB 3.99Å; F40-C52 HydrophobicContact CE2-CB 4Å; F40-C52 HydrophobicContact CZ-CB 3.62Å; Y47-C52 PolarHBondContact O-N 2.77Å; C52-L54 PolarHBondContact O-N 2.78Å; C52-L54 VanDerWaalsContact O-N 3.09Å; C52-V55 WeakPolarHBondContact O-CB 3.37Å; C52-V55 PolarHBondContact O-N 2.91Å; C52-V55 VanDerWaalsContact O-N 3.09Å; C52-W59 HydrophobicContact CB-CE3 3.69Å; C52-W59 HydrophobicContact CB-CZ3 4.04Å; C52-W59 WeakPolarHBondContact O-CB 3.22Å
53	R	95.8	Very high	95.1	Very high	71 Å²	71	68.3 Å²	68.3	27%	0.268	34%	0.341	S	S	.	.	H	α-helix	trans	-57	-24	177.2	-171	178.1	176.6	-100.6	6.5	114.2	V48 V49 V51 K60 A63 D64	V48-R53 WeakPolarHBondContact O-CB 3.44Å; V48-R53 PolarHBondContact O-N 2.84Å; V49-R53 WeakPolarHBondContact O-CB 3.28Å; V51-R53 VanDerWaalsContact C-N 3.3Å; V51-R53 PolarHBondContact O-N 3.47Å; R53-K60 HydrophobicContact CG-CB 4.4Å; R53-K60 HydrophobicContact CG-CG 4.11Å; R53-K60 WeakPolarHBondContact O-CB 3.49Å; R53-A63 HydrophobicContact CB-CB 3.83Å; R53-A63 HydrophobicContact CG-CB 4.08Å; R53-D64 WeakPolarHBondContact CD-OD1 3.27Å; R53-D64 IonicContact CZ-OD1 3.58Å; R53-D64 IonicContact CZ-OD2 3.47Å; R53-D64 VanDerWaalsContact NE-CG 3.26Å; R53-D64 IonicContact NE-OD1 2.75Å; R53-D64 PolarHBondContact NE-OD1 2.77Å; R53-D64 IonicContact NE-OD2 3Å; R53-D64 PolarHBondContact NE-OD2 3.24Å; R53-D64 IonicContact NH2-OD1 3.55Å; R53-D64 IonicContact NH2-OD2 3.11Å; R53-D64 PolarHBondContact NH2-OD2 2.75Å; R53-D64 VanDerWaalsContact NH2-OD2 3.11Å
54	L	96.8	Very high	95	Very high	130 Å²	130	68.8 Å²	68.8	68%	0.681	34%	0.344	S	S	*	.	H	α-helix	trans	-93.4	-8.8	-178.4	-57.9	-178.6	0	0	0	113.4	C50 V51 C52	C50-L54 VanDerWaalsContact O-CD1 3.3Å; C50-L54 WeakPolarHBondContact O-CD1 3.47Å; V51-L54 PolarHBondContact O-N 3.24Å; C52-L54 PolarHBondContact O-N 2.78Å; C52-L54 VanDerWaalsContact O-N 3.09Å
55	V	95.8	Very high	94.8	Very high	83 Å²	83	66.4 Å²	66.4	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-53.6	-174	173.4	0	0	0	0	111.9	C52 W59	C52-V55 WeakPolarHBondContact O-CB 3.37Å; C52-V55 PolarHBondContact O-N 2.91Å; C52-V55 VanDerWaalsContact O-N 3.09Å; V55-W59 HydrophobicContact CB-CB 4.5Å; V55-W59 HydrophobicContact CB-CD2 3.97Å; V55-W59 HydrophobicContact CB-CE3 3.64Å; V55-W59 HydrophobicContact CB-CG 4.36Å; V55-W59 HydrophobicContact CB-CZ3 4.21Å; V55-W59 HydrophobicContact CG1-CD2 3.98Å; V55-W59 HydrophobicContact CG1-CE3 3.94Å; V55-W59 HydrophobicContact CG1-CG 4.47Å; V55-W59 HydrophobicContact CG1-CZ3 4.26Å; V55-W59 HydrophobicContact CG2-CD2 4.45Å; V55-W59 HydrophobicContact CG2-CE3 3.63Å; V55-W59 HydrophobicContact CG2-CZ3 3.8Å
56	C	94.4	Very high	94.5	Very high	56 Å²	56	69.2 Å²	69.2	38%	0.378	34%	0.341	S	S	.	.			trans	-159.1	172.1	178.7	76.5	0	0	0	0	111.7	Q58 W59 K60	C56-Q58 VanDerWaalsContact C-N 3.32Å; C56-Q58 PolarHBondContact O-N 3.16Å; C56-W59 PolarHBondContact O-N 3.24Å; C56-K60 PolarHBondContact O-N 2.99Å
57	R	94.3	Very high	94.4	Very high	224 Å²	224	66.1 Å²	66.1	85%	0.845	33%	0.333	S	S	*	.	H	α-helix	trans	-58.8	-40.4	179.6	-69.6	-175.2	177.6	-176.6	-0.6	112.9	K60 V61	R57-K60 WeakPolarHBondContact O-CB 3.41Å; R57-K60 PolarHBondContact O-N 3.37Å; R57-V61 WeakPolarHBondContact O-CG2 3.48Å; R57-V61 PolarHBondContact O-N 3.06Å
58	Q	94.2	Very high	94.3	Very high	61 Å²	61	60.3 Å²	60.3	29%	0.285	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-44.9	-179.8	-169	-176.3	17.5	0	0	111.6	L31 L33 L36 C56 K60 V61 V62	L31-Q58 PolarHBondContact O-NE2 3.09Å; L33-Q58 HydrophobicContact CD2-CG 3.57Å; L36-Q58 HydrophobicContact CD2-CG 4.29Å; C56-Q58 VanDerWaalsContact C-N 3.32Å; C56-Q58 PolarHBondContact O-N 3.16Å; Q58-K60 VanDerWaalsContact C-N 3.33Å; Q58-K60 PolarHBondContact O-N 3.33Å; Q58-V61 WeakPolarHBondContact O-CB 3.5Å; Q58-V61 PolarHBondContact O-N 2.97Å; Q58-V62 PolarHBondContact O-N 3.15Å
59	W	95.5	Very high	94.1	Very high	83 Å²	83	60.5 Å²	60.5	31%	0.314	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-36.2	178.5	-72.9	34.7	0	0	0	111.7	L36 F40 C52 V55 C56 V62 A63	L36-W59 HydrophobicContact CD1-CD2 4.46Å; L36-W59 HydrophobicContact CD1-CZ2 4.36Å; L36-W59 VanDerWaalsContact CD2-CD1 3.47Å; L36-W59 HydrophobicContact CD2-CG 4.07Å; F40-W59 HydrophobicContact CE1-CD2 4.08Å; F40-W59 AromaticContact CE1-CE3 3.83Å; F40-W59 HydrophobicContact CE1-CE3 3.83Å; F40-W59 HydrophobicContact CE1-CZ3 4.08Å; F40-W59 HydrophobicContact CE2-CB 4.41Å; F40-W59 HydrophobicContact CZ-CB 3.89Å; F40-W59 AromaticContact CZ-CD2 3.67Å; F40-W59 HydrophobicContact CZ-CD2 3.67Å; F40-W59 AromaticContact CZ-CE3 3.57Å; F40-W59 HydrophobicContact CZ-CE3 3.57Å; F40-W59 AromaticContact CZ-CG 3.84Å; F40-W59 HydrophobicContact CZ-CG 3.84Å; F40-W59 HydrophobicContact CZ-CZ3 4.28Å; C52-W59 HydrophobicContact CB-CE3 3.69Å; C52-W59 HydrophobicContact CB-CZ3 4.04Å; C52-W59 WeakPolarHBondContact O-CB 3.22Å; V55-W59 HydrophobicContact CB-CB 4.5Å; V55-W59 HydrophobicContact CB-CD2 3.97Å; V55-W59 HydrophobicContact CB-CE3 3.64Å; V55-W59 HydrophobicContact CB-CG 4.36Å; V55-W59 HydrophobicContact CB-CZ3 4.21Å; V55-W59 HydrophobicContact CG1-CD2 3.98Å; V55-W59 HydrophobicContact CG1-CE3 3.94Å; V55-W59 HydrophobicContact CG1-CG 4.47Å; V55-W59 HydrophobicContact CG1-CZ3 4.26Å; V55-W59 HydrophobicContact CG2-CD2 4.45Å; V55-W59 HydrophobicContact CG2-CE3 3.63Å; V55-W59 HydrophobicContact CG2-CZ3 3.8Å; C56-W59 PolarHBondContact O-N 3.24Å; W59-V62 PolarHBondContact O-N 3.41Å; W59-A63 VanDerWaalsContact O-CB 3.27Å; W59-A63 WeakPolarHBondContact O-CB 3.45Å; W59-A63 PolarHBondContact O-N 2.98Å
60	K	94.8	Very high	93.8	Very high	86 Å²	86	64.7 Å²	64.7	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-44.1	172.2	179.4	173.2	165.1	53.7	0	112.1	R53 C56 R57 Q58 V62 A63 D64	R53-K60 HydrophobicContact CG-CB 4.4Å; R53-K60 HydrophobicContact CG-CG 4.11Å; R53-K60 WeakPolarHBondContact O-CB 3.49Å; C56-K60 PolarHBondContact O-N 2.99Å; R57-K60 WeakPolarHBondContact O-CB 3.41Å; R57-K60 PolarHBondContact O-N 3.37Å; Q58-K60 VanDerWaalsContact C-N 3.33Å; Q58-K60 PolarHBondContact O-N 3.33Å; K60-V62 VanDerWaalsContact C-N 3.32Å; K60-V62 PolarHBondContact O-N 3.09Å; K60-A63 PolarHBondContact O-N 3.27Å; K60-D64 IonicContact NZ-OD2 2.72Å; K60-D64 PolarHBondContact NZ-OD2 3.42Å; K60-D64 WeakPolarHBondContact O-CB 3.37Å; K60-D64 PolarHBondContact O-N 3.08Å
61	V	94.2	Very high	93.7	Very high	89 Å²	89	62.9 Å²	62.9	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-57.9	-46.8	177.5	168.4	0	0	0	0	110.6	R57 Q58 S65	R57-V61 WeakPolarHBondContact O-CG2 3.48Å; R57-V61 PolarHBondContact O-N 3.06Å; Q58-V61 WeakPolarHBondContact O-CB 3.5Å; Q58-V61 PolarHBondContact O-N 2.97Å; V61-S65 WeakPolarHBondContact O-CB 3.47Å; V61-S65 PolarHBondContact O-N 3.31Å; V61-S65 VanDerWaalsContact O-N 3.09Å
62	V	94.6	Very high	93.5	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-45.2	178.3	175.1	0	0	0	0	112.2	L33 L36 E37 F40 Q58 W59 K60 D64 S65	L33-V62 HydrophobicContact CB-CG2 4.35Å; L33-V62 HydrophobicContact CD2-CG2 3.74Å; L36-V62 HydrophobicContact CB-CG2 4.31Å; L36-V62 HydrophobicContact CD2-CB 4.3Å; L36-V62 HydrophobicContact CD2-CG2 3.81Å; L36-V62 HydrophobicContact CG-CB 4.44Å; L36-V62 HydrophobicContact CG-CG1 4.42Å; L36-V62 HydrophobicContact CG-CG2 4.13Å; E37-V62 HydrophobicContact CB-CG1 4.22Å; E37-V62 HydrophobicContact CG-CB 4.46Å; E37-V62 HydrophobicContact CG-CG1 3.42Å; E37-V62 VanDerWaalsContact CG-CG1 3.42Å; E37-V62 HydrophobicContact CG-CG2 4.4Å; F40-V62 HydrophobicContact CD2-CB 4.25Å; F40-V62 HydrophobicContact CD2-CG1 3.58Å; F40-V62 HydrophobicContact CE2-CB 4.06Å; F40-V62 HydrophobicContact CE2-CG1 3.89Å; F40-V62 HydrophobicContact CG-CG1 4.3Å; Q58-V62 PolarHBondContact O-N 3.15Å; W59-V62 PolarHBondContact O-N 3.41Å; K60-V62 VanDerWaalsContact C-N 3.32Å; K60-V62 PolarHBondContact O-N 3.09Å; V62-D64 VanDerWaalsContact C-N 3.28Å; V62-D64 PolarHBondContact O-N 3.02Å; V62-S65 WeakPolarHBondContact O-CB 3.29Å; V62-S65 PolarHBondContact O-N 3.32Å; V62-S65 VanDerWaalsContact O-N 3.08Å
63	A	94.7	Very high	93.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-26.7	-179.1	0	0	0	0	0	113.7	F40 V48 R53 W59 K60 W69	F40-A63 HydrophobicContact CD2-CB 4.45Å; F40-A63 HydrophobicContact CE2-CB 4.1Å; V48-A63 HydrophobicContact CG1-CB 3.77Å; R53-A63 HydrophobicContact CB-CB 3.83Å; R53-A63 HydrophobicContact CG-CB 4.08Å; W59-A63 VanDerWaalsContact O-CB 3.27Å; W59-A63 WeakPolarHBondContact O-CB 3.45Å; W59-A63 PolarHBondContact O-N 2.98Å; K60-A63 PolarHBondContact O-N 3.27Å; A63-W69 PolarHBondContact O-NE1 3.12Å
64	D	92.4	Very high	93	Very high	59 Å²	59	64 Å²	64	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-0.5	174.3	-71.9	-28.3	0	0	0	112.3	R53 K60 V62 R92	R53-D64 WeakPolarHBondContact CD-OD1 3.27Å; R53-D64 IonicContact CZ-OD1 3.58Å; R53-D64 IonicContact CZ-OD2 3.47Å; R53-D64 VanDerWaalsContact NE-CG 3.26Å; R53-D64 IonicContact NE-OD1 2.75Å; R53-D64 PolarHBondContact NE-OD1 2.77Å; R53-D64 IonicContact NE-OD2 3Å; R53-D64 PolarHBondContact NE-OD2 3.24Å; R53-D64 IonicContact NH2-OD1 3.55Å; R53-D64 IonicContact NH2-OD2 3.11Å; R53-D64 PolarHBondContact NH2-OD2 2.75Å; R53-D64 VanDerWaalsContact NH2-OD2 3.11Å; K60-D64 IonicContact NZ-OD2 2.72Å; K60-D64 PolarHBondContact NZ-OD2 3.42Å; K60-D64 WeakPolarHBondContact O-CB 3.37Å; K60-D64 PolarHBondContact O-N 3.08Å; V62-D64 VanDerWaalsContact C-N 3.28Å; V62-D64 PolarHBondContact O-N 3.02Å; D64-R92 IonicContact OD1-CZ 3.86Å; D64-R92 IonicContact OD1-NH1 2.77Å; D64-R92 PolarHBondContact OD1-NH1 2.82Å
65	S	92.1	Very high	92.7	Very high	27 Å²	27	62.8 Å²	62.8	19%	0.189	29%	0.291	C	S	.	.			trans	-70.9	134.9	-176.9	-178.8	0	0	0	0	112.8	V61 V62 S67 W69	V61-S65 WeakPolarHBondContact O-CB 3.47Å; V61-S65 PolarHBondContact O-N 3.31Å; V61-S65 VanDerWaalsContact O-N 3.09Å; V62-S65 WeakPolarHBondContact O-CB 3.29Å; V62-S65 PolarHBondContact O-N 3.32Å; V62-S65 VanDerWaalsContact O-N 3.08Å; S65-S67 PolarHBondContact OG-N 3.35Å; S65-S67 PolarHBondContact OG-OG 2.87Å; S65-W69 PolarHBondContact O-N 3.49Å
66	E	89.2	Confident	92.5	Very high	64 Å²	64	62.5 Å²	62.5	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-66.8	-39.4	173.9	-65.1	-156.9	138.7	0	0	113.2	F68 W69 R70 N89	E66-F68 VanDerWaalsContact C-N 3.26Å; E66-F68 PolarHBondContact O-N 3.15Å; E66-W69 PolarHBondContact O-N 2.83Å; E66-R70 VanDerWaalsContact O-CB 3.24Å; E66-R70 WeakPolarHBondContact O-CB 3.12Å; E66-R70 PolarHBondContact O-N 2.96Å; E66-R70 IonicContact OE2-NH2 3.68Å; E66-N89 WeakPolarHBondContact OE1-CA 3.44Å; E66-N89 PolarHBondContact OE1-N 3.32Å
67	S	89.9	Confident	92.2	Very high	55 Å²	55	61.9 Å²	61.9	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-44.3	-179.6	53.2	0	0	0	0	110.1	E37 S65 R70 E71	E37-S67 PolarHBondContact OE1-OG 3.04Å; E37-S67 PolarHBondContact OE2-OG 3.32Å; S65-S67 PolarHBondContact OG-N 3.35Å; S65-S67 PolarHBondContact OG-OG 2.87Å; S67-R70 PolarHBondContact O-N 3.36Å; S67-E71 WeakPolarHBondContact O-CB 3.23Å; S67-E71 PolarHBondContact O-N 3Å
68	F	93.6	Very high	91.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-53.5	176.3	170.3	-108.1	0	0	0	112.3	E37 F40 L41 V48 E66 E71 R72	E37-F68 HydrophobicContact CG-CB 4.24Å; E37-F68 HydrophobicContact CG-CD2 4.47Å; F40-F68 HydrophobicContact CB-CD2 4.21Å; F40-F68 HydrophobicContact CB-CE2 3.4Å; F40-F68 HydrophobicContact CB-CZ 3.71Å; L41-F68 HydrophobicContact CB-CE2 4.44Å; L41-F68 HydrophobicContact CD2-CD2 3.87Å; L41-F68 HydrophobicContact CD2-CE2 3.7Å; L41-F68 HydrophobicContact CG-CD2 3.91Å; L41-F68 HydrophobicContact CG-CE2 3.72Å; V48-F68 HydrophobicContact CG1-CE1 3.82Å; V48-F68 HydrophobicContact CG1-CZ 3.93Å; V48-F68 HydrophobicContact CG2-CZ 4.23Å; E66-F68 VanDerWaalsContact C-N 3.26Å; E66-F68 PolarHBondContact O-N 3.15Å; F68-E71 PolarHBondContact O-N 3.42Å; F68-R72 WeakPolarHBondContact O-CB 3.32Å; F68-R72 PolarHBondContact O-N 3.29Å
69	W	92	Very high	90.7	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.011	27%	0.274	C	S	.	.	H	α-helix	trans	-70.4	-33.7	-178.2	-70.3	106.7	0	0	0	112.9	P45 V49 A63 S65 E66 R72 C73 W91 R92 Y95 F96	P45-W69 HydrophobicContact CB-CH2 4.11Å; P45-W69 HydrophobicContact CB-CZ3 4.01Å; V49-W69 HydrophobicContact CG2-CH2 3.65Å; V49-W69 HydrophobicContact CG2-CZ2 3.48Å; V49-W69 VanDerWaalsContact CG2-CZ2 3.48Å; A63-W69 PolarHBondContact O-NE1 3.12Å; S65-W69 PolarHBondContact O-N 3.49Å; E66-W69 PolarHBondContact O-N 2.83Å; W69-R72 PolarHBondContact O-N 3.32Å; W69-C73 PolarHBondContact O-N 2.99Å; W69-C73 PolarHBondContact O-SG 3.47Å; W69-W91 HydrophobicContact CB-CB 3.66Å; W69-R92 HydrophobicContact CD2-CB 3.77Å; W69-R92 HydrophobicContact CD2-CG 3.85Å; W69-R92 VanDerWaalsContact CE2-CG 3.47Å; W69-R92 HydrophobicContact CE3-CG 4.31Å; W69-R92 HydrophobicContact CG-CB 3.76Å; W69-R92 HydrophobicContact CG-CG 4.36Å; W69-R92 HydrophobicContact CH2-CG 4.14Å; W69-R92 HydrophobicContact CZ2-CB 4.39Å; W69-R92 HydrophobicContact CZ2-CG 3.65Å; W69-R92 HydrophobicContact CZ3-CG 4.44Å; W69-Y95 AromaticContact CE3-CD1 3.87Å; W69-Y95 HydrophobicContact CE3-CD1 3.87Å; W69-Y95 AromaticContact CE3-CG 3.88Å; W69-Y95 HydrophobicContact CE3-CG 3.88Å; W69-Y95 AromaticContact CZ3-CD1 3.53Å; W69-Y95 HydrophobicContact CZ3-CD1 3.53Å; W69-Y95 AromaticContact CZ3-CE1 3.99Å; W69-Y95 HydrophobicContact CZ3-CE1 3.99Å; W69-Y95 HydrophobicContact CZ3-CG 4.04Å; W69-F96 AromaticContact CH2-CE2 3.62Å; W69-F96 HydrophobicContact CH2-CE2 3.62Å; W69-F96 AromaticContact CH2-CZ 3.95Å; W69-F96 HydrophobicContact CH2-CZ 3.95Å; W69-F96 HydrophobicContact CZ2-CE2 4.36Å; W69-F96 AromaticContact CZ3-CE2 3.85Å; W69-F96 HydrophobicContact CZ3-CE2 3.85Å; W69-F96 HydrophobicContact CZ3-CZ 4.25Å
70	R	89.4	Confident	89.4	Confident	122 Å²	122	55 Å²	55	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-47.4	173.6	-174.6	-177	-56.1	174.6	6.7	111.5	E66 S67 R72 C73 R74 W91	E66-R70 VanDerWaalsContact O-CB 3.24Å; E66-R70 WeakPolarHBondContact O-CB 3.12Å; E66-R70 PolarHBondContact O-N 2.96Å; E66-R70 IonicContact OE2-NH2 3.68Å; S67-R70 PolarHBondContact O-N 3.36Å; R70-R72 VanDerWaalsContact C-N 3.31Å; R70-R72 PolarHBondContact O-N 2.95Å; R70-C73 WeakPolarHBondContact O-CB 3.43Å; R70-C73 PolarHBondContact O-N 3.22Å; R70-R74 PolarHBondContact O-N 3.05Å; R70-W91 HydrophobicContact CB-CD2 3.85Å; R70-W91 HydrophobicContact CB-CE3 3.98Å; R70-W91 HydrophobicContact CB-CG 4.29Å; R70-W91 HydrophobicContact CB-CH2 4.49Å; R70-W91 HydrophobicContact CB-CZ2 4.41Å; R70-W91 HydrophobicContact CB-CZ3 4.3Å; R70-W91 HydrophobicContact CG-CD2 4.18Å; R70-W91 HydrophobicContact CG-CE3 4.16Å; R70-W91 HydrophobicContact CG-CH2 3.79Å; R70-W91 HydrophobicContact CG-CZ2 3.84Å; R70-W91 HydrophobicContact CG-CZ3 3.98Å
71	E	91.7	Very high	87.7	Confident	46 Å²	46	61.5 Å²	61.5	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-40.3	177	175.4	55.7	-159.7	0	0	111.1	L41 S67 F68 C73 R74 R75	L41-E71 HydrophobicContact CD1-CB 4.42Å; L41-E71 HydrophobicContact CD1-CG 3.53Å; L41-E71 HydrophobicContact CD2-CB 4.41Å; L41-E71 HydrophobicContact CD2-CG 4.12Å; S67-E71 WeakPolarHBondContact O-CB 3.23Å; S67-E71 PolarHBondContact O-N 3Å; F68-E71 PolarHBondContact O-N 3.42Å; E71-C73 PolarHBondContact O-N 3.09Å; E71-R74 VanDerWaalsContact CD-NH2 3.34Å; E71-R74 WeakPolarHBondContact O-CB 3.43Å; E71-R74 PolarHBondContact O-N 2.82Å; E71-R74 IonicContact OE1-CZ 3.73Å; E71-R74 IonicContact OE1-NE 3.71Å; E71-R74 IonicContact OE1-NH2 2.85Å; E71-R74 PolarHBondContact OE1-NH2 3.41Å; E71-R74 IonicContact OE2-CZ 2.61Å; E71-R74 IonicContact OE2-NE 3.83Å; E71-R74 PolarHBondContact OE2-NE 2.79Å; E71-R74 IonicContact OE2-NH2 2.87Å; E71-R74 PolarHBondContact OE2-NH2 3.42Å; E71-R75 WeakPolarHBondContact O-CG 3.5Å; E71-R75 PolarHBondContact O-N 3.08Å; E71-R75 IonicContact OE1-CZ 3.62Å; E71-R75 IonicContact OE1-NE 2.8Å; E71-R75 PolarHBondContact OE1-NE 3.36Å; E71-R75 IonicContact OE1-NH2 3.52Å; E71-R75 PolarHBondContact OE1-NH2 2.8Å
72	R	93.3	Very high	86.1	Confident	9 Å²	9	59.4 Å²	59.4	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-43.4	173.8	-161.5	179.3	-173	103.6	15	112.6	F40 L41 L43 F68 W69 R70 R74 R75 Q76 Y95	F40-R72 PolarHBondContact O-NH1 2.98Å; L41-R72 HydrophobicContact CD2-CB 3.64Å; L41-R72 HydrophobicContact CD2-CG 4.08Å; L43-R72 VanDerWaalsContact O-CZ 3.3Å; L43-R72 PolarHBondContact O-NH1 3Å; L43-R72 PolarHBondContact O-NH2 3.32Å; F68-R72 WeakPolarHBondContact O-CB 3.32Å; F68-R72 PolarHBondContact O-N 3.29Å; W69-R72 PolarHBondContact O-N 3.32Å; R70-R72 VanDerWaalsContact C-N 3.31Å; R70-R72 PolarHBondContact O-N 2.95Å; R72-R74 VanDerWaalsContact C-N 3.35Å; R72-R75 PolarHBondContact O-N 3.3Å; R72-Q76 WeakPolarHBondContact O-CG 3.34Å; R72-Q76 PolarHBondContact O-N 3.05Å; R72-Y95 HydrophobicContact CG-CD2 4.21Å; R72-Y95 HydrophobicContact CG-CE2 3.77Å; R72-Y95 PolarHBondContact NE-OH 2.89Å
73	C	90.1	Very high	84.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-47.7	174.2	-70.1	0	0	0	0	111	W69 R70 E71 R75 Q76 G77 Y78 W91 F94	W69-C73 PolarHBondContact O-N 2.99Å; W69-C73 PolarHBondContact O-SG 3.47Å; R70-C73 WeakPolarHBondContact O-CB 3.43Å; R70-C73 PolarHBondContact O-N 3.22Å; E71-C73 PolarHBondContact O-N 3.09Å; C73-R75 PolarHBondContact O-N 3.02Å; C73-Q76 CarbonylContact O-C 3.55Å; C73-Q76 PolarHBondContact O-N 2.9Å; C73-Q76 VanDerWaalsContact O-N 3.15Å; C73-G77 PolarHBondContact O-N 3.26Å; C73-G77 VanDerWaalsContact O-N 3.11Å; C73-Y78 PolarHBondContact O-N 3.39Å; C73-W91 HydrophobicContact CB-CZ3 4.42Å; C73-F94 HydrophobicContact CB-CE1 4.39Å
74	R	89.3	Confident	82.3	Confident	144 Å²	144	68.9 Å²	68.9	54%	0.543	34%	0.338	S	S	.	.	H	α-helix	trans	-57.4	-48.1	178.3	-170.5	-169.5	69.9	81	-2	112.4	R70 E71 R72 Q76 G77	R70-R74 PolarHBondContact O-N 3.05Å; E71-R74 VanDerWaalsContact CD-NH2 3.34Å; E71-R74 WeakPolarHBondContact O-CB 3.43Å; E71-R74 PolarHBondContact O-N 2.82Å; E71-R74 IonicContact OE1-CZ 3.73Å; E71-R74 IonicContact OE1-NE 3.71Å; E71-R74 IonicContact OE1-NH2 2.85Å; E71-R74 PolarHBondContact OE1-NH2 3.41Å; E71-R74 IonicContact OE2-CZ 2.61Å; E71-R74 IonicContact OE2-NE 3.83Å; E71-R74 PolarHBondContact OE2-NE 2.79Å; E71-R74 IonicContact OE2-NH2 2.87Å; E71-R74 PolarHBondContact OE2-NH2 3.42Å; R72-R74 VanDerWaalsContact C-N 3.35Å; R74-Q76 PolarHBondContact O-N 3.35Å; R74-G77 PolarHBondContact O-N 3.08Å
75	R	92.4	Very high	80.6	Confident	105 Å²	105	72.2 Å²	72.2	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-27	178.8	-71.4	-174.7	-172.7	-164.4	0.5	113.7	E38 E71 R72 C73	E38-R75 IonicContact OE1-CZ 3.78Å; E38-R75 IonicContact OE1-NH1 2.67Å; E38-R75 PolarHBondContact OE1-NH1 2.94Å; E38-R75 IonicContact OE1-NH2 2.71Å; E38-R75 PolarHBondContact OE1-NH2 3.37Å; E38-R75 IonicContact OE2-CZ 3.52Å; E38-R75 IonicContact OE2-NH1 3.35Å; E38-R75 IonicContact OE2-NH2 3.6Å; E38-R75 PolarHBondContact OE2-NH2 2.72Å; E71-R75 WeakPolarHBondContact O-CG 3.5Å; E71-R75 PolarHBondContact O-N 3.08Å; E71-R75 IonicContact OE1-CZ 3.62Å; E71-R75 IonicContact OE1-NE 2.8Å; E71-R75 PolarHBondContact OE1-NE 3.36Å; E71-R75 IonicContact OE1-NH2 3.52Å; E71-R75 PolarHBondContact OE1-NH2 2.8Å; R72-R75 PolarHBondContact O-N 3.3Å; C73-R75 PolarHBondContact O-N 3.02Å
76	Q	90.9	Very high	78.8	Confident	76 Å²	76	73.6 Å²	73.6	36%	0.355	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	8	-177.2	-61.2	-170.7	10.3	0	0	113	R72 C73 R74 Y78 Y95	R72-Q76 WeakPolarHBondContact O-CG 3.34Å; R72-Q76 PolarHBondContact O-N 3.05Å; C73-Q76 CarbonylContact O-C 3.55Å; C73-Q76 PolarHBondContact O-N 2.9Å; C73-Q76 VanDerWaalsContact O-N 3.15Å; R74-Q76 PolarHBondContact O-N 3.35Å; Q76-Y78 VanDerWaalsContact C-N 3.29Å; Q76-Y78 HydrophobicContact CB-CD2 3.81Å; Q76-Y78 HydrophobicContact CB-CE2 3.68Å; Q76-Y78 PolarHBondContact O-N 2.85Å; Q76-Y95 VanDerWaalsContact CD-OH 3.3Å; Q76-Y95 PolarHBondContact NE2-OH 2.67Å; Q76-Y95 PolarHBondContact OE1-OH 2.97Å
77	G	87.9	Confident	77	Confident	44 Å²	44	73.7 Å²	73.7	45%	0.454	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	14.5	177.4	0	0	0	0	0	114.8	C73 R74 H79	C73-G77 PolarHBondContact O-N 3.26Å; C73-G77 VanDerWaalsContact O-N 3.11Å; R74-G77 PolarHBondContact O-N 3.08Å; G77-H79 PolarHBondContact O-CD2 2.8Å; G77-H79 VanDerWaalsContact O-CD2 3.23Å; G77-H79 PolarHBondContact O-N 3.25Å; G77-H79 VanDerWaalsContact O-N 3.13Å
78	Y	84.8	Confident	75.3	Confident	65 Å²	65	76 Å²	76	26%	0.255	38%	0.376	S	S	.	.			trans	-81.5	90.7	173.1	-57.8	-53.1	0	0	0	109.1	C73 Q76 Y95 K99	C73-Y78 PolarHBondContact O-N 3.39Å; Q76-Y78 VanDerWaalsContact C-N 3.29Å; Q76-Y78 HydrophobicContact CB-CD2 3.81Å; Q76-Y78 HydrophobicContact CB-CE2 3.68Å; Q76-Y78 PolarHBondContact O-N 2.85Å; Y78-Y95 AromaticContact CD2-CD2 3.95Å; Y78-Y95 HydrophobicContact CD2-CD2 3.95Å; Y78-Y95 AromaticContact CD2-CE2 3.98Å; Y78-Y95 HydrophobicContact CD2-CE2 3.98Å; Y78-Y95 HydrophobicContact CE2-CD2 4.13Å; Y78-Y95 AromaticContact CE2-CE2 3.78Å; Y78-Y95 HydrophobicContact CE2-CE2 3.78Å; Y78-K99 HydrophobicContact CE2-CB 4.34Å
79	H	71.8	Confident	73.7	Confident	129 Å²	129	81.9 Å²	81.9	60%	0.597	41%	0.407	S	S	*	.			trans	-95.2	139	179.6	-61.4	-69.4	0	0	0	111.4	G77	G77-H79 PolarHBondContact O-CD2 2.8Å; G77-H79 VanDerWaalsContact O-CD2 3.23Å; G77-H79 PolarHBondContact O-N 3.25Å; G77-H79 VanDerWaalsContact O-N 3.13Å
80	L	67.6	Low	73	Confident	30 Å²	30	85.2 Å²	85.2	16%	0.157	43%	0.425	C	S	.	.			trans	-74.3	128.8	164.7	-65.7	-178.1	0	0	0	108.8	D82 V86 W91 F94 L273	L80-D82 VanDerWaalsContact C-N 3.28Å; L80-V86 HydrophobicContact CD1-CG2 3.7Å; L80-W91 HydrophobicContact CD1-CH2 3.26Å; L80-W91 HydrophobicContact CD1-CZ2 3.72Å; L80-W91 HydrophobicContact CD1-CZ3 4.05Å; L80-W91 HydrophobicContact CG-CH2 3.81Å; L80-W91 HydrophobicContact CG-CZ3 4.21Å; L80-F94 HydrophobicContact CD2-CD1 4.45Å; L80-F94 HydrophobicContact CD2-CD2 4.13Å; L80-F94 HydrophobicContact CD2-CE1 3.94Å; L80-F94 HydrophobicContact CD2-CE2 3.53Å; L80-F94 HydrophobicContact CD2-CZ 3.43Å; L80-F94 VanDerWaalsContact CD2-CZ 3.43Å; L80-F94 HydrophobicContact CG-CZ 4.33Å; L80-L273 HydrophobicContact CD1-CD2 4.4Å; L80-L273 HydrophobicContact CD2-CB 3.72Å; L80-L273 HydrophobicContact CD2-CD1 3.9Å; L80-L273 HydrophobicContact CD2-CD2 3.83Å; L80-L273 HydrophobicContact CD2-CG 4.02Å
81	R	60.4	Low	72.8	Confident	222 Å²	222	80.7 Å²	80.7	84%	0.838	41%	0.408	S	S	*	.	S	Bend	trans	-67.9	-32.8	169.4	-76.2	-175.3	-178.1	-173.1	-0.4	111.5
82	D	60.2	Low	72.7	Confident	45 Å²	45	82 Å²	82	24%	0.241	41%	0.411	C	S	.	.			trans	-133.1	102.1	179.8	-169.2	-12.5	0	0	0	111.8	L80 S84 R85	L80-D82 VanDerWaalsContact C-N 3.28Å; D82-S84 VanDerWaalsContact CG-OG 3.25Å; D82-S84 PolarHBondContact O-N 2.81Å; D82-S84 VanDerWaalsContact OD1-CB 3.31Å; D82-S84 WeakPolarHBondContact OD1-CB 3.41Å; D82-S84 PolarHBondContact OD1-N 2.67Å; D82-S84 PolarHBondContact OD1-OG 3.06Å; D82-S84 PolarHBondContact OD2-OG 3.11Å; D82-R85 HydrophobicContact CB-CB 4.39Å; D82-R85 HydrophobicContact CB-CG 4.12Å; D82-R85 PolarHBondContact O-N 3.45Å; D82-R85 WeakPolarHBondContact OD2-CD 3.47Å; D82-R85 WeakPolarHBondContact OD2-CG 3.5Å; D82-R85 IonicContact OD2-CZ 3.39Å; D82-R85 IonicContact OD2-NE 2.72Å; D82-R85 PolarHBondContact OD2-NE 3.32Å
83	P	55.3	Low	72.3	Confident	100 Å²	100	83.3 Å²	83.3	65%	0.649	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-64.8	-14.2	176	-20.1	32.2	0	0	0	114.5	V86	P83-V86 WeakPolarHBondContact O-CG2 3.47Å
84	S	54.3	Low	72.1	Confident	100 Å²	100	83.6 Å²	83.6	70%	0.699	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-83.4	-15.5	179	74.5	0	0	0	0	113.2	D82 V86	D82-S84 VanDerWaalsContact CG-OG 3.25Å; D82-S84 PolarHBondContact O-N 2.81Å; D82-S84 VanDerWaalsContact OD1-CB 3.31Å; D82-S84 WeakPolarHBondContact OD1-CB 3.41Å; D82-S84 PolarHBondContact OD1-N 2.67Å; D82-S84 PolarHBondContact OD1-OG 3.06Å; D82-S84 PolarHBondContact OD2-OG 3.11Å; S84-V86 VanDerWaalsContact C-N 3.34Å
85	R	56.4	Low	72.1	Confident	129 Å²	129	76.7 Å²	76.7	49%	0.487	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-92.6	12	179.7	-67.5	-177.2	-166.3	-150.2	1.4	114	D82 P87 L273 S275	D82-R85 HydrophobicContact CB-CB 4.39Å; D82-R85 HydrophobicContact CB-CG 4.12Å; D82-R85 PolarHBondContact O-N 3.45Å; D82-R85 WeakPolarHBondContact OD2-CD 3.47Å; D82-R85 WeakPolarHBondContact OD2-CG 3.5Å; D82-R85 IonicContact OD2-CZ 3.39Å; D82-R85 IonicContact OD2-NE 2.72Å; D82-R85 PolarHBondContact OD2-NE 3.32Å; R85-P87 WeakPolarHBondContact O-CD 3.5Å; R85-L273 WeakPolarHBondContact O-CD2 3.22Å; R85-S275 WeakPolarHBondContact CD-O 3.47Å; R85-S275 PolarHBondContact NH1-O 2.75Å; R85-S275 PolarHBondContact NH1-OXT 3.39Å
86	V	53.7	Low	72	Confident	57 Å²	57	73.7 Å²	73.7	35%	0.345	38%	0.384	S	S	.	.			trans	-58	108.8	176.8	177.7	0	0	0	0	108.7	L80 P83 S84 S88 W91	L80-V86 HydrophobicContact CD1-CG2 3.7Å; P83-V86 WeakPolarHBondContact O-CG2 3.47Å; S84-V86 VanDerWaalsContact C-N 3.34Å; V86-S88 PolarHBondContact O-N 3.44Å; V86-W91 HydrophobicContact CG2-CZ2 4.49Å
87	P	52.2	Low	71.9	Confident	65 Å²	65	70.4 Å²	70.4	42%	0.422	37%	0.369	S	S	.	.			trans	-62.6	130.2	162.6	-8.4	24.8	0	0	0	105.4	R85 N89 L273	R85-P87 WeakPolarHBondContact O-CD 3.5Å; P87-N89 PolarHBondContact O-N 2.78Å; P87-L273 HydrophobicContact CG-CD2 4.47Å
88	S	54.7	Low	71.9	Confident	104 Å²	104	69.2 Å²	69.2	73%	0.727	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.8	125.9	168.1	30	0	0	0	0	110.8	V86	V86-S88 PolarHBondContact O-N 3.44Å
89	N	59	Low	72.1	Confident	123 Å²	123	70.6 Å²	70.6	66%	0.658	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	15.2	156.9	-79.8	5.6	0	0	0	123	E66 P87	E66-N89 WeakPolarHBondContact OE1-CA 3.44Å; E66-N89 PolarHBondContact OE1-N 3.32Å; P87-N89 PolarHBondContact O-N 2.78Å
90	N	78.1	Confident	73	Confident	73 Å²	73	68.7 Å²	68.7	39%	0.39	35%	0.35	S	S	.	.			trans	-139	44.1	-176.3	-80.1	-50.2	0	0	0	118.2	R92 L93 F94	N90-R92 PolarHBondContact O-N 2.8Å; N90-L93 HydrophobicContact CB-CB 4.09Å; N90-L93 WeakPolarHBondContact O-CB 3.19Å; N90-L93 PolarHBondContact O-N 2.71Å; N90-F94 PolarHBondContact O-N 2.63Å; N90-F94 VanDerWaalsContact O-N 3.09Å
91	W	85	Confident	74.1	Confident	27 Å²	27	71.3 Å²	71.3	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-53.3	-34.5	173	-81.3	96.9	0	0	0	114.7	W69 R70 C73 L80 V86 L93 F94 Y95	W69-W91 HydrophobicContact CB-CB 3.66Å; R70-W91 HydrophobicContact CB-CD2 3.85Å; R70-W91 HydrophobicContact CB-CE3 3.98Å; R70-W91 HydrophobicContact CB-CG 4.29Å; R70-W91 HydrophobicContact CB-CH2 4.49Å; R70-W91 HydrophobicContact CB-CZ2 4.41Å; R70-W91 HydrophobicContact CB-CZ3 4.3Å; R70-W91 HydrophobicContact CG-CD2 4.18Å; R70-W91 HydrophobicContact CG-CE3 4.16Å; R70-W91 HydrophobicContact CG-CH2 3.79Å; R70-W91 HydrophobicContact CG-CZ2 3.84Å; R70-W91 HydrophobicContact CG-CZ3 3.98Å; C73-W91 HydrophobicContact CB-CZ3 4.42Å; L80-W91 HydrophobicContact CD1-CH2 3.26Å; L80-W91 HydrophobicContact CD1-CZ2 3.72Å; L80-W91 HydrophobicContact CD1-CZ3 4.05Å; L80-W91 HydrophobicContact CG-CH2 3.81Å; L80-W91 HydrophobicContact CG-CZ3 4.21Å; V86-W91 HydrophobicContact CG2-CZ2 4.49Å; W91-L93 VanDerWaalsContact C-N 3.34Å; W91-L93 PolarHBondContact O-N 2.81Å; W91-F94 HydrophobicContact CE3-CD1 4.02Å; W91-F94 HydrophobicContact CZ3-CD1 4.02Å; W91-F94 HydrophobicContact CZ3-CE1 4.25Å; W91-F94 PolarHBondContact O-N 3.23Å; W91-Y95 PolarHBondContact O-N 3.4Å
92	R	88.4	Confident	75.8	Confident	74 Å²	74	65 Å²	65	28%	0.279	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-47.5	173.4	-178.6	171.9	67.5	-158.6	-4.1	111.5	D64 W69 N90 Y95 F96	D64-R92 IonicContact OD1-CZ 3.86Å; D64-R92 IonicContact OD1-NH1 2.77Å; D64-R92 PolarHBondContact OD1-NH1 2.82Å; W69-R92 HydrophobicContact CD2-CB 3.77Å; W69-R92 HydrophobicContact CD2-CG 3.85Å; W69-R92 VanDerWaalsContact CE2-CG 3.47Å; W69-R92 HydrophobicContact CE3-CG 4.31Å; W69-R92 HydrophobicContact CG-CB 3.76Å; W69-R92 HydrophobicContact CG-CG 4.36Å; W69-R92 HydrophobicContact CH2-CG 4.14Å; W69-R92 HydrophobicContact CZ2-CB 4.39Å; W69-R92 HydrophobicContact CZ2-CG 3.65Å; W69-R92 HydrophobicContact CZ3-CG 4.44Å; N90-R92 PolarHBondContact O-N 2.8Å; R92-Y95 WeakPolarHBondContact O-CB 3.45Å; R92-Y95 PolarHBondContact O-N 3.29Å; R92-F96 HydrophobicContact CG-CD2 3.93Å; R92-F96 HydrophobicContact CG-CE2 3.82Å; R92-F96 VanDerWaalsContact O-CD2 3.23Å; R92-F96 WeakPolarHBondContact O-CD2 3.16Å; R92-F96 PolarHBondContact O-N 2.87Å
93	L	85.8	Confident	77.6	Confident	36 Å²	36	65.2 Å²	65.2	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-45.6	-178.6	175.3	58.5	0	0	0	110.7	N90 W91 Y95 F96 L97 F169 F173	N90-L93 HydrophobicContact CB-CB 4.09Å; N90-L93 WeakPolarHBondContact O-CB 3.19Å; N90-L93 PolarHBondContact O-N 2.71Å; W91-L93 VanDerWaalsContact C-N 3.34Å; W91-L93 PolarHBondContact O-N 2.81Å; L93-Y95 VanDerWaalsContact C-N 3.26Å; L93-Y95 PolarHBondContact O-N 2.85Å; L93-F96 PolarHBondContact O-N 3.01Å; L93-F96 VanDerWaalsContact O-N 3.14Å; L93-L97 HydrophobicContact CD1-CD1 3.87Å; L93-L97 HydrophobicContact CD1-CG 3.83Å; L93-L97 HydrophobicContact CD2-CD1 4.31Å; L93-L97 HydrophobicContact CG-CD1 3.82Å; L93-L97 HydrophobicContact CG-CG 4.22Å; L93-L97 PolarHBondContact O-N 3.35Å; L93-F169 HydrophobicContact CD1-CD2 4.11Å; L93-F169 HydrophobicContact CD1-CE2 3.19Å; L93-F169 HydrophobicContact CD1-CZ 3.76Å; L93-F169 HydrophobicContact CD2-CE2 4.04Å; L93-F169 HydrophobicContact CG-CE2 4.21Å; L93-F173 HydrophobicContact CD2-CB 3.98Å; L93-F173 HydrophobicContact CD2-CD1 3.32Å; L93-F173 HydrophobicContact CD2-CE1 3.87Å; L93-F173 HydrophobicContact CD2-CG 3.7Å
94	F	86.4	Confident	79.6	Confident	7 Å²	7	60.5 Å²	60.5	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-51.1	-49.3	174.5	174.5	-106.9	0	0	0	111.2	C73 L80 N90 W91 F96 L97 S98 P271 L273	C73-F94 HydrophobicContact CB-CE1 4.39Å; L80-F94 HydrophobicContact CD2-CD1 4.45Å; L80-F94 HydrophobicContact CD2-CD2 4.13Å; L80-F94 HydrophobicContact CD2-CE1 3.94Å; L80-F94 HydrophobicContact CD2-CE2 3.53Å; L80-F94 HydrophobicContact CD2-CZ 3.43Å; L80-F94 VanDerWaalsContact CD2-CZ 3.43Å; L80-F94 HydrophobicContact CG-CZ 4.33Å; N90-F94 PolarHBondContact O-N 2.63Å; N90-F94 VanDerWaalsContact O-N 3.09Å; W91-F94 HydrophobicContact CE3-CD1 4.02Å; W91-F94 HydrophobicContact CZ3-CD1 4.02Å; W91-F94 HydrophobicContact CZ3-CE1 4.25Å; W91-F94 PolarHBondContact O-N 3.23Å; F94-F96 PolarHBondContact O-N 3.03Å; F94-L97 PolarHBondContact O-N 3.14Å; F94-S98 VanDerWaalsContact CE2-OG 3.27Å; F94-S98 WeakPolarHBondContact CE2-OG 3.23Å; F94-S98 WeakPolarHBondContact CZ-OG 3.21Å; F94-S98 VanDerWaalsContact O-CB 3.26Å; F94-S98 WeakPolarHBondContact O-CB 3.36Å; F94-S98 PolarHBondContact O-N 3.32Å; F94-S98 PolarHBondContact O-OG 3.2Å; F94-P271 HydrophobicContact CD2-CB 3.42Å; F94-P271 VanDerWaalsContact CD2-CB 3.42Å; F94-P271 HydrophobicContact CD2-CG 4.23Å; F94-P271 HydrophobicContact CE2-CB 3.63Å; F94-P271 HydrophobicContact CE2-CG 3.94Å; F94-L273 HydrophobicContact CB-CD1 3.77Å; F94-L273 HydrophobicContact CD2-CB 4.02Å; F94-L273 HydrophobicContact CD2-CD1 3.14Å; F94-L273 HydrophobicContact CD2-CG 4.15Å; F94-L273 HydrophobicContact CE2-CB 3.91Å; F94-L273 HydrophobicContact CE2-CD1 3.84Å; F94-L273 HydrophobicContact CE2-CG 4.49Å; F94-L273 HydrophobicContact CG-CD1 3.61Å
95	Y	89.2	Confident	81.8	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-54.8	-50.5	177.8	175.9	-95	0	0	0	112.4	P45 W69 R72 Q76 Y78 W91 R92 L93 K99	P45-Y95 HydrophobicContact CB-CD1 4.34Å; P45-Y95 HydrophobicContact CB-CE1 3.48Å; P45-Y95 VanDerWaalsContact CB-CE1 3.48Å; P45-Y95 HydrophobicContact CG-CE1 3.71Å; W69-Y95 AromaticContact CE3-CD1 3.87Å; W69-Y95 HydrophobicContact CE3-CD1 3.87Å; W69-Y95 AromaticContact CE3-CG 3.88Å; W69-Y95 HydrophobicContact CE3-CG 3.88Å; W69-Y95 AromaticContact CZ3-CD1 3.53Å; W69-Y95 HydrophobicContact CZ3-CD1 3.53Å; W69-Y95 AromaticContact CZ3-CE1 3.99Å; W69-Y95 HydrophobicContact CZ3-CE1 3.99Å; W69-Y95 HydrophobicContact CZ3-CG 4.04Å; R72-Y95 HydrophobicContact CG-CD2 4.21Å; R72-Y95 HydrophobicContact CG-CE2 3.77Å; R72-Y95 PolarHBondContact NE-OH 2.89Å; Q76-Y95 VanDerWaalsContact CD-OH 3.3Å; Q76-Y95 PolarHBondContact NE2-OH 2.67Å; Q76-Y95 PolarHBondContact OE1-OH 2.97Å; Y78-Y95 AromaticContact CD2-CD2 3.95Å; Y78-Y95 HydrophobicContact CD2-CD2 3.95Å; Y78-Y95 AromaticContact CD2-CE2 3.98Å; Y78-Y95 HydrophobicContact CD2-CE2 3.98Å; Y78-Y95 HydrophobicContact CE2-CD2 4.13Å; Y78-Y95 AromaticContact CE2-CE2 3.78Å; Y78-Y95 HydrophobicContact CE2-CE2 3.78Å; W91-Y95 PolarHBondContact O-N 3.4Å; R92-Y95 WeakPolarHBondContact O-CB 3.45Å; R92-Y95 PolarHBondContact O-N 3.29Å; L93-Y95 VanDerWaalsContact C-N 3.26Å; L93-Y95 PolarHBondContact O-N 2.85Å; Y95-K99 HydrophobicContact CE1-CD 4.07Å; Y95-K99 VanDerWaalsContact O-CB 3.25Å; Y95-K99 WeakPolarHBondContact O-CB 3.42Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 PolarHBondContact OH-NZ 3Å
96	F	89.4	Confident	83.8	Confident	42 Å²	42	54.4 Å²	54.4	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-36.4	-177.2	-78.1	-73.4	0	0	0	113	P45 V49 W69 R92 L93 F94 K100	P45-F96 HydrophobicContact CB-CE1 4.01Å; P45-F96 HydrophobicContact CB-CZ 3.81Å; P45-F96 HydrophobicContact CG-CE1 4.23Å; V49-F96 HydrophobicContact CG2-CE2 3.9Å; V49-F96 HydrophobicContact CG2-CZ 4.02Å; W69-F96 AromaticContact CH2-CE2 3.62Å; W69-F96 HydrophobicContact CH2-CE2 3.62Å; W69-F96 AromaticContact CH2-CZ 3.95Å; W69-F96 HydrophobicContact CH2-CZ 3.95Å; W69-F96 HydrophobicContact CZ2-CE2 4.36Å; W69-F96 AromaticContact CZ3-CE2 3.85Å; W69-F96 HydrophobicContact CZ3-CE2 3.85Å; W69-F96 HydrophobicContact CZ3-CZ 4.25Å; R92-F96 HydrophobicContact CG-CD2 3.93Å; R92-F96 HydrophobicContact CG-CE2 3.82Å; R92-F96 VanDerWaalsContact O-CD2 3.23Å; R92-F96 WeakPolarHBondContact O-CD2 3.16Å; R92-F96 PolarHBondContact O-N 2.87Å; L93-F96 PolarHBondContact O-N 3.01Å; L93-F96 VanDerWaalsContact O-N 3.14Å; F94-F96 PolarHBondContact O-N 3.03Å; F96-K100 WeakPolarHBondContact O-CB 3.42Å; F96-K100 WeakPolarHBondContact O-CG 2.96Å; F96-K100 PolarHBondContact O-N 2.89Å
97	L	88.8	Confident	85.9	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-49.2	174.5	-76.8	177.9	0	0	0	111.2	L93 F94 K99 K100 R101 Y165 F169 P175 I269 P271	L93-L97 HydrophobicContact CD1-CD1 3.87Å; L93-L97 HydrophobicContact CD1-CG 3.83Å; L93-L97 HydrophobicContact CD2-CD1 4.31Å; L93-L97 HydrophobicContact CG-CD1 3.82Å; L93-L97 HydrophobicContact CG-CG 4.22Å; L93-L97 PolarHBondContact O-N 3.35Å; F94-L97 PolarHBondContact O-N 3.14Å; L97-K99 VanDerWaalsContact C-N 3.27Å; L97-K99 PolarHBondContact O-N 3.35Å; L97-K100 CarbonylContact O-C 3.59Å; L97-K100 PolarHBondContact O-N 2.88Å; L97-K100 VanDerWaalsContact O-N 3.11Å; L97-R101 PolarHBondContact O-N 3.41Å; L97-Y165 HydrophobicContact CD2-CE1 4.12Å; L97-F169 HydrophobicContact CD1-CZ 4.14Å; L97-F169 HydrophobicContact CD2-CE1 4.01Å; L97-F169 HydrophobicContact CD2-CZ 3.65Å; L97-F169 HydrophobicContact CG-CZ 4.16Å; L97-P175 HydrophobicContact CD1-CB 3.99Å; L97-I269 HydrophobicContact CD2-CG2 4.02Å; L97-P271 HydrophobicContact CB-CB 4.1Å
98	S	88.6	Confident	88.1	Confident	18 Å²	18	50.8 Å²	50.8	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-40.4	176.9	-64.4	0	0	0	0	111.8	F94 R101	F94-S98 VanDerWaalsContact CE2-OG 3.27Å; F94-S98 WeakPolarHBondContact CE2-OG 3.23Å; F94-S98 WeakPolarHBondContact CZ-OG 3.21Å; F94-S98 VanDerWaalsContact O-CB 3.26Å; F94-S98 WeakPolarHBondContact O-CB 3.36Å; F94-S98 PolarHBondContact O-N 3.32Å; F94-S98 PolarHBondContact O-OG 3.2Å; S98-R101 WeakPolarHBondContact O-CB 3.47Å
99	K	88.9	Confident	90.1	Very high	95 Å²	95	48.5 Å²	48.5	41%	0.413	22%	0.221	S	C	.	.	H	α-helix	trans	-69.5	-32.7	176.7	-174.8	167.9	-172.5	166.6	0	113.8	Y78 Y95 L97	Y78-K99 HydrophobicContact CE2-CB 4.34Å; Y95-K99 HydrophobicContact CE1-CD 4.07Å; Y95-K99 VanDerWaalsContact O-CB 3.25Å; Y95-K99 WeakPolarHBondContact O-CB 3.42Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 PolarHBondContact OH-NZ 3Å; L97-K99 VanDerWaalsContact C-N 3.27Å; L97-K99 PolarHBondContact O-N 3.35Å
100	K	90.6	Very high	92	Very high	88 Å²	88	42.6 Å²	42.6	38%	0.383	19%	0.19	S	C	.	.	H	α-helix	trans	-88.1	-11	179	-77.1	-175.5	170.6	-176.3	0	113.5	F96 L97 R102 G164	F96-K100 WeakPolarHBondContact O-CB 3.42Å; F96-K100 WeakPolarHBondContact O-CG 2.96Å; F96-K100 PolarHBondContact O-N 2.89Å; L97-K100 CarbonylContact O-C 3.59Å; L97-K100 PolarHBondContact O-N 2.88Å; L97-K100 VanDerWaalsContact O-N 3.11Å; K100-R102 PolarHBondContact O-N 2.93Å; K100-R102 PolarHBondContact O-NH1 3.43Å; K100-G164 PolarHBondContact NZ-O 3.1Å
101	R	90.6	Very high	92.9	Very high	85 Å²	85	44.2 Å²	44.2	32%	0.321	20%	0.195	S	C	.	.			trans	-57.5	123.2	-175.8	-172.3	-173.1	-177	166.3	14.2	110.8	L97 S98 E268 D274	L97-R101 PolarHBondContact O-N 3.41Å; S98-R101 WeakPolarHBondContact O-CB 3.47Å; R101-E268 IonicContact CZ-OE2 2.72Å; R101-E268 IonicContact NE-OE2 3.85Å; R101-E268 PolarHBondContact NE-OE2 3.45Å; R101-E268 IonicContact NH2-OE2 3.34Å; R101-E268 PolarHBondContact NH2-OE2 2.74Å; R101-D274 IonicContact CZ-OD2 3.45Å; R101-D274 IonicContact NH1-OD2 3.29Å; R101-D274 PolarHBondContact NH1-OD2 3.14Å; R101-D274 IonicContact NH2-OD2 3.59Å
102	R	95.8	Very high	93.5	Very high	91 Å²	91	48 Å²	48	34%	0.343	22%	0.217	S	C	.	.			trans	-165.8	159.9	177.4	67	-166.4	-177	-73.3	-0.7	108.7	K100 L104 E163	K100-R102 PolarHBondContact O-N 2.93Å; K100-R102 PolarHBondContact O-NH1 3.43Å; R102-L104 HydrophobicContact CG-CD2 4.02Å; R102-L104 PolarHBondContact O-N 2.93Å; R102-E163 IonicContact CZ-OE2 3.31Å; R102-E163 IonicContact NE-OE2 3.62Å; R102-E163 PolarHBondContact NH2-O 3.26Å; R102-E163 IonicContact NH2-OE2 2.97Å; R102-E163 PolarHBondContact NH2-OE2 2.81Å
103	N	98	Very high	93.8	Very high	48 Å²	48	51 Å²	51	26%	0.257	24%	0.235	S	C	.	.			trans	-65	126.5	168.8	-171.3	-1.2	0	0	0	110.2	I105 S265 C266 V267	N103-I105 WeakPolarHBondContact OD1-CB 3.38Å; N103-I105 PolarHBondContact OD1-N 3.38Å; N103-S265 PolarHBondContact ND2-O 3.24Å; N103-C266 VanDerWaalsContact OD1-CA 3.32Å; N103-C266 WeakPolarHBondContact OD1-CA 3.2Å; N103-C266 PolarHBondContact OD1-SG 3.28Å; N103-V267 PolarHBondContact OD1-N 3.4Å; N103-V267 VanDerWaalsContact OD1-N 3.13Å
104	L	98.7	Very high	94.4	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	24%	0.238	C	C	.	.			trans	-88.4	-18.3	178	-57.3	-172.9	0	0	0	112.9	R102 K106 I158 L160 E163 Y165 V267 I269	R102-L104 HydrophobicContact CG-CD2 4.02Å; R102-L104 PolarHBondContact O-N 2.93Å; L104-K106 PolarHBondContact O-N 2.87Å; L104-I158 HydrophobicContact CB-CD1 3.93Å; L104-I158 HydrophobicContact CB-CG1 4.46Å; L104-I158 HydrophobicContact CB-CG2 4.02Å; L104-I158 HydrophobicContact CD1-CG2 4.02Å; L104-L160 HydrophobicContact CD1-CD2 4.16Å; L104-E163 HydrophobicContact CD1-CB 4.49Å; L104-E163 HydrophobicContact CD2-CB 4.19Å; L104-E163 HydrophobicContact CD2-CG 4.2Å; L104-Y165 HydrophobicContact CD1-CE2 4.03Å; L104-Y165 HydrophobicContact CD2-CE2 4.25Å; L104-V267 HydrophobicContact CB-CB 4.46Å; L104-V267 WeakPolarHBondContact CB-O 3.07Å; L104-V267 WeakPolarHBondContact CG-O 3.16Å; L104-V267 PolarHBondContact N-O 3.44Å; L104-I269 HydrophobicContact CD1-CD1 4.46Å; L104-I269 HydrophobicContact CD1-CG1 3.98Å
105	I	98.6	Very high	94.9	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	-67.8	129.1	172.4	-65.3	-69.7	0	0	0	109.2	N103 P108 W117 Q156 I158 F244 V267	N103-I105 WeakPolarHBondContact OD1-CB 3.38Å; N103-I105 PolarHBondContact OD1-N 3.38Å; I105-P108 HydrophobicContact CG2-CB 4.02Å; I105-W117 HydrophobicContact CD1-CH2 4.42Å; I105-W117 HydrophobicContact CG2-CH2 4.02Å; I105-W117 HydrophobicContact CG2-CZ2 3.57Å; I105-Q156 HydrophobicContact CD1-CB 4.11Å; I105-I158 HydrophobicContact CD1-CD1 3.85Å; I105-I158 HydrophobicContact CG1-CD1 4.37Å; I105-F244 HydrophobicContact CD1-CB 3.85Å; I105-F244 HydrophobicContact CD1-CD1 4.28Å; I105-F244 HydrophobicContact CD1-CD2 4.34Å; I105-F244 HydrophobicContact CD1-CG 3.92Å; I105-V267 HydrophobicContact CD1-CG2 3.91Å; I105-V267 HydrophobicContact CG1-CB 4.14Å; I105-V267 HydrophobicContact CG1-CG2 3.82Å
106	K	98.4	Very high	95.3	Very high	95 Å²	95	60.4 Å²	60.4	41%	0.413	29%	0.289	S	S	.	.	S	Bend	trans	-85	146.4	172.6	-50.5	-52.8	179.7	-161.4	0	109.8	L104 W117 Q156 E163	L104-K106 PolarHBondContact O-N 2.87Å; K106-W117 PolarHBondContact O-NE1 3.35Å; K106-Q156 PolarHBondContact O-NE2 3.43Å; K106-E163 WeakPolarHBondContact CE-OE1 3.24Å; K106-E163 IonicContact NZ-OE1 3.68Å; K106-E163 PolarHBondContact NZ-OE1 3.33Å; K106-E163 IonicContact NZ-OE2 2.81Å
107	N	98.3	Very high	95.7	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.102	28%	0.284	C	S	.	.	S	Bend	trans	46.6	55.7	178	-175.6	24.3	0	0	0	113.4	R109 A110 E111 D112 E113 Q115 W117	N107-R109 PolarHBondContact O-N 2.82Å; N107-A110 VanDerWaalsContact OD1-CA 3.28Å; N107-A110 WeakPolarHBondContact OD1-CA 3.4Å; N107-A110 PolarHBondContact OD1-N 2.83Å; N107-E111 PolarHBondContact OD1-N 3.44Å; N107-D112 PolarHBondContact ND2-O 3.17Å; N107-D112 PolarHBondContact OD1-N 2.97Å; N107-E113 PolarHBondContact ND2-O 3.1Å; N107-Q115 VanDerWaalsContact CB-O 3.23Å; N107-Q115 WeakPolarHBondContact CB-O 3.39Å; N107-Q115 PolarHBondContact ND2-O 3.26Å; N107-Q115 VanDerWaalsContact ND2-O 3.16Å; N107-W117 PolarHBondContact O-NE1 3.49Å
108	P	98.3	Very high	96.2	Very high	27 Å²	27	66.7 Å²	66.7	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.7	-176.3	30.2	-36.8	0	0	0	113.1	I105 T263 E264 S265	I105-P108 HydrophobicContact CG2-CB 4.02Å; P108-T263 CarbonylContact O-C 3.55Å; P108-E264 PolarHBondContact O-N 3.42Å; P108-S265 WeakPolarHBondContact CB-O 3.46Å
109	R	98.1	Very high	96.7	Very high	56 Å²	56	68.6 Å²	68.6	21%	0.211	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	16	-173	-65.3	176.5	-175.4	149.2	4.6	114.2	N107 E111 N138 V141 K143 E264	N107-R109 PolarHBondContact O-N 2.82Å; R109-E111 HydrophobicContact CB-CG 4.18Å; R109-E111 PolarHBondContact O-N 3.09Å; R109-N138 PolarHBondContact NH2-ND2 2.7Å; R109-V141 HydrophobicContact CG-CG2 4.28Å; R109-K143 WeakPolarHBondContact O-CB 3.49Å; R109-E264 HydrophobicContact CG-CB 4.46Å; R109-E264 IonicContact CZ-OE1 3.24Å; R109-E264 IonicContact NE-OE1 2.71Å; R109-E264 IonicContact NH2-OE1 3.43Å; R109-E264 PolarHBondContact NH2-OE1 3.36Å
110	A	97.6	Very high	97.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	57.9	28.7	-179.4	0	0	0	0	0	114.3	N107 I129 K143 F145	N107-A110 VanDerWaalsContact OD1-CA 3.28Å; N107-A110 WeakPolarHBondContact OD1-CA 3.4Å; N107-A110 PolarHBondContact OD1-N 2.83Å; A110-I129 HydrophobicContact CB-CD1 4.06Å; A110-I129 HydrophobicContact CB-CG1 4.02Å; A110-I129 HydrophobicContact CB-CG2 3.74Å; A110-K143 HydrophobicContact CB-CB 4.15Å; A110-K143 WeakPolarHBondContact O-CD 3.21Å; A110-F145 VanDerWaalsContact CA-CZ 3.49Å; A110-F145 HydrophobicContact CB-CD1 3.88Å; A110-F145 HydrophobicContact CB-CD2 3.98Å; A110-F145 HydrophobicContact CB-CE1 3.52Å; A110-F145 HydrophobicContact CB-CE2 3.63Å; A110-F145 HydrophobicContact CB-CG 4.11Å; A110-F145 HydrophobicContact CB-CZ 3.4Å
111	E	97.3	Very high	97.5	Very high	106 Å²	106	65.6 Å²	65.6	50%	0.495	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-40	179.6	-70.8	175.4	-163.5	0	0	110.5	N107 R109 K143	N107-E111 PolarHBondContact OD1-N 3.44Å; R109-E111 HydrophobicContact CB-CG 4.18Å; R109-E111 PolarHBondContact O-N 3.09Å; E111-K143 PolarHBondContact O-NZ 3.49Å
112	D	97	Very high	97.9	Very high	107 Å²	107	64.5 Å²	64.5	57%	0.572	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	52.9	-176.6	-61.9	-39.5	0	0	0	111.6	N107 F114 Q115	N107-D112 PolarHBondContact ND2-O 3.17Å; N107-D112 PolarHBondContact OD1-N 2.97Å; D112-F114 PolarHBondContact O-N 3.22Å; D112-Q115 HydrophobicContact CB-CB 4.18Å; D112-Q115 HydrophobicContact CB-CG 4.4Å; D112-Q115 VanDerWaalsContact O-CB 3.24Å; D112-Q115 WeakPolarHBondContact O-CB 3.45Å; D112-Q115 VanDerWaalsContact O-CG 3.26Å; D112-Q115 WeakPolarHBondContact O-CG 3.34Å; D112-Q115 PolarHBondContact O-N 3.49Å
113	E	96.2	Very high	98	Very high	137 Å²	137	61.1 Å²	61.1	64%	0.64	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	-125.1	-177.7	-59.7	-176.3	167.5	0	0	112.1	N107 I129 F145	N107-E113 PolarHBondContact ND2-O 3.1Å; E113-I129 VanDerWaalsContact C-CD1 3.46Å; E113-I129 HydrophobicContact CB-CD1 4.27Å; E113-I129 WeakPolarHBondContact O-CD1 3.32Å; E113-F145 WeakPolarHBondContact O-CE1 3.5Å
114	F	97.3	Very high	98	Very high	59 Å²	59	60.2 Å²	60.2	26%	0.259	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	14.6	174.7	-63.8	-86	0	0	0	112.8	D112 G116 W117 I119 W127 I129 F145	D112-F114 PolarHBondContact O-N 3.22Å; F114-G116 PolarHBondContact O-N 2.88Å; F114-W117 WeakPolarHBondContact O-CB 3.29Å; F114-W117 PolarHBondContact O-N 2.94Å; F114-I119 HydrophobicContact CD1-CD1 3.71Å; F114-I119 HydrophobicContact CE1-CD1 4.17Å; F114-I119 HydrophobicContact CG-CD1 4.38Å; F114-W127 HydrophobicContact CE1-CB 3.49Å; F114-W127 VanDerWaalsContact CE1-CB 3.49Å; F114-W127 HydrophobicContact CE1-CD2 4.45Å; F114-W127 AromaticContact CE1-CG 3.93Å; F114-W127 HydrophobicContact CE1-CG 3.93Å; F114-W127 HydrophobicContact CE2-CB 4.49Å; F114-W127 HydrophobicContact CZ-CB 3.37Å; F114-W127 HydrophobicContact CZ-CG 4.3Å; F114-I129 HydrophobicContact CD2-CD1 4.16Å; F114-I129 HydrophobicContact CE2-CD1 3.85Å; F114-I129 HydrophobicContact CE2-CG1 4.11Å; F114-I129 HydrophobicContact CZ-CD1 4.12Å; F114-I129 HydrophobicContact CZ-CG1 3.96Å; F114-F145 AromaticContact CD1-CD1 3.89Å; F114-F145 HydrophobicContact CD1-CD1 3.89Å; F114-F145 AromaticContact CD1-CE1 3.65Å; F114-F145 HydrophobicContact CD1-CE1 3.65Å; F114-F145 AromaticContact CE1-CD1 3.45Å; F114-F145 HydrophobicContact CE1-CD1 3.45Å; F114-F145 VanDerWaalsContact CE1-CD1 3.45Å; F114-F145 AromaticContact CE1-CE1 3.71Å; F114-F145 HydrophobicContact CE1-CE1 3.71Å; F114-F145 HydrophobicContact CG-CE1 4.36Å; F114-F145 HydrophobicContact CZ-CD1 4.08Å; F114-F145 HydrophobicContact CZ-CE1 4.43Å
115	Q	98.1	Very high	97.9	Very high	134 Å²	134	63.3 Å²	63.3	63%	0.626	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	135.4	179.7	-68.7	-60.6	-35	0	0	111	N107 D112 W117	N107-Q115 VanDerWaalsContact CB-O 3.23Å; N107-Q115 WeakPolarHBondContact CB-O 3.39Å; N107-Q115 PolarHBondContact ND2-O 3.26Å; N107-Q115 VanDerWaalsContact ND2-O 3.16Å; D112-Q115 HydrophobicContact CB-CB 4.18Å; D112-Q115 HydrophobicContact CB-CG 4.4Å; D112-Q115 VanDerWaalsContact O-CB 3.24Å; D112-Q115 WeakPolarHBondContact O-CB 3.45Å; D112-Q115 VanDerWaalsContact O-CG 3.26Å; D112-Q115 WeakPolarHBondContact O-CG 3.34Å; D112-Q115 PolarHBondContact O-N 3.49Å; Q115-W117 PolarHBondContact O-N 3.34Å
116	G	97.1	Very high	97.9	Very high	47 Å²	47	68.2 Å²	68.2	49%	0.485	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-19.9	-174.2	0	0	0	0	0	115	F114 Q156	F114-G116 PolarHBondContact O-N 2.88Å; G116-Q156 WeakPolarHBondContact O-CG 3.37Å
117	W	98.6	Very high	97.9	Very high	18 Å²	18	64.4 Å²	64.4	7%	0.068	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-95.3	131.8	179.5	-67.3	97.2	0	0	0	111.9	I105 K106 N107 F114 Q115 F145 K154 Q156 F244 H246	I105-W117 HydrophobicContact CD1-CH2 4.42Å; I105-W117 HydrophobicContact CG2-CH2 4.02Å; I105-W117 HydrophobicContact CG2-CZ2 3.57Å; K106-W117 PolarHBondContact O-NE1 3.35Å; N107-W117 PolarHBondContact O-NE1 3.49Å; F114-W117 WeakPolarHBondContact O-CB 3.29Å; F114-W117 PolarHBondContact O-N 2.94Å; Q115-W117 PolarHBondContact O-N 3.34Å; W117-F145 AromaticContact CD1-CZ 3.93Å; W117-F145 AromaticContact NE1-CZ 3.84Å; W117-K154 HydrophobicContact CB-CB 4.48Å; W117-K154 HydrophobicContact CB-CD 4.17Å; W117-K154 HydrophobicContact CD2-CD 3.88Å; W117-K154 HydrophobicContact CD2-CG 4.17Å; W117-K154 HydrophobicContact CE3-CB 4.18Å; W117-K154 HydrophobicContact CE3-CD 3.96Å; W117-K154 HydrophobicContact CE3-CG 3.7Å; W117-K154 HydrophobicContact CG-CD 3.98Å; W117-K154 HydrophobicContact CZ3-CG 4.19Å; W117-Q156 HydrophobicContact CD2-CG 4.14Å; W117-Q156 HydrophobicContact CE3-CB 4.19Å; W117-Q156 HydrophobicContact CE3-CG 3.95Å; W117-Q156 VanDerWaalsContact CZ2-NE2 3.27Å; W117-Q156 HydrophobicContact CZ3-CB 4.09Å; W117-Q156 HydrophobicContact CZ3-CG 4.28Å; W117-F244 AromaticContact CH2-CD1 3.82Å; W117-F244 HydrophobicContact CH2-CD1 3.82Å; W117-F244 AromaticContact CH2-CE1 3.98Å; W117-F244 HydrophobicContact CH2-CE1 3.98Å; W117-F244 AromaticContact CZ3-CD1 3.97Å; W117-F244 HydrophobicContact CZ3-CD1 3.97Å; W117-F244 HydrophobicContact CZ3-CE1 4.42Å; W117-H246 AromaticContact CH2-NE2 3.86Å; W117-H246 AromaticContact CZ3-NE2 3.99Å
118	R	98.7	Very high	97.9	Very high	164 Å²	164	67.3 Å²	67.3	62%	0.619	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	120	167.1	176.3	171.4	174.2	-145.8	10.3	109.2	L120 K154 E155	R118-L120 PolarHBondContact O-N 2.81Å; R118-K154 CarbonylContact O-C 3.56Å; R118-K154 VanDerWaalsContact O-CA 3.29Å; R118-K154 WeakPolarHBondContact O-CA 3.49Å; R118-E155 HydrophobicContact CB-CG 3.84Å; R118-E155 VanDerWaalsContact CD-OE1 3.32Å; R118-E155 WeakPolarHBondContact CD-OE1 3.47Å; R118-E155 HydrophobicContact CG-CG 4.27Å; R118-E155 IonicContact CZ-OE1 3.7Å; R118-E155 PolarHBondContact N-O 3.41Å; R118-E155 IonicContact NE-OE1 3.57Å; R118-E155 IonicContact NH1-OE1 2.68Å; R118-E155 PolarHBondContact NH1-OE1 2.84Å; R118-E155 PolarHBondContact O-N 2.88Å
119	I	98.6	Very high	98	Very high	58 Å²	58	68.1 Å²	68.1	30%	0.297	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.8	174.6	-54.5	-54	0	0	0	109	F114 D121 N122 K154	F114-I119 HydrophobicContact CD1-CD1 3.71Å; F114-I119 HydrophobicContact CE1-CD1 4.17Å; F114-I119 HydrophobicContact CG-CD1 4.38Å; I119-D121 WeakPolarHBondContact CG2-O 3.41Å; I119-N122 HydrophobicContact CG2-CB 3.76Å; I119-K154 HydrophobicContact CD1-CB 3.73Å; I119-K154 HydrophobicContact CD1-CD 4.38Å
120	L	98.6	Very high	97.9	Very high	68 Å²	68	67 Å²	67	36%	0.356	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-44.8	175.7	-66.3	-176.7	0	0	0	110.8	R118 R153 E155 T245	R118-L120 PolarHBondContact O-N 2.81Å; L120-R153 HydrophobicContact CB-CB 4.22Å; L120-R153 PolarHBondContact N-O 2.9Å; L120-E155 HydrophobicContact CD1-CB 3.96Å; L120-E155 HydrophobicContact CD1-CG 4.12Å; L120-E155 HydrophobicContact CD2-CG 3.91Å; L120-E155 HydrophobicContact CG-CB 4.19Å; L120-E155 HydrophobicContact CG-CG 3.93Å; L120-T245 HydrophobicContact CD1-CG2 3.8Å
121	D	98.4	Very high	97.9	Very high	51 Å²	51	74.6 Å²	74.6	27%	0.273	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.1	177.9	-53.9	-100.6	0	0	0	109.4	I119 W127 W151 C152 R153	I119-D121 WeakPolarHBondContact CG2-O 3.41Å; D121-W127 PolarHBondContact O-NE1 3.39Å; D121-W151 WeakPolarHBondContact CB-O 3.28Å; D121-C152 CarbonylContact O-C 3.53Å; D121-C152 VanDerWaalsContact O-CA 3.3Å; D121-C152 WeakPolarHBondContact O-CA 3.44Å; D121-R153 HydrophobicContact CB-CB 4.29Å; D121-R153 VanDerWaalsContact CG-NH2 3.3Å; D121-R153 PolarHBondContact N-O 2.93Å; D121-R153 VanDerWaalsContact N-O 3.1Å; D121-R153 PolarHBondContact O-N 2.82Å; D121-R153 IonicContact OD1-NH2 3.64Å; D121-R153 PolarHBondContact OD1-NH2 2.85Å; D121-R153 IonicContact OD2-CZ 3.66Å; D121-R153 IonicContact OD2-NE 3.79Å; D121-R153 PolarHBondContact OD2-NE 2.82Å; D121-R153 IonicContact OD2-NH2 3.54Å; D121-R153 PolarHBondContact OD2-NH2 2.92Å
122	N	97.9	Very high	97.8	Very high	62 Å²	62	70.9 Å²	70.9	33%	0.332	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	51.4	-175.8	-149.5	17.8	0	0	0	110.4	I119 Q126 W127	I119-N122 HydrophobicContact CG2-CB 3.76Å; N122-Q126 HydrophobicContact CB-CG 4.34Å; N122-Q126 VanDerWaalsContact CG-CB 3.46Å; N122-Q126 WeakPolarHBondContact ND2-CB 3.21Å; N122-Q126 VanDerWaalsContact ND2-CD 3.33Å; N122-Q126 WeakPolarHBondContact ND2-CG 3.36Å; N122-Q126 PolarHBondContact ND2-OE1 3.26Å; N122-Q126 WeakPolarHBondContact OD1-CA 3.25Å; N122-Q126 WeakPolarHBondContact OD1-CB 3.25Å; N122-W127 PolarHBondContact OD1-N 2.88Å
123	G	97.6	Very high	97.6	Very high	20 Å²	20	69.3 Å²	69.3	21%	0.206	35%	0.353	C	S	.	.			trans	-68	163.1	-174.4	0	0	0	0	0	113.9	N125 Q126 S148 W151 C152	G123-N125 PolarHBondContact O-N 3.33Å; G123-Q126 WeakPolarHBondContact O-CA 3.19Å; G123-Q126 PolarHBondContact O-N 3.29Å; G123-S148 WeakPolarHBondContact O-CB 3.44Å; G123-W151 WeakPolarHBondContact CA-O 3.25Å; G123-W151 PolarHBondContact N-O 3.11Å; G123-C152 PolarHBondContact O-SG 2.87Å; G123-C152 VanDerWaalsContact O-SG 3.36Å
124	G	97.9	Very high	97.6	Very high	30 Å²	30	64.8 Å²	64.8	31%	0.309	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-131.4	176.5	0	0	0	0	0	112.8	Q126 Y149	G124-Q126 PolarHBondContact O-N 2.95Å; G124-Y149 WeakPolarHBondContact CA-OH 3.24Å
125	N	98.4	Very high	97.4	Very high	66 Å²	66	70.6 Å²	70.6	35%	0.353	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	21.7	172	-68.3	117.4	0	0	0	113.7	G123 S148 Y149 G256 W257	G123-N125 PolarHBondContact O-N 3.33Å; N125-S148 PolarHBondContact N-OG 3.27Å; N125-Y149 WeakPolarHBondContact OD1-CE1 3.29Å; N125-G256 PolarHBondContact OD1-N 2.86Å; N125-W257 HydrophobicContact CB-CH2 4.33Å; N125-W257 HydrophobicContact CB-CZ2 3.85Å; N125-W257 VanDerWaalsContact O-CZ2 3.27Å; N125-W257 WeakPolarHBondContact O-CZ2 2.93Å; N125-W257 PolarHBondContact O-NE1 3.48Å
126	Q	98.5	Very high	97.4	Very high	109 Å²	109	65 Å²	65	51%	0.509	34%	0.336	S	S	.	.			trans	65.9	176.5	175.6	-58.6	-176.3	6.8	0	0	113	N122 G123 G124 W257	N122-Q126 HydrophobicContact CB-CG 4.34Å; N122-Q126 VanDerWaalsContact CG-CB 3.46Å; N122-Q126 WeakPolarHBondContact ND2-CB 3.21Å; N122-Q126 VanDerWaalsContact ND2-CD 3.33Å; N122-Q126 WeakPolarHBondContact ND2-CG 3.36Å; N122-Q126 PolarHBondContact ND2-OE1 3.26Å; N122-Q126 WeakPolarHBondContact OD1-CA 3.25Å; N122-Q126 WeakPolarHBondContact OD1-CB 3.25Å; G123-Q126 WeakPolarHBondContact O-CA 3.19Å; G123-Q126 PolarHBondContact O-N 3.29Å; G124-Q126 PolarHBondContact O-N 2.95Å; Q126-W257 VanDerWaalsContact O-CD1 3.31Å; Q126-W257 PolarHBondContact O-NE1 3.39Å
127	W	98.5	Very high	97.3	Very high	15 Å²	15	67.1 Å²	67.1	6%	0.057	34%	0.344	C	S	.	.			trans	-63.3	143.9	167.2	-74.4	101.9	0	0	0	111	F114 D121 N122 F145 T147 C152 K154 V262	F114-W127 HydrophobicContact CE1-CB 3.49Å; F114-W127 VanDerWaalsContact CE1-CB 3.49Å; F114-W127 HydrophobicContact CE1-CD2 4.45Å; F114-W127 AromaticContact CE1-CG 3.93Å; F114-W127 HydrophobicContact CE1-CG 3.93Å; F114-W127 HydrophobicContact CE2-CB 4.49Å; F114-W127 HydrophobicContact CZ-CB 3.37Å; F114-W127 HydrophobicContact CZ-CG 4.3Å; D121-W127 PolarHBondContact O-NE1 3.39Å; N122-W127 PolarHBondContact OD1-N 2.88Å; W127-F145 HydrophobicContact CE3-CB 3.78Å; W127-F145 HydrophobicContact CZ3-CB 3.64Å; W127-T147 HydrophobicContact CD2-CG2 4.42Å; W127-T147 HydrophobicContact CE3-CG2 3.89Å; W127-T147 HydrophobicContact CH2-CG2 3.3Å; W127-T147 HydrophobicContact CZ2-CG2 3.86Å; W127-T147 HydrophobicContact CZ3-CG2 3.31Å; W127-C152 HydrophobicContact CD2-CB 3.85Å; W127-C152 VanDerWaalsContact CE2-CB 3.47Å; W127-C152 HydrophobicContact CG-CB 4.11Å; W127-C152 HydrophobicContact CZ2-CB 3.9Å; W127-C152 VanDerWaalsContact CZ2-O 3.29Å; W127-C152 WeakPolarHBondContact CZ2-O 3.44Å; W127-K154 HydrophobicContact CZ2-CB 4.48Å; W127-K154 HydrophobicContact CZ2-CD 4.27Å; W127-K154 HydrophobicContact CZ2-CG 4.03Å; W127-V262 HydrophobicContact CH2-CG2 3.95Å; W127-V262 HydrophobicContact CZ3-CG2 3.94Å
128	K	98.4	Very high	97.2	Very high	80 Å²	80	68.2 Å²	68.2	35%	0.348	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.7	167.8	173.8	179.7	177.8	-160.7	0	110	F145 V146 W257	K128-F145 CarbonylContact O-C 3.56Å; K128-F145 WeakPolarHBondContact O-CA 3.45Å; K128-V146 HydrophobicContact CB-CG1 3.79Å; K128-V146 HydrophobicContact CG-CG1 4.26Å; K128-V146 PolarHBondContact N-O 2.72Å; K128-V146 WeakPolarHBondContact O-CG1 3.41Å; K128-V146 PolarHBondContact O-N 2.71Å; K128-W257 VanDerWaalsContact CB-CD1 3.42Å; K128-W257 HydrophobicContact CB-CD2 3.9Å; K128-W257 VanDerWaalsContact CB-CE2 3.48Å; K128-W257 HydrophobicContact CB-CG 3.84Å; K128-W257 HydrophobicContact CB-CZ2 4.1Å; K128-W257 HydrophobicContact CD-CD2 3.44Å; K128-W257 VanDerWaalsContact CD-CD2 3.44Å; K128-W257 HydrophobicContact CD-CE3 3.63Å; K128-W257 HydrophobicContact CD-CG 3.92Å; K128-W257 HydrophobicContact CD-CH2 4.1Å; K128-W257 HydrophobicContact CD-CZ2 3.95Å; K128-W257 HydrophobicContact CD-CZ3 3.97Å; K128-W257 HydrophobicContact CG-CD2 4.32Å
129	I	98.5	Very high	97	Very high	44 Å²	44	65 Å²	65	23%	0.226	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.6	170.9	-62.5	168	0	0	0	107.7	A110 E113 F114 K143 N144 F145	A110-I129 HydrophobicContact CB-CD1 4.06Å; A110-I129 HydrophobicContact CB-CG1 4.02Å; A110-I129 HydrophobicContact CB-CG2 3.74Å; E113-I129 VanDerWaalsContact C-CD1 3.46Å; E113-I129 HydrophobicContact CB-CD1 4.27Å; E113-I129 WeakPolarHBondContact O-CD1 3.32Å; F114-I129 HydrophobicContact CD2-CD1 4.16Å; F114-I129 HydrophobicContact CE2-CD1 3.85Å; F114-I129 HydrophobicContact CE2-CG1 4.11Å; F114-I129 HydrophobicContact CZ-CD1 4.12Å; F114-I129 HydrophobicContact CZ-CG1 3.96Å; I129-K143 HydrophobicContact CG2-CB 4.03Å; I129-K143 HydrophobicContact CG2-CD 3.96Å; I129-K143 HydrophobicContact CG2-CG 4.33Å; I129-N144 WeakPolarHBondContact CA-O 3.26Å; I129-F145 HydrophobicContact CD1-CD1 4.22Å; I129-F145 HydrophobicContact CD1-CE1 3.97Å; I129-F145 HydrophobicContact CG1-CD1 3.78Å; I129-F145 HydrophobicContact CG1-CE1 4.04Å
130	E	97.2	Very high	96.9	Very high	31 Å²	31	64.3 Å²	64.3	15%	0.145	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168.2	179.9	63.5	-177.1	-167.3	0	0	111.4	M133 K143 N144 V146	E130-M133 WeakPolarHBondContact OE1-CE 3.5Å; E130-K143 CarbonylContact O-C 3.59Å; E130-K143 VanDerWaalsContact O-CA 3.29Å; E130-K143 WeakPolarHBondContact O-CA 3.25Å; E130-N144 PolarHBondContact N-O 2.74Å; E130-N144 VanDerWaalsContact N-O 3.09Å; E130-N144 PolarHBondContact O-N 3.24Å; E130-V146 HydrophobicContact CG-CB 4.39Å; E130-V146 HydrophobicContact CG-CG1 3.95Å
131	E	97.3	Very high	96.8	Very high	160 Å²	160	61.5 Å²	61.5	75%	0.748	34%	0.339	S	S	*	.			trans	-73.9	145.1	171	-65.4	-179.6	-172.5	0	0	110.3	M133	E131-M133 PolarHBondContact O-N 2.83Å
132	P	95.4	Very high	96.8	Very high	29 Å²	29	65.6 Å²	65.6	19%	0.188	36%	0.355	C	S	.	.			trans	-57.6	123.1	176.8	-25.8	34.6	0	0	0	112.4	V134 V141 K142 N144 W225	P132-V134 VanDerWaalsContact CB-O 3.27Å; P132-V134 WeakPolarHBondContact CB-O 3.48Å; P132-V134 PolarHBondContact O-N 2.85Å; P132-V141 HydrophobicContact CG-CG1 4.28Å; P132-K142 WeakPolarHBondContact CD-O 3.38Å; P132-N144 WeakPolarHBondContact CA-OD1 3.45Å; P132-W225 HydrophobicContact CB-CZ2 4.08Å
133	M	93.6	Very high	96.8	Very high	74 Å²	74	66.6 Å²	66.6	37%	0.365	36%	0.356	S	S	.	.	S	Bend	trans	-64.4	-24.4	174.2	-56.1	173.5	177	0	0	113.3	E130 E131 R186	E130-M133 WeakPolarHBondContact OE1-CE 3.5Å; E131-M133 PolarHBondContact O-N 2.83Å; M133-R186 HydrophobicContact CE-CG 4.22Å; M133-R186 VanDerWaalsContact CE-CZ 3.47Å; M133-R186 VanDerWaalsContact CE-NH1 3.3Å; M133-R186 HydrophobicContact SD-CG 3.92Å
134	V	94.5	Very high	96.8	Very high	41 Å²	41	65.7 Å²	65.7	25%	0.248	35%	0.347	C	S	.	.	S	Bend	trans	-128	137.9	175.8	180	0	0	0	0	106.8	P132 H136 Q223 W225	P132-V134 VanDerWaalsContact CB-O 3.27Å; P132-V134 WeakPolarHBondContact CB-O 3.48Å; P132-V134 PolarHBondContact O-N 2.85Å; V134-H136 PolarHBondContact O-N 2.86Å; V134-Q223 HydrophobicContact CG2-CB 4.32Å; V134-Q223 HydrophobicContact CG2-CG 3.71Å; V134-W225 PolarHBondContact O-NE1 2.72Å
135	E	94.7	Very high	96.9	Very high	181 Å²	181	64.2 Å²	64.2	85%	0.846	33%	0.332	S	S	*	.			trans	-57.2	133.4	178.5	-68	-171.8	168.2	0	0	111.1
136	H	96.8	Very high	96.9	Very high	16 Å²	16	61.1 Å²	61.1	7%	0.074	32%	0.315	C	S	.	.			trans	-83.2	145.6	174.1	-167.1	-87.4	0	0	0	109.9	V134 N138 V141 W182 W225 E264	V134-H136 PolarHBondContact O-N 2.86Å; H136-N138 WeakPolarHBondContact ND1-CB 3.45Å; H136-N138 PolarHBondContact ND1-N 2.85Å; H136-N138 PolarHBondContact O-N 3.45Å; H136-V141 HydrophobicContact CB-CB 3.83Å; H136-V141 HydrophobicContact CB-CG1 4.01Å; H136-V141 HydrophobicContact CB-CG2 4.42Å; H136-W182 AromaticContact CE1-CD2 3.76Å; H136-W182 AromaticContact CE1-CE2 3.73Å; H136-W182 AromaticContact NE2-CD2 3.17Å; H136-W182 AromaticContact NE2-CE2 3.64Å; H136-W182 AromaticContact NE2-CE3 3.39Å; H136-W182 AromaticContact NE2-CG 3.41Å; H136-W182 AromaticContact NE2-CZ3 3.99Å; H136-W225 AromaticContact CD2-CD1 3.89Å; H136-W225 AromaticContact CD2-CD2 3.68Å; H136-W225 AromaticContact CD2-CG 3.64Å; H136-E264 IonicContact CE1-OE2 2.79Å; H136-E264 PolarHBondContact CE1-OE2 2.97Å; H136-E264 IonicContact ND1-OE2 3.71Å; H136-E264 IonicContact NE2-OE2 3.64Å
137	S	95.4	Very high	96.9	Very high	93 Å²	93	55.9 Å²	55.9	65%	0.65	29%	0.291	S	S	*	.	S	Bend	trans	-57.1	-34.8	178.3	60.7	0	0	0	0	112.6	P139	S137-P139 WeakPolarHBondContact O-CD 3.44Å
138	N	96	Very high	96.9	Very high	41 Å²	41	55.2 Å²	55.2	22%	0.219	29%	0.288	C	S	.	.	S	Bend	trans	-85.2	112.3	168.3	-173.8	-8.6	0	0	0	111.6	R109 H136 A140 V141 E264	R109-N138 PolarHBondContact NH2-ND2 2.7Å; H136-N138 WeakPolarHBondContact ND1-CB 3.45Å; H136-N138 PolarHBondContact ND1-N 2.85Å; H136-N138 PolarHBondContact O-N 3.45Å; N138-A140 PolarHBondContact O-N 2.97Å; N138-A140 VanDerWaalsContact O-N 3.1Å; N138-A140 WeakPolarHBondContact OD1-CB 3.46Å; N138-A140 PolarHBondContact OD1-N 2.86Å; N138-V141 HydrophobicContact CB-CG2 4.16Å; N138-V141 PolarHBondContact O-N 2.96Å; N138-V141 VanDerWaalsContact O-N 3.08Å; N138-E264 PolarHBondContact ND2-OE1 2.72Å
139	P	94.7	Very high	96.8	Very high	97 Å²	97	54.4 Å²	54.4	63%	0.63	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.6	-177.6	28.5	-36.6	0	0	0	114.1	S137 V141 K142	S137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-V141 VanDerWaalsContact C-N 3.25Å; P139-V141 PolarHBondContact O-N 3.24Å; P139-K142 WeakPolarHBondContact O-CE 3.27Å; P139-K142 PolarHBondContact O-NZ 3.47Å
140	A	96	Very high	96.8	Very high	43 Å²	43	54.2 Å²	54.2	36%	0.355	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.5	175.3	0	0	0	0	0	113	N138 K142	N138-A140 PolarHBondContact O-N 2.97Å; N138-A140 VanDerWaalsContact O-N 3.1Å; N138-A140 WeakPolarHBondContact OD1-CB 3.46Å; N138-A140 PolarHBondContact OD1-N 2.86Å; A140-K142 PolarHBondContact O-N 3.23Å
141	V	97.3	Very high	96.9	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.048	29%	0.293	C	S	.	.			trans	-78.4	106	175.7	178	0	0	0	0	109.1	R109 P132 H136 N138 P139 T263 E264	R109-V141 HydrophobicContact CG-CG2 4.28Å; P132-V141 HydrophobicContact CG-CG1 4.28Å; H136-V141 HydrophobicContact CB-CB 3.83Å; H136-V141 HydrophobicContact CB-CG1 4.01Å; H136-V141 HydrophobicContact CB-CG2 4.42Å; N138-V141 HydrophobicContact CB-CG2 4.16Å; N138-V141 PolarHBondContact O-N 2.96Å; N138-V141 VanDerWaalsContact O-N 3.08Å; P139-V141 VanDerWaalsContact C-N 3.25Å; P139-V141 PolarHBondContact O-N 3.24Å; V141-T263 HydrophobicContact CG1-CG2 3.67Å; V141-E264 HydrophobicContact CG2-CB 4.17Å; V141-E264 HydrophobicContact CG2-CG 4.41Å
142	K	97.5	Very high	97	Very high	137 Å²	137	48.9 Å²	48.9	60%	0.596	26%	0.258	S	S	*	.			trans	-109.6	-14.2	179.2	-60.1	-51.9	-171.8	-162.3	0	114.3	P132 P139 A140	P132-K142 WeakPolarHBondContact CD-O 3.38Å; P139-K142 WeakPolarHBondContact O-CE 3.27Å; P139-K142 PolarHBondContact O-NZ 3.47Å; A140-K142 PolarHBondContact O-N 3.23Å
143	K	98.3	Very high	97.1	Very high	84 Å²	84	51.4 Å²	51.4	37%	0.365	26%	0.264	S	S	.	.			trans	-140.1	157.6	179.6	-63.3	175.1	-177.5	177.2	0	110	R109 A110 E111 I129 E130 T263	R109-K143 WeakPolarHBondContact O-CB 3.49Å; A110-K143 HydrophobicContact CB-CB 4.15Å; A110-K143 WeakPolarHBondContact O-CD 3.21Å; E111-K143 PolarHBondContact O-NZ 3.49Å; I129-K143 HydrophobicContact CG2-CB 4.03Å; I129-K143 HydrophobicContact CG2-CD 3.96Å; I129-K143 HydrophobicContact CG2-CG 4.33Å; E130-K143 CarbonylContact O-C 3.59Å; E130-K143 VanDerWaalsContact O-CA 3.29Å; E130-K143 WeakPolarHBondContact O-CA 3.25Å; K143-T263 PolarHBondContact O-OG1 3.47Å
144	N	98.4	Very high	97.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.2	168.7	62.3	-102.1	0	0	0	110.5	I129 E130 P132 W225 T263	I129-N144 WeakPolarHBondContact CA-O 3.26Å; E130-N144 PolarHBondContact N-O 2.74Å; E130-N144 VanDerWaalsContact N-O 3.09Å; E130-N144 PolarHBondContact O-N 3.24Å; P132-N144 WeakPolarHBondContact CA-OD1 3.45Å; N144-W225 HydrophobicContact CB-CH2 3.77Å; N144-W225 HydrophobicContact CB-CZ2 4.33Å; N144-T263 HydrophobicContact CB-CG2 4.37Å
145	F	98.8	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	145.4	164.6	-55	-81.4	0	0	0	108.8	A110 E113 F114 W117 W127 K128 I129 K154 R261 V262	A110-F145 VanDerWaalsContact CA-CZ 3.49Å; A110-F145 HydrophobicContact CB-CD1 3.88Å; A110-F145 HydrophobicContact CB-CD2 3.98Å; A110-F145 HydrophobicContact CB-CE1 3.52Å; A110-F145 HydrophobicContact CB-CE2 3.63Å; A110-F145 HydrophobicContact CB-CG 4.11Å; A110-F145 HydrophobicContact CB-CZ 3.4Å; E113-F145 WeakPolarHBondContact O-CE1 3.5Å; F114-F145 AromaticContact CD1-CD1 3.89Å; F114-F145 HydrophobicContact CD1-CD1 3.89Å; F114-F145 AromaticContact CD1-CE1 3.65Å; F114-F145 HydrophobicContact CD1-CE1 3.65Å; F114-F145 AromaticContact CE1-CD1 3.45Å; F114-F145 HydrophobicContact CE1-CD1 3.45Å; F114-F145 VanDerWaalsContact CE1-CD1 3.45Å; F114-F145 AromaticContact CE1-CE1 3.71Å; F114-F145 HydrophobicContact CE1-CE1 3.71Å; F114-F145 HydrophobicContact CG-CE1 4.36Å; F114-F145 HydrophobicContact CZ-CD1 4.08Å; F114-F145 HydrophobicContact CZ-CE1 4.43Å; W117-F145 AromaticContact CD1-CZ 3.93Å; W117-F145 AromaticContact NE1-CZ 3.84Å; W127-F145 HydrophobicContact CE3-CB 3.78Å; W127-F145 HydrophobicContact CZ3-CB 3.64Å; K128-F145 CarbonylContact O-C 3.56Å; K128-F145 WeakPolarHBondContact O-CA 3.45Å; I129-F145 HydrophobicContact CD1-CD1 4.22Å; I129-F145 HydrophobicContact CD1-CE1 3.97Å; I129-F145 HydrophobicContact CG1-CD1 3.78Å; I129-F145 HydrophobicContact CG1-CE1 4.04Å; F145-K154 VanDerWaalsContact CD2-CE 3.45Å; F145-R261 CarbonylContact O-C 3.56Å; F145-R261 VanDerWaalsContact O-CA 3.27Å; F145-R261 WeakPolarHBondContact O-CA 3.33Å; F145-V262 HydrophobicContact CB-CG2 3.92Å; F145-V262 HydrophobicContact CD2-CG2 4.48Å; F145-V262 PolarHBondContact N-O 3.21Å; F145-V262 PolarHBondContact O-N 2.95Å
146	V	98.5	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.5	175.7	62.5	0	0	0	0	110.6	K128 E130 W257 R261	K128-V146 HydrophobicContact CB-CG1 3.79Å; K128-V146 HydrophobicContact CG-CG1 4.26Å; K128-V146 PolarHBondContact N-O 2.72Å; K128-V146 WeakPolarHBondContact O-CG1 3.41Å; K128-V146 PolarHBondContact O-N 2.71Å; E130-V146 HydrophobicContact CG-CB 4.39Å; E130-V146 HydrophobicContact CG-CG1 3.95Å; V146-W257 HydrophobicContact CG1-CB 3.78Å; V146-W257 HydrophobicContact CG1-CG 4.01Å; V146-W257 HydrophobicContact CG2-CB 3.95Å; V146-R261 HydrophobicContact CB-CG 4.14Å; V146-R261 HydrophobicContact CG2-CG 3.82Å
147	T	98.7	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.			trans	-84.5	160.1	178.6	68.6	0	0	0	0	111.7	W127 C152 G259 I260	W127-T147 HydrophobicContact CD2-CG2 4.42Å; W127-T147 HydrophobicContact CE3-CG2 3.89Å; W127-T147 HydrophobicContact CH2-CG2 3.3Å; W127-T147 HydrophobicContact CZ2-CG2 3.86Å; W127-T147 HydrophobicContact CZ3-CG2 3.31Å; T147-C152 HydrophobicContact CG2-CB 3.71Å; T147-G259 PolarHBondContact O-N 2.64Å; T147-G259 VanDerWaalsContact OG1-CA 3.3Å; T147-G259 WeakPolarHBondContact OG1-CA 3.21Å; T147-I260 HydrophobicContact CG2-CG2 3.81Å; T147-I260 PolarHBondContact N-O 3.27Å; T147-I260 PolarHBondContact OG1-N 2.85Å; T147-I260 PolarHBondContact OG1-O 2.83Å
148	S	98.4	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.			trans	-92.8	-157	174.5	-167	0	0	0	0	111.3	G123 N125 K249 D250 G256	G123-S148 WeakPolarHBondContact O-CB 3.44Å; N125-S148 PolarHBondContact N-OG 3.27Å; S148-K249 CarbonylContact O-C 3.47Å; S148-K249 WeakPolarHBondContact O-CA 3.39Å; S148-D250 PolarHBondContact O-N 2.68Å; S148-G256 WeakPolarHBondContact CA-O 3.13Å; S148-G256 WeakPolarHBondContact CB-O 3.34Å; S148-G256 PolarHBondContact OG-O 2.85Å
149	Y	97.8	Very high	98.2	Very high	63 Å²	63	36.4 Å²	36.4	25%	0.247	18%	0.183	C	C	.	.	S	Bend	trans	-87.8	-8.1	-176.1	59.1	-96.3	0	0	0	114.9	G124 N125 D250 W254 A255	G124-Y149 WeakPolarHBondContact CA-OH 3.24Å; N125-Y149 WeakPolarHBondContact OD1-CE1 3.29Å; Y149-D250 WeakPolarHBondContact CA-OD1 3.37Å; Y149-D250 WeakPolarHBondContact CB-OD1 3.3Å; Y149-D250 WeakPolarHBondContact CB-OD2 3.43Å; Y149-W254 WeakPolarHBondContact CB-O 3.35Å; Y149-W254 WeakPolarHBondContact CD1-O 3.31Å; Y149-A255 HydrophobicContact CE1-CB 4.43Å
150	S	98.3	Very high	98.3	Very high	40 Å²	40	31.8 Å²	31.8	28%	0.28	15%	0.154	S	C	.	.	S	Bend	trans	-116.5	166.5	166.9	-64.6	0	0	0	0	109.2	C152 K249	S150-C152 PolarHBondContact O-N 2.79Å; S150-C152 VanDerWaalsContact O-N 3.17Å; S150-K249 WeakPolarHBondContact O-CB 3.08Å
151	W	98.4	Very high	98.4	Very high	80 Å²	80	35.8 Å²	35.8	30%	0.303	17%	0.166	S	C	.	.			trans	-53.4	123.3	-177.7	-76.4	110.1	0	0	0	111.8	D121 G123 R153 I192 Q194 L214 K249	D121-W151 WeakPolarHBondContact CB-O 3.28Å; G123-W151 WeakPolarHBondContact CA-O 3.25Å; G123-W151 PolarHBondContact N-O 3.11Å; W151-R153 HydrophobicContact CE3-CG 4.49Å; W151-I192 HydrophobicContact CH2-CG2 3.84Å; W151-Q194 HydrophobicContact CH2-CB 4.33Å; W151-Q194 HydrophobicContact CZ3-CB 3.96Å; W151-L214 HydrophobicContact CH2-CD1 4.17Å; W151-L214 HydrophobicContact CH2-CD2 4.01Å; W151-L214 HydrophobicContact CZ2-CD1 4.3Å; W151-K249 HydrophobicContact CD2-CD 3.87Å; W151-K249 HydrophobicContact CD2-CG 4.15Å; W151-K249 HydrophobicContact CE3-CG 4.38Å; W151-K249 HydrophobicContact CG-CD 3.95Å; W151-K249 HydrophobicContact CZ2-CD 4.27Å; W151-K249 HydrophobicContact CZ2-CG 4.49Å
152	C	98.8	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.8	168.3	-66.3	0	0	0	0	107	D121 G123 W127 T147 S150 G247 G248	D121-C152 CarbonylContact O-C 3.53Å; D121-C152 VanDerWaalsContact O-CA 3.3Å; D121-C152 WeakPolarHBondContact O-CA 3.44Å; G123-C152 PolarHBondContact O-SG 2.87Å; G123-C152 VanDerWaalsContact O-SG 3.36Å; W127-C152 HydrophobicContact CD2-CB 3.85Å; W127-C152 VanDerWaalsContact CE2-CB 3.47Å; W127-C152 HydrophobicContact CG-CB 4.11Å; W127-C152 HydrophobicContact CZ2-CB 3.9Å; W127-C152 VanDerWaalsContact CZ2-O 3.29Å; W127-C152 WeakPolarHBondContact CZ2-O 3.44Å; T147-C152 HydrophobicContact CG2-CB 3.71Å; S150-C152 PolarHBondContact O-N 2.79Å; S150-C152 VanDerWaalsContact O-N 3.17Å; C152-G247 CarbonylContact O-C 3.57Å; C152-G247 WeakPolarHBondContact O-CA 3.4Å; C152-G248 PolarHBondContact N-O 3.13Å; C152-G248 PolarHBondContact O-N 2.93Å
153	R	98.8	Very high	98.4	Very high	82 Å²	82	38.9 Å²	38.9	31%	0.309	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.6	179.6	-65.4	-176.4	-63.5	-176.3	0.9	110	L120 D121 W151 H246	L120-R153 HydrophobicContact CB-CB 4.22Å; L120-R153 PolarHBondContact N-O 2.9Å; D121-R153 HydrophobicContact CB-CB 4.29Å; D121-R153 VanDerWaalsContact CG-NH2 3.3Å; D121-R153 PolarHBondContact N-O 2.93Å; D121-R153 VanDerWaalsContact N-O 3.1Å; D121-R153 PolarHBondContact O-N 2.82Å; D121-R153 IonicContact OD1-NH2 3.64Å; D121-R153 PolarHBondContact OD1-NH2 2.85Å; D121-R153 IonicContact OD2-CZ 3.66Å; D121-R153 IonicContact OD2-NE 3.79Å; D121-R153 PolarHBondContact OD2-NE 2.82Å; D121-R153 IonicContact OD2-NH2 3.54Å; D121-R153 PolarHBondContact OD2-NH2 2.92Å; W151-R153 HydrophobicContact CE3-CG 4.49Å; R153-H246 WeakPolarHBondContact CA-O 3.27Å
154	K	98.8	Very high	98.2	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	-138.5	150.4	175.5	64.2	-176.3	178.4	73	0	110.8	W117 R118 I119 W127 F145 T245 H246	W117-K154 HydrophobicContact CB-CB 4.48Å; W117-K154 HydrophobicContact CB-CD 4.17Å; W117-K154 HydrophobicContact CD2-CD 3.88Å; W117-K154 HydrophobicContact CD2-CG 4.17Å; W117-K154 HydrophobicContact CE3-CB 4.18Å; W117-K154 HydrophobicContact CE3-CD 3.96Å; W117-K154 HydrophobicContact CE3-CG 3.7Å; W117-K154 HydrophobicContact CG-CD 3.98Å; W117-K154 HydrophobicContact CZ3-CG 4.19Å; R118-K154 CarbonylContact O-C 3.56Å; R118-K154 VanDerWaalsContact O-CA 3.29Å; R118-K154 WeakPolarHBondContact O-CA 3.49Å; I119-K154 HydrophobicContact CD1-CB 3.73Å; I119-K154 HydrophobicContact CD1-CD 4.38Å; W127-K154 HydrophobicContact CZ2-CB 4.48Å; W127-K154 HydrophobicContact CZ2-CD 4.27Å; W127-K154 HydrophobicContact CZ2-CG 4.03Å; F145-K154 VanDerWaalsContact CD2-CE 3.45Å; K154-T245 WeakPolarHBondContact O-CA 3.45Å; K154-H246 WeakPolarHBondContact CE-NE2 3.44Å; K154-H246 PolarHBondContact N-O 3.04Å; K154-H246 PolarHBondContact NZ-NE2 2.97Å; K154-H246 PolarHBondContact O-N 2.84Å; K154-H246 VanDerWaalsContact O-N 3.14Å
155	E	98.7	Very high	98.1	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.4	-178	72.5	173.5	-173.5	0	0	113.3	R118 L120 F244	R118-E155 HydrophobicContact CB-CG 3.84Å; R118-E155 VanDerWaalsContact CD-OE1 3.32Å; R118-E155 WeakPolarHBondContact CD-OE1 3.47Å; R118-E155 HydrophobicContact CG-CG 4.27Å; R118-E155 IonicContact CZ-OE1 3.7Å; R118-E155 PolarHBondContact N-O 3.41Å; R118-E155 IonicContact NE-OE1 3.57Å; R118-E155 IonicContact NH1-OE1 2.68Å; R118-E155 PolarHBondContact NH1-OE1 2.84Å; R118-E155 PolarHBondContact O-N 2.88Å; L120-E155 HydrophobicContact CD1-CB 3.96Å; L120-E155 HydrophobicContact CD1-CG 4.12Å; L120-E155 HydrophobicContact CD2-CG 3.91Å; L120-E155 HydrophobicContact CG-CB 4.19Å; L120-E155 HydrophobicContact CG-CG 3.93Å; E155-F244 CarbonylContact C-O 3.57Å; E155-F244 WeakPolarHBondContact CA-O 3.48Å
156	Q	98.8	Very high	97.9	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.4	161.5	-101.2	-176.6	86.8	0	0	109.8	I105 K106 G116 W117 F244	I105-Q156 HydrophobicContact CD1-CB 4.11Å; K106-Q156 PolarHBondContact O-NE2 3.43Å; G116-Q156 WeakPolarHBondContact O-CG 3.37Å; W117-Q156 HydrophobicContact CD2-CG 4.14Å; W117-Q156 HydrophobicContact CE3-CB 4.19Å; W117-Q156 HydrophobicContact CE3-CG 3.95Å; W117-Q156 VanDerWaalsContact CZ2-NE2 3.27Å; W117-Q156 HydrophobicContact CZ3-CB 4.09Å; W117-Q156 HydrophobicContact CZ3-CG 4.28Å; Q156-F244 PolarHBondContact N-O 3.4Å; Q156-F244 PolarHBondContact O-N 3.48Å
157	V	98.8	Very high	97.8	Very high	61 Å²	61	41.1 Å²	41.1	37%	0.37	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.9	172.6	-177.2	0	0	0	0	108.4	Y241 V242 R243	V157-Y241 HydrophobicContact CG1-CD1 4.12Å; V157-Y241 HydrophobicContact CG1-CG 4.32Å; V157-V242 WeakPolarHBondContact CA-O 3.41Å; V157-R243 HydrophobicContact CG2-CB 4.24Å; V157-R243 HydrophobicContact CG2-CG 4.05Å
158	I	98.8	Very high	97.6	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.3	-179.4	-60.7	160.5	0	0	0	108.5	L104 I105 L160 E163 Y241 V242 V267	L104-I158 HydrophobicContact CB-CD1 3.93Å; L104-I158 HydrophobicContact CB-CG1 4.46Å; L104-I158 HydrophobicContact CB-CG2 4.02Å; L104-I158 HydrophobicContact CD1-CG2 4.02Å; I105-I158 HydrophobicContact CD1-CD1 3.85Å; I105-I158 HydrophobicContact CG1-CD1 4.37Å; I158-L160 HydrophobicContact CG2-CD2 4.23Å; I158-E163 HydrophobicContact CG2-CG 3.95Å; I158-Y241 WeakPolarHBondContact O-CA 3.46Å; I158-Y241 WeakPolarHBondContact O-CB 3.43Å; I158-V242 HydrophobicContact CB-CB 4.29Å; I158-V242 HydrophobicContact CD1-CB 4.35Å; I158-V242 PolarHBondContact N-O 3.42Å; I158-V242 PolarHBondContact O-N 2.96Å; I158-V267 HydrophobicContact CD1-CB 3.61Å; I158-V267 HydrophobicContact CD1-CG1 3.77Å; I158-V267 HydrophobicContact CD1-CG2 3.76Å
159	D	98.6	Very high	97.3	Very high	31 Å²	31	46.2 Å²	46.2	17%	0.166	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.3	171.5	-178.8	-32.4	0	0	0	109.4	M161 K162 E163 Y241	D159-M161 VanDerWaalsContact C-N 3.27Å; D159-M161 PolarHBondContact O-N 2.68Å; D159-M161 WeakPolarHBondContact OD1-CB 3.21Å; D159-M161 PolarHBondContact OD1-N 3.26Å; D159-M161 VanDerWaalsContact OD1-N 3.08Å; D159-K162 HydrophobicContact CB-CB 4.05Å; D159-K162 HydrophobicContact CB-CD 3.96Å; D159-K162 HydrophobicContact CB-CG 4.16Å; D159-K162 PolarHBondContact O-N 3.23Å; D159-K162 PolarHBondContact OD1-N 2.78Å; D159-K162 VanDerWaalsContact OD2-CD 3.23Å; D159-K162 WeakPolarHBondContact OD2-CD 3.43Å; D159-K162 WeakPolarHBondContact OD2-CE 3.34Å; D159-K162 WeakPolarHBondContact OD2-CG 3.26Å; D159-K162 IonicContact OD2-NZ 3.37Å; D159-K162 PolarHBondContact OD2-NZ 2.97Å; D159-E163 WeakPolarHBondContact O-CG 3.39Å; D159-E163 PolarHBondContact O-N 2.96Å; D159-Y241 HydrophobicContact CB-CD1 3.97Å; D159-Y241 HydrophobicContact CB-CE1 3.84Å
160	L	98.4	Very high	97.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.7	-173.9	-65.6	177.2	0	0	0	112.1	L104 I158 E163 G164 Y165 M170 V239 R240 V242 I269	L104-L160 HydrophobicContact CD1-CD2 4.16Å; I158-L160 HydrophobicContact CG2-CD2 4.23Å; L160-E163 CarbonylContact O-C 3.53Å; L160-E163 PolarHBondContact O-N 3.44Å; L160-G164 PolarHBondContact O-N 2.94Å; L160-G164 VanDerWaalsContact O-N 3.15Å; L160-Y165 CarbonylContact C-O 3.52Å; L160-Y165 HydrophobicContact CD2-CD2 4.45Å; L160-Y165 WeakPolarHBondContact O-CA 3.3Å; L160-Y165 WeakPolarHBondContact O-CB 3.41Å; L160-Y165 PolarHBondContact O-N 3.03Å; L160-M170 HydrophobicContact CD1-CE 3.75Å; L160-M170 HydrophobicContact CD1-CG 4.37Å; L160-M170 HydrophobicContact CD1-SD 4.27Å; L160-V239 HydrophobicContact CD1-CG1 3.8Å; L160-R240 WeakPolarHBondContact CB-O 3.32Å; L160-R240 WeakPolarHBondContact CG-O 3.1Å; L160-R240 PolarHBondContact N-O 3.32Å; L160-V242 HydrophobicContact CD1-CG2 4.3Å; L160-V242 HydrophobicContact CD2-CG2 4.12Å; L160-V242 HydrophobicContact CG-CG2 4.4Å; L160-I269 HydrophobicContact CD2-CD1 3.96Å; L160-I269 HydrophobicContact CD2-CG1 4.44Å
161	M	97.6	Very high	97.1	Very high	127 Å²	127	43.4 Å²	43.4	63%	0.626	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-45	177.2	-173.9	177.5	-176.3	0	0	110.8	D159 E163 G164 Y165 P167	D159-M161 VanDerWaalsContact C-N 3.27Å; D159-M161 PolarHBondContact O-N 2.68Å; D159-M161 WeakPolarHBondContact OD1-CB 3.21Å; D159-M161 PolarHBondContact OD1-N 3.26Å; D159-M161 VanDerWaalsContact OD1-N 3.08Å; M161-E163 VanDerWaalsContact C-N 3.27Å; M161-E163 PolarHBondContact O-N 3.16Å; M161-G164 WeakPolarHBondContact O-CA 3.16Å; M161-G164 PolarHBondContact O-N 3.42Å; M161-Y165 WeakPolarHBondContact CA-O 3.03Å; M161-Y165 PolarHBondContact N-O 2.8Å; M161-P167 HydrophobicContact SD-CG 4.46Å
162	K	97.5	Very high	96.7	Very high	174 Å²	174	46.5 Å²	46.5	76%	0.757	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-32	175	-71.3	178.8	-171.7	159.7	0	112.7	D159 G164	D159-K162 HydrophobicContact CB-CB 4.05Å; D159-K162 HydrophobicContact CB-CD 3.96Å; D159-K162 HydrophobicContact CB-CG 4.16Å; D159-K162 PolarHBondContact O-N 3.23Å; D159-K162 PolarHBondContact OD1-N 2.78Å; D159-K162 VanDerWaalsContact OD2-CD 3.23Å; D159-K162 WeakPolarHBondContact OD2-CD 3.43Å; D159-K162 WeakPolarHBondContact OD2-CE 3.34Å; D159-K162 WeakPolarHBondContact OD2-CG 3.26Å; D159-K162 IonicContact OD2-NZ 3.37Å; D159-K162 PolarHBondContact OD2-NZ 2.97Å; K162-G164 PolarHBondContact O-N 3.23Å
163	E	97.2	Very high	96.2	Very high	36 Å²	36	50 Å²	50	17%	0.168	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.1	173.5	-66.4	-63.5	159.1	0	0	113.4	R102 L104 K106 I158 D159 L160 M161 Y165	R102-E163 IonicContact CZ-OE2 3.31Å; R102-E163 IonicContact NE-OE2 3.62Å; R102-E163 PolarHBondContact NH2-O 3.26Å; R102-E163 IonicContact NH2-OE2 2.97Å; R102-E163 PolarHBondContact NH2-OE2 2.81Å; L104-E163 HydrophobicContact CD1-CB 4.49Å; L104-E163 HydrophobicContact CD2-CB 4.19Å; L104-E163 HydrophobicContact CD2-CG 4.2Å; K106-E163 WeakPolarHBondContact CE-OE1 3.24Å; K106-E163 IonicContact NZ-OE1 3.68Å; K106-E163 PolarHBondContact NZ-OE1 3.33Å; K106-E163 IonicContact NZ-OE2 2.81Å; I158-E163 HydrophobicContact CG2-CG 3.95Å; D159-E163 WeakPolarHBondContact O-CG 3.39Å; D159-E163 PolarHBondContact O-N 2.96Å; L160-E163 CarbonylContact O-C 3.53Å; L160-E163 PolarHBondContact O-N 3.44Å; M161-E163 VanDerWaalsContact C-N 3.27Å; M161-E163 PolarHBondContact O-N 3.16Å; E163-Y165 HydrophobicContact CB-CD2 4Å; E163-Y165 HydrophobicContact CB-CE2 4.03Å
164	G	94.4	Very high	95.9	Very high	35 Å²	35	48.3 Å²	48.3	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	21.7	170.2	0	0	0	0	0	115	K100 L160 M161 K162	K100-G164 PolarHBondContact NZ-O 3.1Å; L160-G164 PolarHBondContact O-N 2.94Å; L160-G164 VanDerWaalsContact O-N 3.15Å; M161-G164 WeakPolarHBondContact O-CA 3.16Å; M161-G164 PolarHBondContact O-N 3.42Å; K162-G164 PolarHBondContact O-N 3.23Å
165	Y	95.2	Very high	95.5	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.02	26%	0.257	C	S	.	.			trans	-110.2	105.1	175	-54.2	-81.8	0	0	0	109.2	L97 L104 L160 M161 E163 F169 M170 I269	L97-Y165 HydrophobicContact CD2-CE1 4.12Å; L104-Y165 HydrophobicContact CD1-CE2 4.03Å; L104-Y165 HydrophobicContact CD2-CE2 4.25Å; L160-Y165 CarbonylContact C-O 3.52Å; L160-Y165 HydrophobicContact CD2-CD2 4.45Å; L160-Y165 WeakPolarHBondContact O-CA 3.3Å; L160-Y165 WeakPolarHBondContact O-CB 3.41Å; L160-Y165 PolarHBondContact O-N 3.03Å; M161-Y165 WeakPolarHBondContact CA-O 3.03Å; M161-Y165 PolarHBondContact N-O 2.8Å; E163-Y165 HydrophobicContact CB-CD2 4Å; E163-Y165 HydrophobicContact CB-CE2 4.03Å; Y165-F169 HydrophobicContact CD1-CD1 4.21Å; Y165-F169 AromaticContact CD1-CE1 3.84Å; Y165-F169 HydrophobicContact CD1-CE1 3.84Å; Y165-M170 HydrophobicContact CG-SD 4.48Å; Y165-I269 HydrophobicContact CD1-CB 4.3Å; Y165-I269 HydrophobicContact CD1-CG1 4.16Å; Y165-I269 HydrophobicContact CD1-CG2 4.08Å; Y165-I269 HydrophobicContact CD2-CG1 4.05Å; Y165-I269 HydrophobicContact CE1-CB 3.61Å; Y165-I269 HydrophobicContact CE1-CG1 3.77Å; Y165-I269 HydrophobicContact CE1-CG2 3.71Å; Y165-I269 HydrophobicContact CE2-CB 4.32Å; Y165-I269 HydrophobicContact CE2-CG1 3.67Å; Y165-I269 HydrophobicContact CG-CG1 4.28Å
166	S	94.9	Very high	95.3	Very high	50 Å²	50	48.2 Å²	48.2	35%	0.35	26%	0.258	S	S	.	.			trans	-70.4	154.2	-173.7	65.2	0	0	0	0	112.5	S168 F169 M170	S166-S168 PolarHBondContact O-N 2.72Å; S166-S168 PolarHBondContact OG-OG 3.26Å; S166-F169 WeakPolarHBondContact O-CA 3.17Å; S166-F169 WeakPolarHBondContact O-CB 3.39Å; S166-F169 PolarHBondContact O-N 2.83Å; S166-F169 WeakPolarHBondContact OG-CB 3.44Å; S166-F169 PolarHBondContact OG-N 3.5Å; S166-M170 PolarHBondContact O-N 3.13Å
167	P	97.4	Very high	95.2	Very high	41 Å²	41	47.6 Å²	47.6	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-47.8	-53	173.2	-34.8	40	0	0	0	113.9	M161 F169 M170 D171	M161-P167 HydrophobicContact SD-CG 4.46Å; P167-F169 PolarHBondContact O-N 3.42Å; P167-M170 PolarHBondContact O-N 3.25Å; P167-M170 VanDerWaalsContact O-N 3.16Å; P167-D171 WeakPolarHBondContact O-CB 3.18Å; P167-D171 PolarHBondContact O-N 3.46Å
168	S	94.9	Very high	95.1	Very high	78 Å²	78	47.9 Å²	47.9	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-59	-35.9	178.7	60.6	0	0	0	0	112.9	S166 E172	S166-S168 PolarHBondContact O-N 2.72Å; S166-S168 PolarHBondContact OG-OG 3.26Å; S168-E172 VanDerWaalsContact O-CB 3.29Å; S168-E172 WeakPolarHBondContact O-CB 3.45Å; S168-E172 PolarHBondContact O-N 3.11Å
169	F	91.8	Very high	95.1	Very high	28 Å²	28	47.6 Å²	47.6	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-45.5	178.9	170.2	-104.3	0	0	0	111	L93 L97 Y165 S166 P167 D171 F173 P175	L93-F169 HydrophobicContact CD1-CD2 4.11Å; L93-F169 HydrophobicContact CD1-CE2 3.19Å; L93-F169 HydrophobicContact CD1-CZ 3.76Å; L93-F169 HydrophobicContact CD2-CE2 4.04Å; L93-F169 HydrophobicContact CG-CE2 4.21Å; L97-F169 HydrophobicContact CD1-CZ 4.14Å; L97-F169 HydrophobicContact CD2-CE1 4.01Å; L97-F169 HydrophobicContact CD2-CZ 3.65Å; L97-F169 HydrophobicContact CG-CZ 4.16Å; Y165-F169 HydrophobicContact CD1-CD1 4.21Å; Y165-F169 AromaticContact CD1-CE1 3.84Å; Y165-F169 HydrophobicContact CD1-CE1 3.84Å; S166-F169 WeakPolarHBondContact O-CA 3.17Å; S166-F169 WeakPolarHBondContact O-CB 3.39Å; S166-F169 PolarHBondContact O-N 2.83Å; S166-F169 WeakPolarHBondContact OG-CB 3.44Å; S166-F169 PolarHBondContact OG-N 3.5Å; P167-F169 PolarHBondContact O-N 3.42Å; F169-D171 VanDerWaalsContact C-N 3.33Å; F169-F173 HydrophobicContact CD2-CB 4.16Å; F169-F173 AromaticContact CD2-CD2 3.34Å; F169-F173 HydrophobicContact CD2-CD2 3.34Å; F169-F173 AromaticContact CD2-CE2 3.99Å; F169-F173 HydrophobicContact CD2-CE2 3.99Å; F169-F173 AromaticContact CD2-CG 3.99Å; F169-F173 HydrophobicContact CD2-CG 3.99Å; F169-F173 HydrophobicContact CE2-CB 3.7Å; F169-F173 AromaticContact CE2-CD2 3.63Å; F169-F173 HydrophobicContact CE2-CD2 3.63Å; F169-F173 HydrophobicContact CE2-CE2 4.46Å; F169-F173 AromaticContact CE2-CG 3.78Å; F169-F173 HydrophobicContact CE2-CG 3.78Å; F169-F173 HydrophobicContact CG-CD2 4.34Å; F169-F173 HydrophobicContact CZ-CB 4.36Å; F169-F173 WeakPolarHBondContact O-CB 3.23Å; F169-F173 WeakPolarHBondContact O-CD2 3.23Å; F169-F173 PolarHBondContact O-N 3.15Å; F169-F173 VanDerWaalsContact O-N 3.08Å; F169-P175 HydrophobicContact CE1-CG 3.65Å; F169-P175 HydrophobicContact CZ-CB 4.21Å; F169-P175 HydrophobicContact CZ-CG 3.68Å
170	M	95.4	Very high	95.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-36.2	177.2	-65.3	-55.4	-56.3	0	0	112.1	L160 Y165 S166 P167 Q174 P175 I177 Y235	L160-M170 HydrophobicContact CD1-CE 3.75Å; L160-M170 HydrophobicContact CD1-CG 4.37Å; L160-M170 HydrophobicContact CD1-SD 4.27Å; Y165-M170 HydrophobicContact CG-SD 4.48Å; S166-M170 PolarHBondContact O-N 3.13Å; P167-M170 PolarHBondContact O-N 3.25Å; P167-M170 VanDerWaalsContact O-N 3.16Å; M170-Q174 WeakPolarHBondContact O-CA 3.28Å; M170-Q174 WeakPolarHBondContact O-CG 3.3Å; M170-Q174 PolarHBondContact O-N 2.95Å; M170-P175 HydrophobicContact CE-CG 4.29Å; M170-P175 HydrophobicContact SD-CG 4.12Å; M170-I177 HydrophobicContact CE-CD1 4.08Å; M170-Y235 HydrophobicContact CE-CE2 4.15Å; M170-Y235 WeakPolarHBondContact CE-OH 3.4Å
171	D	95.4	Very high	95.1	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-74.4	-43.4	-177.6	-63.3	-17.6	0	0	0	112.9	P167 F169 Q174 P237 G238 R240	P167-D171 WeakPolarHBondContact O-CB 3.18Å; P167-D171 PolarHBondContact O-N 3.46Å; F169-D171 VanDerWaalsContact C-N 3.33Å; D171-Q174 PolarHBondContact O-NE2 2.64Å; D171-P237 HydrophobicContact CB-CB 3.85Å; D171-G238 PolarHBondContact OD1-N 3.14Å; D171-R240 IonicContact OD1-CZ 3.46Å; D171-R240 IonicContact OD1-NH1 2.75Å; D171-R240 PolarHBondContact OD1-NH1 2.79Å; D171-R240 IonicContact OD1-NH2 3.24Å; D171-R240 PolarHBondContact OD1-NH2 2.82Å; D171-R240 IonicContact OD2-CZ 3.66Å; D171-R240 IonicContact OD2-NH1 3.64Å; D171-R240 IonicContact OD2-NH2 2.77Å; D171-R240 PolarHBondContact OD2-NH2 3.09Å
172	E	90.4	Very high	95.2	Very high	145 Å²	145	42.1 Å²	42.1	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-81.9	-44.9	-175.4	-174.7	-179.8	174.4	0	0	112.4	S168	S168-E172 VanDerWaalsContact O-CB 3.29Å; S168-E172 WeakPolarHBondContact O-CB 3.45Å; S168-E172 PolarHBondContact O-N 3.11Å
173	F	88	Confident	95.2	Very high	73 Å²	73	34.9 Å²	34.9	32%	0.32	19%	0.187	S	C	.	.	H	α-helix	trans	-97.2	-24.3	-171.2	-63.1	-81	0	0	0	113.8	L93 F169 P175	L93-F173 HydrophobicContact CD2-CB 3.98Å; L93-F173 HydrophobicContact CD2-CD1 3.32Å; L93-F173 HydrophobicContact CD2-CE1 3.87Å; L93-F173 HydrophobicContact CD2-CG 3.7Å; F169-F173 HydrophobicContact CD2-CB 4.16Å; F169-F173 AromaticContact CD2-CD2 3.34Å; F169-F173 HydrophobicContact CD2-CD2 3.34Å; F169-F173 AromaticContact CD2-CE2 3.99Å; F169-F173 HydrophobicContact CD2-CE2 3.99Å; F169-F173 AromaticContact CD2-CG 3.99Å; F169-F173 HydrophobicContact CD2-CG 3.99Å; F169-F173 HydrophobicContact CE2-CB 3.7Å; F169-F173 AromaticContact CE2-CD2 3.63Å; F169-F173 HydrophobicContact CE2-CD2 3.63Å; F169-F173 HydrophobicContact CE2-CE2 4.46Å; F169-F173 AromaticContact CE2-CG 3.78Å; F169-F173 HydrophobicContact CE2-CG 3.78Å; F169-F173 HydrophobicContact CG-CD2 4.34Å; F169-F173 HydrophobicContact CZ-CB 4.36Å; F169-F173 WeakPolarHBondContact O-CB 3.23Å; F169-F173 WeakPolarHBondContact O-CD2 3.23Å; F169-F173 PolarHBondContact O-N 3.15Å; F169-F173 VanDerWaalsContact O-N 3.08Å; F173-P175 VanDerWaalsContact C-N 3.32Å
174	Q	92.4	Very high	95.3	Very high	47 Å²	47	33.1 Å²	33.1	22%	0.22	18%	0.179	C	C	.	.			trans	41.1	54.6	178.9	-63.4	170.3	41.2	0	0	112.8	M170 D171 Y235	M170-Q174 WeakPolarHBondContact O-CA 3.28Å; M170-Q174 WeakPolarHBondContact O-CG 3.3Å; M170-Q174 PolarHBondContact O-N 2.95Å; D171-Q174 PolarHBondContact O-NE2 2.64Å; Q174-Y235 VanDerWaalsContact CA-OH 3.25Å; Q174-Y235 WeakPolarHBondContact CA-OH 3.11Å; Q174-Y235 HydrophobicContact CB-CD2 4.4Å; Q174-Y235 HydrophobicContact CB-CE1 4.36Å; Q174-Y235 HydrophobicContact CB-CE2 3.85Å; Q174-Y235 HydrophobicContact CG-CD2 4.29Å; Q174-Y235 HydrophobicContact CG-CE2 3.9Å
175	P	91.6	Very high	95.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	16%	0.162	C	C	.	.			trans	-58.4	142.5	-177.4	28.7	-38.9	0	0	0	110.7	L97 F169 M170 F173 I177 Y235 I269	L97-P175 HydrophobicContact CD1-CB 3.99Å; F169-P175 HydrophobicContact CE1-CG 3.65Å; F169-P175 HydrophobicContact CZ-CB 4.21Å; F169-P175 HydrophobicContact CZ-CG 3.68Å; M170-P175 HydrophobicContact CE-CG 4.29Å; M170-P175 HydrophobicContact SD-CG 4.12Å; F173-P175 VanDerWaalsContact C-N 3.32Å; P175-I177 PolarHBondContact O-N 2.95Å; P175-Y235 VanDerWaalsContact CD-OH 3.25Å; P175-Y235 WeakPolarHBondContact CD-OH 3.37Å; P175-Y235 VanDerWaalsContact N-OH 3.16Å; P175-Y235 VanDerWaalsContact O-CE1 3.25Å; P175-Y235 WeakPolarHBondContact O-CE1 3.1Å; P175-Y235 PolarHBondContact O-OH 3.05Å; P175-I269 HydrophobicContact CB-CG2 3.71Å; P175-I269 HydrophobicContact CG-CG2 3.44Å; P175-I269 VanDerWaalsContact CG-CG2 3.44Å
176	P	93.6	Very high	95.5	Very high	12 Å²	12	33 Å²	33	8%	0.078	17%	0.168	C	C	.	.			trans	-56.3	135.1	179.7	-27.9	36.8	0	0	0	112.3	V231 F232 K233 C270 A272	P176-V231 HydrophobicContact CB-CG1 3.65Å; P176-F232 VanDerWaalsContact CA-O 3.3Å; P176-F232 WeakPolarHBondContact CA-O 2.99Å; P176-K233 HydrophobicContact CB-CG 4.22Å; P176-K233 HydrophobicContact CG-CG 4.31Å; P176-C270 HydrophobicContact CB-CB 4.45Å; P176-C270 PolarHBondContact O-N 2.79Å; P176-A272 HydrophobicContact CG-CB 4.18Å
177	I	97.2	Very high	95.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	104.9	177.2	-51.7	-177.5	0	0	0	107	M170 P175 L199 V231 F232 Y235 V239 V242 V267 E268 I269	M170-I177 HydrophobicContact CE-CD1 4.08Å; P175-I177 PolarHBondContact O-N 2.95Å; I177-L199 HydrophobicContact CD1-CD1 4.3Å; I177-L199 HydrophobicContact CD1-CD2 3.8Å; I177-V231 WeakPolarHBondContact O-CA 3.36Å; I177-F232 HydrophobicContact CB-CB 4.27Å; I177-F232 HydrophobicContact CB-CD2 4.45Å; I177-F232 PolarHBondContact N-O 2.68Å; I177-F232 PolarHBondContact O-N 3.31Å; I177-Y235 HydrophobicContact CD1-CE1 4.01Å; I177-Y235 HydrophobicContact CG1-CE1 3.86Å; I177-V239 HydrophobicContact CD1-CG1 4.47Å; I177-V242 HydrophobicContact CD1-CG2 4.33Å; I177-V242 HydrophobicContact CG2-CG2 4.4Å; I177-V267 HydrophobicContact CG2-CG1 3.99Å; I177-E268 CarbonylContact C-O 3.59Å; I177-E268 WeakPolarHBondContact CA-O 3.23Å; I177-I269 HydrophobicContact CB-CD1 4.32Å; I177-I269 HydrophobicContact CD1-CD1 3.99Å; I177-I269 HydrophobicContact CG1-CD1 3.66Å; I177-I269 HydrophobicContact CG2-CD1 4.08Å
178	R	97.4	Very high	95.4	Very high	68 Å²	68	35.8 Å²	35.8	26%	0.257	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.3	177.3	-177.6	171.8	68.5	156	9.8	109.6	Y230 V231 V267 E268 C270	R178-Y230 WeakPolarHBondContact CA-O 3.5Å; R178-V231 HydrophobicContact CB-CG2 4.14Å; R178-V231 HydrophobicContact CG-CG2 4.01Å; R178-V267 WeakPolarHBondContact O-CA 3.26Å; R178-E268 IonicContact CZ-OE2 3.13Å; R178-E268 PolarHBondContact N-O 2.84Å; R178-E268 IonicContact NE-OE2 3.99Å; R178-E268 IonicContact NH2-OE1 3.68Å; R178-E268 IonicContact NH2-OE2 3.61Å; R178-E268 PolarHBondContact NH2-OE2 2.77Å; R178-E268 PolarHBondContact O-N 3.44Å; R178-C270 VanDerWaalsContact CB-SG 3.54Å
179	I	98.1	Very high	95.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.6	173.7	73.2	91.2	0	0	0	108.2	I195 V197 F210 E229 Y230 F232 C266 V267	I179-I195 HydrophobicContact CD1-CD1 4.23Å; I179-V197 HydrophobicContact CB-CG2 4.5Å; I179-V197 HydrophobicContact CD1-CG2 4.21Å; I179-V197 HydrophobicContact CG1-CG2 4.36Å; I179-V197 HydrophobicContact CG2-CG1 4.07Å; I179-F210 HydrophobicContact CD1-CD1 4.04Å; I179-F210 HydrophobicContact CD1-CE1 3.96Å; I179-E229 WeakPolarHBondContact O-CA 3.32Å; I179-Y230 HydrophobicContact CG1-CD1 4.39Å; I179-Y230 PolarHBondContact N-O 3.02Å; I179-Y230 PolarHBondContact O-N 2.97Å; I179-F232 HydrophobicContact CG2-CD2 4.38Å; I179-F232 HydrophobicContact CG2-CE2 4.16Å; I179-C266 VanDerWaalsContact CA-O 3.32Å; I179-C266 WeakPolarHBondContact CA-O 3.34Å; I179-V267 HydrophobicContact CG2-CG2 4.28Å
180	S	98.4	Very high	95.8	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155	167.2	66.2	0	0	0	0	111.6	M228 C266	S180-M228 CarbonylContact C-O 3.56Å; S180-M228 WeakPolarHBondContact CA-O 3.45Å; S180-M228 WeakPolarHBondContact CB-O 3.36Å; S180-C266 PolarHBondContact N-O 2.79Å; S180-C266 PolarHBondContact O-N 3.28Å; S180-C266 VanDerWaalsContact OG-CB 3.24Å; S180-C266 WeakPolarHBondContact OG-CB 3.32Å
181	D	98.7	Very high	95.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	140	174.4	-159.9	39.2	0	0	0	109.9	Y193 I195 M228 F244 H246 S265	D181-Y193 PolarHBondContact OD2-OH 2.9Å; D181-I195 HydrophobicContact CB-CD1 3.9Å; D181-M228 PolarHBondContact N-O 2.61Å; D181-M228 PolarHBondContact O-N 3.13Å; D181-F244 HydrophobicContact CB-CZ 3.99Å; D181-H246 IonicContact OD1-CE1 3.27Å; D181-H246 IonicContact OD1-ND1 3.58Å; D181-H246 PolarHBondContact OD1-ND1 2.65Å; D181-H246 IonicContact OD2-CE1 2.74Å; D181-H246 IonicContact OD2-CG 2.86Å; D181-H246 IonicContact OD2-ND1 3.49Å; D181-H246 PolarHBondContact OD2-ND1 3.17Å; D181-S265 WeakPolarHBondContact OD1-CA 3.43Å; D181-S265 VanDerWaalsContact OD1-CB 3.23Å; D181-S265 WeakPolarHBondContact OD1-CB 3.07Å; D181-S265 PolarHBondContact OD1-OG 2.93Å
182	W	98.7	Very high	96	Very high	35 Å²	35	29.9 Å²	29.9	13%	0.133	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.5	174.1	-72.5	85.1	0	0	0	110.2	H136 W225 H226 Q227 V262 T263 E264	H136-W182 AromaticContact CE1-CD2 3.76Å; H136-W182 AromaticContact CE1-CE2 3.73Å; H136-W182 AromaticContact NE2-CD2 3.17Å; H136-W182 AromaticContact NE2-CE2 3.64Å; H136-W182 AromaticContact NE2-CE3 3.39Å; H136-W182 AromaticContact NE2-CG 3.41Å; H136-W182 AromaticContact NE2-CZ3 3.99Å; W182-W225 HydrophobicContact CB-CE3 4.25Å; W182-W225 HydrophobicContact CE3-CB 3.82Å; W182-W225 HydrophobicContact CZ3-CB 3.97Å; W182-H226 WeakPolarHBondContact CA-O 3.39Å; W182-Q227 HydrophobicContact CD2-CB 3.82Å; W182-Q227 HydrophobicContact CD2-CG 3.92Å; W182-Q227 HydrophobicContact CE3-CB 3.87Å; W182-Q227 HydrophobicContact CE3-CG 4.48Å; W182-Q227 HydrophobicContact CG-CG 4.29Å; W182-Q227 HydrophobicContact CH2-CB 3.9Å; W182-Q227 HydrophobicContact CH2-CG 4.47Å; W182-Q227 HydrophobicContact CZ2-CB 3.82Å; W182-Q227 HydrophobicContact CZ2-CG 3.88Å; W182-Q227 HydrophobicContact CZ3-CB 3.93Å; W182-V262 CarbonylContact O-C 3.58Å; W182-V262 VanDerWaalsContact O-CA 3.26Å; W182-V262 WeakPolarHBondContact O-CA 3.43Å; W182-T263 HydrophobicContact CB-CG2 4.25Å; W182-T263 WeakPolarHBondContact CB-O 3.33Å; W182-T263 PolarHBondContact N-O 3.41Å; W182-T263 VanDerWaalsContact N-O 3.14Å; W182-T263 PolarHBondContact O-N 3.4Å; W182-E264 HydrophobicContact CG-CB 4.36Å; W182-E264 PolarHBondContact NE1-OE2 3.42Å; W182-E264 VanDerWaalsContact NE1-OE2 3.16Å
183	Y	98.6	Very high	96.4	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.082	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.2	179.7	62.8	-89.4	0	0	0	111.2	Y193 L215 F217 H226 M228 I260 R261	Y183-Y193 HydrophobicContact CD1-CD1 4Å; Y183-Y193 HydrophobicContact CD1-CD2 4.4Å; Y183-Y193 AromaticContact CD1-CE1 3.6Å; Y183-Y193 HydrophobicContact CD1-CE1 3.6Å; Y183-Y193 HydrophobicContact CD1-CE2 4.05Å; Y183-Y193 HydrophobicContact CD1-CG 4.36Å; Y183-Y193 AromaticContact CD1-CZ 3.61Å; Y183-Y193 HydrophobicContact CD2-CD1 4.27Å; Y183-Y193 HydrophobicContact CD2-CG 4.2Å; Y183-Y193 HydrophobicContact CE1-CD1 4.19Å; Y183-Y193 AromaticContact CE1-CE1 3.81Å; Y183-Y193 HydrophobicContact CE1-CE1 3.81Å; Y183-Y193 HydrophobicContact CE2-CD1 4.46Å; Y183-Y193 HydrophobicContact CG-CD1 4.04Å; Y183-Y193 HydrophobicContact CG-CD2 4Å; Y183-Y193 HydrophobicContact CG-CE1 4.07Å; Y183-Y193 HydrophobicContact CG-CE2 4.05Å; Y183-Y193 AromaticContact CG-CG 3.98Å; Y183-Y193 HydrophobicContact CG-CG 3.98Å; Y183-L215 HydrophobicContact CE1-CD1 4.39Å; Y183-L215 HydrophobicContact CE2-CD1 4.13Å; Y183-L215 VanDerWaalsContact OH-CD1 3.28Å; Y183-L215 WeakPolarHBondContact OH-CD1 3.47Å; Y183-F217 HydrophobicContact CD2-CE2 4.17Å; Y183-F217 HydrophobicContact CD2-CZ 4.1Å; Y183-F217 HydrophobicContact CE2-CE1 4.35Å; Y183-F217 AromaticContact CE2-CE2 3.91Å; Y183-F217 HydrophobicContact CE2-CE2 3.91Å; Y183-F217 AromaticContact CE2-CZ 3.44Å; Y183-F217 HydrophobicContact CE2-CZ 3.44Å; Y183-F217 VanDerWaalsContact CE2-CZ 3.44Å; Y183-H226 HydrophobicContact CD2-CB 4.17Å; Y183-H226 HydrophobicContact CE1-CB 4.08Å; Y183-H226 HydrophobicContact CE2-CB 3.52Å; Y183-H226 AromaticContact CE2-CD2 3.96Å; Y183-H226 VanDerWaalsContact CZ-CB 3.5Å; Y183-H226 PolarHBondContact N-O 3.23Å; Y183-H226 PolarHBondContact O-N 2.82Å; Y183-M228 HydrophobicContact CE1-CB 4.01Å; Y183-M228 HydrophobicContact CE1-CE 4.46Å; Y183-I260 HydrophobicContact CD2-CD1 4.27Å; Y183-R261 CarbonylContact C-O 3.57Å; Y183-R261 WeakPolarHBondContact CA-O 3.44Å
184	A	98.3	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	131.1	176.9	0	0	0	0	0	111.6	Q224 W225 I260 R261	A184-Q224 WeakPolarHBondContact CB-O 3.21Å; A184-W225 HydrophobicContact CB-CD2 3.63Å; A184-W225 HydrophobicContact CB-CE3 3.48Å; A184-W225 VanDerWaalsContact CB-CE3 3.48Å; A184-W225 HydrophobicContact CB-CG 4.19Å; A184-W225 HydrophobicContact CB-CH2 4.22Å; A184-W225 HydrophobicContact CB-CZ2 4.38Å; A184-W225 HydrophobicContact CB-CZ3 3.79Å; A184-I260 WeakPolarHBondContact O-CD1 3.27Å; A184-R261 VanDerWaalsContact CB-NH2 3.32Å; A184-R261 PolarHBondContact N-O 3.24Å; A184-R261 WeakPolarHBondContact O-CB 3.33Å; A184-R261 PolarHBondContact O-N 2.8Å; A184-R261 PolarHBondContact O-NE 3.28Å
185	P	97.6	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	8%	0.084	C	C	.	.			trans	-72.5	170	169.1	34.1	-37	0	0	0	110.9	S191 F217 N221 I260 R261	P185-S191 WeakPolarHBondContact CB-OG 3.47Å; P185-F217 HydrophobicContact CB-CB 3.57Å; P185-F217 HydrophobicContact CB-CD1 4.25Å; P185-F217 HydrophobicContact CB-CD2 4.2Å; P185-F217 HydrophobicContact CB-CG 3.72Å; P185-F217 HydrophobicContact CG-CB 3.97Å; P185-F217 HydrophobicContact CG-CD1 3.77Å; P185-F217 HydrophobicContact CG-CD2 4.47Å; P185-F217 HydrophobicContact CG-CG 3.78Å; P185-N221 VanDerWaalsContact CG-OD1 3.32Å; P185-N221 WeakPolarHBondContact CG-OD1 3.32Å; P185-I260 HydrophobicContact CB-CD1 4.37Å; P185-R261 PolarHBondContact O-NH2 2.95Å
186	R	96.2	Very high	97.6	Very high	37 Å²	37	20.4 Å²	20.4	14%	0.14	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-94.3	148.6	164.4	-66.3	176.4	60	138	5.1	109.9	M133 D188 N221 W257	M133-R186 HydrophobicContact CE-CG 4.22Å; M133-R186 VanDerWaalsContact CE-CZ 3.47Å; M133-R186 VanDerWaalsContact CE-NH1 3.3Å; M133-R186 HydrophobicContact SD-CG 3.92Å; R186-D188 VanDerWaalsContact C-N 3.3Å; R186-D188 VanDerWaalsContact CB-OD1 3.26Å; R186-D188 WeakPolarHBondContact CB-OD1 3.37Å; R186-D188 IonicContact CZ-OD1 2.64Å; R186-D188 IonicContact CZ-OD2 3.55Å; R186-D188 IonicContact NE-OD1 2.64Å; R186-D188 PolarHBondContact NE-OD1 2.71Å; R186-D188 IonicContact NE-OD2 2.84Å; R186-D188 IonicContact NH2-OD1 3.07Å; R186-D188 PolarHBondContact NH2-OD1 2.85Å; R186-D188 IonicContact NH2-OD2 3.44Å; R186-D188 PolarHBondContact NH2-OD2 3.22Å; R186-D188 PolarHBondContact O-N 3.3Å; R186-N221 PolarHBondContact O-ND2 2.81Å; R186-N221 PolarHBondContact O-OD1 2.99Å; R186-W257 PolarHBondContact NH1-O 2.96Å
187	W	95.9	Very high	97.8	Very high	120 Å²	120	19.9 Å²	19.9	46%	0.455	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.6	178.2	74.8	-77.8	0	0	0	111.8	W220 N221 Q223	W187-W220 AromaticContact CE3-CE3 3.63Å; W187-W220 HydrophobicContact CE3-CE3 3.63Å; W187-W220 AromaticContact CE3-CZ3 3.74Å; W187-W220 HydrophobicContact CE3-CZ3 3.74Å; W187-W220 AromaticContact CH2-CZ3 3.9Å; W187-W220 HydrophobicContact CH2-CZ3 3.9Å; W187-W220 AromaticContact CZ3-CE3 3.54Å; W187-W220 HydrophobicContact CZ3-CE3 3.54Å; W187-W220 HydrophobicContact CZ3-CH2 4.48Å; W187-W220 AromaticContact CZ3-CZ3 3.24Å; W187-W220 HydrophobicContact CZ3-CZ3 3.24Å; W187-W220 VanDerWaalsContact O-CA 3.23Å; W187-W220 WeakPolarHBondContact O-CA 3.37Å; W187-W220 PolarHBondContact O-N 2.61Å; W187-N221 WeakPolarHBondContact CB-O 3.24Å; W187-Q223 HydrophobicContact CB-CB 3.99Å; W187-Q223 HydrophobicContact CB-CG 4Å; W187-Q223 VanDerWaalsContact CD1-OE1 3.24Å
188	D	95.8	Very high	97.9	Very high	30 Å²	30	20.9 Å²	20.9	16%	0.16	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.6	-173	62.1	-8.8	0	0	0	114.3	R186 Q219 W254	R186-D188 VanDerWaalsContact C-N 3.3Å; R186-D188 VanDerWaalsContact CB-OD1 3.26Å; R186-D188 WeakPolarHBondContact CB-OD1 3.37Å; R186-D188 IonicContact CZ-OD1 2.64Å; R186-D188 IonicContact CZ-OD2 3.55Å; R186-D188 IonicContact NE-OD1 2.64Å; R186-D188 PolarHBondContact NE-OD1 2.71Å; R186-D188 IonicContact NE-OD2 2.84Å; R186-D188 IonicContact NH2-OD1 3.07Å; R186-D188 PolarHBondContact NH2-OD1 2.85Å; R186-D188 IonicContact NH2-OD2 3.44Å; R186-D188 PolarHBondContact NH2-OD2 3.22Å; R186-D188 PolarHBondContact O-N 3.3Å; D188-Q219 PolarHBondContact O-NE2 2.99Å; D188-W254 WeakPolarHBondContact O-CZ3 3.31Å
189	C	96.3	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-150.5	140.5	177.8	-173.7	0	0	0	0	112	Q252 W254 Y258	C189-Q252 VanDerWaalsContact SG-CG 3.54Å; C189-W254 HydrophobicContact CB-CE3 4.31Å; C189-W254 HydrophobicContact CB-CZ3 4.31Å; C189-Y258 HydrophobicContact CB-CD1 4.04Å; C189-Y258 HydrophobicContact CB-CG 4.37Å
190	G	97.4	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.			trans	-69	149.2	169.7	0	0	0	0	0	111.8	F217 D250 T251	G190-F217 CarbonylContact C-O 3.52Å; G190-F217 WeakPolarHBondContact CA-O 3.5Å; G190-D250 WeakPolarHBondContact O-CA 3.36Å; G190-T251 VanDerWaalsContact C-OG1 3.27Å; G190-T251 WeakPolarHBondContact CA-OG1 3.49Å; G190-T251 PolarHBondContact O-N 3.06Å; G190-T251 PolarHBondContact O-OG1 2.81Å
191	S	97.9	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161	-178.2	58.8	0	0	0	0	112.2	P185 F217 K249	P185-S191 WeakPolarHBondContact CB-OG 3.47Å; S191-F217 PolarHBondContact N-O 2.85Å; S191-F217 PolarHBondContact O-N 2.87Å; S191-K249 CarbonylContact C-O 3.55Å; S191-K249 WeakPolarHBondContact CA-O 3.49Å
192	I	98.4	Very high	98	Very high	27 Å²	27	24 Å²	24	14%	0.138	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.4	176.8	-59.7	175.9	0	0	0	108.5	W151 L214 L215 G248 K249 T251	W151-I192 HydrophobicContact CH2-CG2 3.84Å; I192-L214 HydrophobicContact CG2-CB 4Å; I192-L214 HydrophobicContact CG2-CD1 4.34Å; I192-L214 HydrophobicContact CG2-CD2 4.44Å; I192-L215 CarbonylContact C-O 3.56Å; I192-L215 VanDerWaalsContact CA-O 3.31Å; I192-L215 WeakPolarHBondContact CA-O 3.35Å; I192-G248 CarbonylContact O-C 3.52Å; I192-G248 WeakPolarHBondContact O-CA 3.36Å; I192-K249 HydrophobicContact CB-CG 4.47Å; I192-K249 PolarHBondContact N-O 3.02Å; I192-K249 PolarHBondContact O-N 3.16Å; I192-K249 VanDerWaalsContact O-N 3.13Å; I192-T251 HydrophobicContact CD1-CG2 4.11Å; I192-T251 HydrophobicContact CG1-CG2 3.77Å
193	Y	98.7	Very high	97.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.7	172.1	170	-107.5	0	0	0	110.8	D181 Y183 I195 L215 I260 V262	D181-Y193 PolarHBondContact OD2-OH 2.9Å; Y183-Y193 HydrophobicContact CD1-CD1 4Å; Y183-Y193 HydrophobicContact CD1-CD2 4.4Å; Y183-Y193 AromaticContact CD1-CE1 3.6Å; Y183-Y193 HydrophobicContact CD1-CE1 3.6Å; Y183-Y193 HydrophobicContact CD1-CE2 4.05Å; Y183-Y193 HydrophobicContact CD1-CG 4.36Å; Y183-Y193 AromaticContact CD1-CZ 3.61Å; Y183-Y193 HydrophobicContact CD2-CD1 4.27Å; Y183-Y193 HydrophobicContact CD2-CG 4.2Å; Y183-Y193 HydrophobicContact CE1-CD1 4.19Å; Y183-Y193 AromaticContact CE1-CE1 3.81Å; Y183-Y193 HydrophobicContact CE1-CE1 3.81Å; Y183-Y193 HydrophobicContact CE2-CD1 4.46Å; Y183-Y193 HydrophobicContact CG-CD1 4.04Å; Y183-Y193 HydrophobicContact CG-CD2 4Å; Y183-Y193 HydrophobicContact CG-CE1 4.07Å; Y183-Y193 HydrophobicContact CG-CE2 4.05Å; Y183-Y193 AromaticContact CG-CG 3.98Å; Y183-Y193 HydrophobicContact CG-CG 3.98Å; Y193-I195 HydrophobicContact CE1-CB 4.18Å; Y193-I195 HydrophobicContact CE1-CG2 3.82Å; Y193-I195 WeakPolarHBondContact OH-CB 3.39Å; Y193-I195 WeakPolarHBondContact OH-CD1 3.41Å; Y193-L215 HydrophobicContact CD1-CB 4.28Å; Y193-L215 HydrophobicContact CD1-CD1 3.92Å; Y193-L215 HydrophobicContact CD1-CG 4.23Å; Y193-L215 HydrophobicContact CE1-CD1 4.4Å; Y193-L215 PolarHBondContact N-O 2.57Å; Y193-L215 PolarHBondContact O-N 3.3Å; Y193-I260 HydrophobicContact CD2-CG1 4.18Å; Y193-I260 HydrophobicContact CG-CG1 4.44Å; Y193-V262 HydrophobicContact CD2-CG1 4.06Å; Y193-V262 HydrophobicContact CE2-CG1 3.96Å
194	Q	98.5	Very high	97.8	Very high	48 Å²	48	32 Å²	32	22%	0.224	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.8	174.9	-174.7	175.4	38.2	0	0	110.3	W151 L214 H246 G247	W151-Q194 HydrophobicContact CH2-CB 4.33Å; W151-Q194 HydrophobicContact CZ3-CB 3.96Å; Q194-L214 HydrophobicContact CB-CD2 3.57Å; Q194-L214 HydrophobicContact CG-CD2 3.55Å; Q194-H246 CarbonylContact O-C 3.54Å; Q194-H246 WeakPolarHBondContact O-CA 3.26Å; Q194-H246 WeakPolarHBondContact O-CB 3.4Å; Q194-G247 PolarHBondContact N-O 2.87Å; Q194-G247 PolarHBondContact O-N 2.91Å
195	I	98.7	Very high	97.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.6	168.1	-175.6	168.2	0	0	0	109.6	I179 D181 Y193 V197 F210 P212 F244 T245 H246	I179-I195 HydrophobicContact CD1-CD1 4.23Å; D181-I195 HydrophobicContact CB-CD1 3.9Å; Y193-I195 HydrophobicContact CE1-CB 4.18Å; Y193-I195 HydrophobicContact CE1-CG2 3.82Å; Y193-I195 WeakPolarHBondContact OH-CB 3.39Å; Y193-I195 WeakPolarHBondContact OH-CD1 3.41Å; I195-V197 HydrophobicContact CD1-CG2 4.17Å; I195-V197 HydrophobicContact CG1-CG2 4.1Å; I195-F210 HydrophobicContact CG2-CE1 4.28Å; I195-P212 HydrophobicContact CG2-CG 3.76Å; I195-F244 HydrophobicContact CD1-CE2 3.92Å; I195-F244 HydrophobicContact CD1-CZ 3.77Å; I195-T245 CarbonylContact C-O 3.51Å; I195-T245 WeakPolarHBondContact CA-O 3.48Å; I195-H246 HydrophobicContact CB-CB 4.32Å; I195-H246 HydrophobicContact CG1-CB 4.31Å
196	S	98.6	Very high	97.9	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.112	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.9	165.8	164	0	0	0	0	108.4	E209 F210 T245	S196-E209 PolarHBondContact OG-OE1 2.91Å; S196-F210 CarbonylContact C-O 3.55Å; S196-F210 VanDerWaalsContact CA-O 3.31Å; S196-F210 WeakPolarHBondContact CA-O 3.37Å; S196-T245 PolarHBondContact N-O 3.1Å; S196-T245 PolarHBondContact O-N 3.01Å; S196-T245 VanDerWaalsContact O-O 3.05Å
197	V	98.8	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.7	173	-170.4	0	0	0	0	109.3	I179 I195 E209 F210 F232 V242 R243 F244	I179-V197 HydrophobicContact CB-CG2 4.5Å; I179-V197 HydrophobicContact CD1-CG2 4.21Å; I179-V197 HydrophobicContact CG1-CG2 4.36Å; I179-V197 HydrophobicContact CG2-CG1 4.07Å; I195-V197 HydrophobicContact CD1-CG2 4.17Å; I195-V197 HydrophobicContact CG1-CG2 4.1Å; V197-E209 WeakPolarHBondContact O-CA 3.31Å; V197-F210 PolarHBondContact N-O 3.2Å; V197-F210 PolarHBondContact O-N 3.38Å; V197-F232 HydrophobicContact CB-CE2 4.28Å; V197-F232 HydrophobicContact CB-CZ 4.41Å; V197-F232 HydrophobicContact CG1-CE2 4.08Å; V197-F232 HydrophobicContact CG1-CZ 4.49Å; V197-F232 WeakPolarHBondContact O-CZ 3.18Å; V197-V242 HydrophobicContact CG1-CG1 3.63Å; V197-R243 CarbonylContact C-O 3.57Å; V197-R243 VanDerWaalsContact CA-O 3.28Å; V197-R243 WeakPolarHBondContact CA-O 3.21Å; V197-F244 HydrophobicContact CG1-CD2 4.46Å; V197-F244 HydrophobicContact CG2-CD2 3.56Å; V197-F244 HydrophobicContact CG2-CE2 3.96Å; V197-F244 HydrophobicContact CG2-CG 4.24Å
198	Q	98.9	Very high	98.1	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.5	-175.5	-61.6	169.9	-19.4	0	0	110.1	L200 I206 Q208 E209 V242 R243	Q198-L200 HydrophobicContact CB-CD2 3.69Å; Q198-L200 HydrophobicContact CB-CG 4.38Å; Q198-I206 HydrophobicContact CB-CG2 4.47Å; Q198-I206 HydrophobicContact CG-CD1 4.48Å; Q198-I206 HydrophobicContact CG-CG1 4.5Å; Q198-I206 HydrophobicContact CG-CG2 4.49Å; Q198-Q208 CarbonylContact C-O 3.56Å; Q198-Q208 WeakPolarHBondContact CA-O 3.44Å; Q198-E209 HydrophobicContact CG-CB 4.16Å; Q198-E209 HydrophobicContact CG-CG 3.84Å; Q198-E209 PolarHBondContact NE2-OE1 3.2Å; Q198-V242 CarbonylContact O-C 3.49Å; Q198-V242 WeakPolarHBondContact O-CA 3.33Å; Q198-R243 HydrophobicContact CB-CB 4.35Å; Q198-R243 PolarHBondContact N-O 3.08Å; Q198-R243 PolarHBondContact O-N 3.25Å
199	L	98.9	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.2	165.5	-56.9	-170.8	0	0	0	107.9	I177 L207 Q208 F232 Y235 V239 V242	I177-L199 HydrophobicContact CD1-CD1 4.3Å; I177-L199 HydrophobicContact CD1-CD2 3.8Å; L199-L207 PolarHBondContact O-N 3.22Å; L199-Q208 HydrophobicContact CB-CB 4.29Å; L199-Q208 HydrophobicContact CD1-CB 4.32Å; L199-Q208 HydrophobicContact CG-CB 4.38Å; L199-Q208 PolarHBondContact N-O 2.92Å; L199-Q208 PolarHBondContact O-N 2.83Å; L199-F232 HydrophobicContact CD1-CB 3.77Å; L199-F232 HydrophobicContact CD1-CD1 3.63Å; L199-F232 HydrophobicContact CD1-CD2 4.32Å; L199-F232 HydrophobicContact CD1-CE1 4.28Å; L199-F232 HydrophobicContact CD1-CG 3.66Å; L199-F232 HydrophobicContact CD2-CD2 4.08Å; L199-F232 HydrophobicContact CD2-CE2 4.25Å; L199-F232 HydrophobicContact CD2-CG 4.25Å; L199-F232 HydrophobicContact CG-CD1 3.87Å; L199-F232 HydrophobicContact CG-CD2 4.26Å; L199-F232 HydrophobicContact CG-CE1 4.03Å; L199-F232 HydrophobicContact CG-CE2 4.39Å; L199-F232 HydrophobicContact CG-CG 3.99Å; L199-F232 HydrophobicContact CG-CZ 4.28Å; L199-Y235 HydrophobicContact CD1-CD1 3.96Å; L199-Y235 HydrophobicContact CD1-CD2 4.28Å; L199-Y235 HydrophobicContact CD1-CG 3.7Å; L199-V239 HydrophobicContact CB-CG1 4.11Å; L199-V239 HydrophobicContact CB-CG2 4.01Å; L199-V239 HydrophobicContact CD1-CG2 4.15Å; L199-V239 HydrophobicContact CD2-CG1 4.4Å; L199-V242 HydrophobicContact CD2-CG1 4.35Å; L199-V242 HydrophobicContact CD2-CG2 3.86Å
200	L	98.9	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.4	-173.4	-45.6	174.2	0	0	0	111.6	Q198 Q204 D205 I206 R240 Y241 R243	Q198-L200 HydrophobicContact CB-CD2 3.69Å; Q198-L200 HydrophobicContact CB-CG 4.38Å; L200-Q204 HydrophobicContact CD1-CB 4.29Å; L200-D205 CarbonylContact C-O 3.45Å; L200-D205 WeakPolarHBondContact CA-O 3.49Å; L200-I206 HydrophobicContact CD2-CB 4.21Å; L200-I206 HydrophobicContact CD2-CG1 3.63Å; L200-R240 PolarHBondContact O-N 3.23Å; L200-Y241 PolarHBondContact N-O 2.96Å; L200-Y241 PolarHBondContact O-N 2.89Å; L200-Y241 VanDerWaalsContact O-N 3.09Å; L200-R243 HydrophobicContact CD1-CB 3.83Å; L200-R243 HydrophobicContact CG-CB 4.42Å
201	D	98.6	Very high	98.3	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	24%	0.235	C	C	.	.			trans	-81.3	-171	175.7	98	-40.7	0	0	0	112	E203 Q204 D205 L207 G238 Y241	D201-E203 VanDerWaalsContact C-N 3.33Å; D201-E203 PolarHBondContact O-N 3.36Å; D201-E203 WeakPolarHBondContact OD1-CA 3.38Å; D201-E203 PolarHBondContact OD1-N 3.45Å; D201-E203 PolarHBondContact OD2-N 2.97Å; D201-Q204 PolarHBondContact O-N 2.55Å; D201-Q204 PolarHBondContact OD1-N 3.19Å; D201-D205 PolarHBondContact N-O 2.9Å; D201-D205 WeakPolarHBondContact OD1-CB 3.47Å; D201-D205 PolarHBondContact OD1-N 3.07Å; D201-L207 HydrophobicContact CB-CD1 3.74Å; D201-L207 HydrophobicContact CB-CD2 3.98Å; D201-L207 HydrophobicContact CB-CG 3.85Å; D201-G238 WeakPolarHBondContact CA-O 3.27Å; D201-Y241 WeakPolarHBondContact O-CD2 3.36Å; D201-Y241 WeakPolarHBondContact O-CE2 3.29Å
202	H	97.7	Very high	98.3	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.565	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26	178.8	74.7	-55	0	0	0	115.3	R240	H202-R240 HydrophobicContact CB-CG 3.98Å
203	E	97.8	Very high	98.2	Very high	134 Å²	134	55.9 Å²	55.9	63%	0.626	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.6	175	-66.4	-178	169.7	0	0	111.7	D201 D205	D201-E203 VanDerWaalsContact C-N 3.33Å; D201-E203 PolarHBondContact O-N 3.36Å; D201-E203 WeakPolarHBondContact OD1-CA 3.38Å; D201-E203 PolarHBondContact OD1-N 3.45Å; D201-E203 PolarHBondContact OD2-N 2.97Å; E203-D205 VanDerWaalsContact C-N 3.29Å
204	Q	96.8	Very high	98.1	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	30%	0.298	S	S	.	.			trans	69.3	22	-172.4	-53.6	-170.4	-3.5	0	0	114.3	L200 D201 Y241	L200-Q204 HydrophobicContact CD1-CB 4.29Å; D201-Q204 PolarHBondContact O-N 2.55Å; D201-Q204 PolarHBondContact OD1-N 3.19Å; Q204-Y241 HydrophobicContact CG-CD2 4.23Å; Q204-Y241 HydrophobicContact CG-CE2 4.23Å
205	D	98.3	Very high	98.1	Very high	97 Å²	97	59.5 Å²	59.5	52%	0.519	30%	0.301	S	S	.	.			trans	-74.1	146	169.4	-75.4	-25	0	0	0	110.6	L200 D201 E203 L207	L200-D205 CarbonylContact C-O 3.45Å; L200-D205 WeakPolarHBondContact CA-O 3.49Å; D201-D205 PolarHBondContact N-O 2.9Å; D201-D205 WeakPolarHBondContact OD1-CB 3.47Å; D201-D205 PolarHBondContact OD1-N 3.07Å; E203-D205 VanDerWaalsContact C-N 3.29Å; D205-L207 PolarHBondContact O-N 3.14Å
206	I	98.6	Very high	98	Very high	86 Å²	86	63.4 Å²	63.4	44%	0.441	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.6	-176.5	-59	166.4	0	0	0	109.3	Q198 L200 E209	Q198-I206 HydrophobicContact CB-CG2 4.47Å; Q198-I206 HydrophobicContact CG-CD1 4.48Å; Q198-I206 HydrophobicContact CG-CG1 4.5Å; Q198-I206 HydrophobicContact CG-CG2 4.49Å; L200-I206 HydrophobicContact CD2-CB 4.21Å; L200-I206 HydrophobicContact CD2-CG1 3.63Å; I206-E209 HydrophobicContact CG2-CB 4.19Å
207	L	98.4	Very high	98	Very high	72 Å²	72	64.1 Å²	64.1	38%	0.377	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-43.9	172.4	-63.2	175.4	0	0	0	111.2	L199 D201 D205 V239	L199-L207 PolarHBondContact O-N 3.22Å; D201-L207 HydrophobicContact CB-CD1 3.74Å; D201-L207 HydrophobicContact CB-CD2 3.98Å; D201-L207 HydrophobicContact CB-CG 3.85Å; D205-L207 PolarHBondContact O-N 3.14Å; L207-V239 HydrophobicContact CD1-CB 4.44Å; L207-V239 HydrophobicContact CD1-CG2 3.78Å
208	Q	98.3	Very high	97.9	Very high	61 Å²	61	68.3 Å²	68.3	29%	0.285	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.9	175.6	-65.6	-161.3	-6.7	0	0	110.8	Q198 L199 F232	Q198-Q208 CarbonylContact C-O 3.56Å; Q198-Q208 WeakPolarHBondContact CA-O 3.44Å; L199-Q208 HydrophobicContact CB-CB 4.29Å; L199-Q208 HydrophobicContact CD1-CB 4.32Å; L199-Q208 HydrophobicContact CG-CB 4.38Å; L199-Q208 PolarHBondContact N-O 2.92Å; L199-Q208 PolarHBondContact O-N 2.83Å; Q208-F232 HydrophobicContact CB-CD1 4.23Å; Q208-F232 HydrophobicContact CB-CE1 4.11Å
209	E	98.4	Very high	97.7	Very high	93 Å²	93	69.9 Å²	69.9	44%	0.435	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.1	178.8	179.4	168.1	-142.6	0	0	111	S196 V197 Q198 I206	S196-E209 PolarHBondContact OG-OE1 2.91Å; V197-E209 WeakPolarHBondContact O-CA 3.31Å; Q198-E209 HydrophobicContact CG-CB 4.16Å; Q198-E209 HydrophobicContact CG-CG 3.84Å; Q198-E209 PolarHBondContact NE2-OE1 3.2Å; I206-E209 HydrophobicContact CG2-CB 4.19Å
210	F	98.3	Very high	97.6	Very high	28 Å²	28	78 Å²	78	12%	0.123	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	108.3	162.5	171.6	-108	0	0	0	108.2	I179 I195 S196 V197 P212 M228 Y230 F232	I179-F210 HydrophobicContact CD1-CD1 4.04Å; I179-F210 HydrophobicContact CD1-CE1 3.96Å; I195-F210 HydrophobicContact CG2-CE1 4.28Å; S196-F210 CarbonylContact C-O 3.55Å; S196-F210 VanDerWaalsContact CA-O 3.31Å; S196-F210 WeakPolarHBondContact CA-O 3.37Å; V197-F210 PolarHBondContact N-O 3.2Å; V197-F210 PolarHBondContact O-N 3.38Å; F210-P212 HydrophobicContact CE1-CG 3.96Å; F210-P212 HydrophobicContact CE2-CB 4.37Å; F210-P212 HydrophobicContact CE2-CG 4.24Å; F210-P212 HydrophobicContact CZ-CB 4.2Å; F210-P212 HydrophobicContact CZ-CG 3.66Å; F210-M228 HydrophobicContact CE1-CG 4.25Å; F210-M228 HydrophobicContact CZ-CG 4.3Å; F210-M228 HydrophobicContact CZ-SD 4.05Å; F210-Y230 HydrophobicContact CB-CD1 3.73Å; F210-Y230 HydrophobicContact CB-CE1 3.74Å; F210-Y230 HydrophobicContact CB-CG 4.25Å; F210-Y230 HydrophobicContact CD1-CD1 4.26Å; F210-Y230 HydrophobicContact CD1-CG 4.12Å; F210-Y230 AromaticContact CD2-CD1 3.82Å; F210-Y230 HydrophobicContact CD2-CD1 3.82Å; F210-Y230 AromaticContact CD2-CD2 3.37Å; F210-Y230 HydrophobicContact CD2-CD2 3.37Å; F210-Y230 HydrophobicContact CD2-CE1 4.05Å; F210-Y230 AromaticContact CD2-CE2 3.62Å; F210-Y230 HydrophobicContact CD2-CE2 3.62Å; F210-Y230 AromaticContact CD2-CG 3.47Å; F210-Y230 HydrophobicContact CD2-CG 3.47Å; F210-Y230 VanDerWaalsContact CD2-CG 3.47Å; F210-Y230 AromaticContact CD2-CZ 3.95Å; F210-Y230 HydrophobicContact CE1-CG 4.33Å; F210-Y230 AromaticContact CE2-CD2 3.46Å; F210-Y230 HydrophobicContact CE2-CD2 3.46Å; F210-Y230 VanDerWaalsContact CE2-CD2 3.46Å; F210-Y230 HydrophobicContact CE2-CE2 4.05Å; F210-Y230 AromaticContact CE2-CG 3.73Å; F210-Y230 HydrophobicContact CE2-CG 3.73Å; F210-Y230 AromaticContact CG-CD1 3.66Å; F210-Y230 HydrophobicContact CG-CD1 3.66Å; F210-Y230 HydrophobicContact CG-CD2 4.07Å; F210-Y230 HydrophobicContact CG-CE1 4.05Å; F210-Y230 HydrophobicContact CG-CE2 4.41Å; F210-Y230 AromaticContact CG-CG 3.67Å; F210-Y230 HydrophobicContact CG-CG 3.67Å; F210-Y230 HydrophobicContact CZ-CD2 4.22Å; F210-Y230 HydrophobicContact CZ-CG 4.15Å; F210-F232 HydrophobicContact CB-CE1 4.1Å; F210-F232 HydrophobicContact CB-CE2 4.24Å; F210-F232 HydrophobicContact CB-CZ 3.5Å
211	S	97.6	Very high	97.4	Very high	61 Å²	61	79.2 Å²	79.2	43%	0.427	40%	0.401	S	S	.	.			trans	-138.7	86.9	175.8	178.8	0	0	0	0	108.9
212	P	97	Very high	97.1	Very high	41 Å²	41	82.3 Å²	82.3	27%	0.266	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.2	167.2	177.3	29.6	-35.5	0	0	0	111.4	I195 F210	I195-P212 HydrophobicContact CG2-CG 3.76Å; F210-P212 HydrophobicContact CE1-CG 3.96Å; F210-P212 HydrophobicContact CE2-CB 4.37Å; F210-P212 HydrophobicContact CE2-CG 4.24Å; F210-P212 HydrophobicContact CZ-CB 4.2Å; F210-P212 HydrophobicContact CZ-CG 3.66Å
213	E	97.3	Very high	97.1	Very high	177 Å²	177	79 Å²	79	83%	0.827	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-59.1	149.8	171.8	-169.9	174.2	-178.2	0	0	111	L215	E213-L215 PolarHBondContact O-N 3.04Å
214	L	96.9	Very high	97	Very high	75 Å²	75	77.7 Å²	77.7	39%	0.393	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-57.1	128.2	176.3	-61.9	-179.6	0	0	0	110.5	W151 I192 Q194	W151-L214 HydrophobicContact CH2-CD1 4.17Å; W151-L214 HydrophobicContact CH2-CD2 4.01Å; W151-L214 HydrophobicContact CZ2-CD1 4.3Å; I192-L214 HydrophobicContact CG2-CB 4Å; I192-L214 HydrophobicContact CG2-CD1 4.34Å; I192-L214 HydrophobicContact CG2-CD2 4.44Å; Q194-L214 HydrophobicContact CB-CD2 3.57Å; Q194-L214 HydrophobicContact CG-CD2 3.55Å
215	L	97.3	Very high	97.1	Very high	52 Å²	52	74.5 Å²	74.5	27%	0.272	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.4	175.9	-58.4	-174.9	0	0	0	109.3	Y183 I192 Y193 E213 F217 M228	Y183-L215 HydrophobicContact CE1-CD1 4.39Å; Y183-L215 HydrophobicContact CE2-CD1 4.13Å; Y183-L215 VanDerWaalsContact OH-CD1 3.28Å; Y183-L215 WeakPolarHBondContact OH-CD1 3.47Å; I192-L215 CarbonylContact C-O 3.56Å; I192-L215 VanDerWaalsContact CA-O 3.31Å; I192-L215 WeakPolarHBondContact CA-O 3.35Å; Y193-L215 HydrophobicContact CD1-CB 4.28Å; Y193-L215 HydrophobicContact CD1-CD1 3.92Å; Y193-L215 HydrophobicContact CD1-CG 4.23Å; Y193-L215 HydrophobicContact CE1-CD1 4.4Å; Y193-L215 PolarHBondContact N-O 2.57Å; Y193-L215 PolarHBondContact O-N 3.3Å; E213-L215 PolarHBondContact O-N 3.04Å; L215-F217 HydrophobicContact CB-CE2 3.77Å; L215-F217 HydrophobicContact CB-CZ 4.03Å; L215-F217 HydrophobicContact CD1-CZ 4.48Å; L215-M228 HydrophobicContact CD1-CE 3.83Å
216	S	97.6	Very high	97	Very high	83 Å²	83	72.7 Å²	72.7	58%	0.58	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.1	178	-178.3	0	0	0	0	110.7
217	F	97.8	Very high	97	Very high	31 Å²	31	72.4 Å²	72.4	14%	0.136	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.1	177.3	-61.8	-85.4	0	0	0	109.5	Y183 P185 G190 S191 L215 I260	Y183-F217 HydrophobicContact CD2-CE2 4.17Å; Y183-F217 HydrophobicContact CD2-CZ 4.1Å; Y183-F217 HydrophobicContact CE2-CE1 4.35Å; Y183-F217 AromaticContact CE2-CE2 3.91Å; Y183-F217 HydrophobicContact CE2-CE2 3.91Å; Y183-F217 AromaticContact CE2-CZ 3.44Å; Y183-F217 HydrophobicContact CE2-CZ 3.44Å; Y183-F217 VanDerWaalsContact CE2-CZ 3.44Å; P185-F217 HydrophobicContact CB-CB 3.57Å; P185-F217 HydrophobicContact CB-CD1 4.25Å; P185-F217 HydrophobicContact CB-CD2 4.2Å; P185-F217 HydrophobicContact CB-CG 3.72Å; P185-F217 HydrophobicContact CG-CB 3.97Å; P185-F217 HydrophobicContact CG-CD1 3.77Å; P185-F217 HydrophobicContact CG-CD2 4.47Å; P185-F217 HydrophobicContact CG-CG 3.78Å; G190-F217 CarbonylContact C-O 3.52Å; G190-F217 WeakPolarHBondContact CA-O 3.5Å; S191-F217 PolarHBondContact N-O 2.85Å; S191-F217 PolarHBondContact O-N 2.87Å; L215-F217 HydrophobicContact CB-CE2 3.77Å; L215-F217 HydrophobicContact CB-CZ 4.03Å; L215-F217 HydrophobicContact CD1-CZ 4.48Å; F217-I260 HydrophobicContact CD2-CD1 4.14Å; F217-I260 HydrophobicContact CE2-CD1 4.26Å
218	P	97	Very high	96.9	Very high	89 Å²	89	70.6 Å²	70.6	58%	0.578	36%	0.355	S	S	*	.			trans	-72.8	162.5	176.3	32.3	-35.5	0	0	0	110.8	N221	P218-N221 PolarHBondContact O-ND2 3.13Å
219	Q	95.4	Very high	96.8	Very high	54 Å²	54	72.5 Å²	72.5	25%	0.252	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	154	163.6	-167	-179.6	33.9	0	0	110	D188 N221	D188-Q219 PolarHBondContact O-NE2 2.99Å; Q219-N221 VanDerWaalsContact C-N 3.34Å
220	W	95.3	Very high	96.8	Very high	169 Å²	169	72.1 Å²	72.1	64%	0.64	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	33.3	-176.6	-39.1	111.3	0	0	0	113.7	W187	W187-W220 AromaticContact CE3-CE3 3.63Å; W187-W220 HydrophobicContact CE3-CE3 3.63Å; W187-W220 AromaticContact CE3-CZ3 3.74Å; W187-W220 HydrophobicContact CE3-CZ3 3.74Å; W187-W220 AromaticContact CH2-CZ3 3.9Å; W187-W220 HydrophobicContact CH2-CZ3 3.9Å; W187-W220 AromaticContact CZ3-CE3 3.54Å; W187-W220 HydrophobicContact CZ3-CE3 3.54Å; W187-W220 HydrophobicContact CZ3-CH2 4.48Å; W187-W220 AromaticContact CZ3-CZ3 3.24Å; W187-W220 HydrophobicContact CZ3-CZ3 3.24Å; W187-W220 VanDerWaalsContact O-CA 3.23Å; W187-W220 WeakPolarHBondContact O-CA 3.37Å; W187-W220 PolarHBondContact O-N 2.61Å
221	N	94.6	Very high	96.7	Very high	27 Å²	27	73 Å²	73	14%	0.144	37%	0.367	C	S	.	.			trans	-78.2	175.6	169	64	70.6	0	0	0	111.8	P185 R186 W187 P218 Q219 Q223	P185-N221 VanDerWaalsContact CG-OD1 3.32Å; P185-N221 WeakPolarHBondContact CG-OD1 3.32Å; R186-N221 PolarHBondContact O-ND2 2.81Å; R186-N221 PolarHBondContact O-OD1 2.99Å; W187-N221 WeakPolarHBondContact CB-O 3.24Å; P218-N221 PolarHBondContact O-ND2 3.13Å; Q219-N221 VanDerWaalsContact C-N 3.34Å; N221-Q223 VanDerWaalsContact C-N 3.26Å; N221-Q223 PolarHBondContact O-N 2.94Å; N221-Q223 WeakPolarHBondContact OD1-CA 3.29Å; N221-Q223 PolarHBondContact OD1-N 3.17Å
222	D	93.8	Very high	96.7	Very high	86 Å²	86	70.2 Å²	70.2	46%	0.46	35%	0.347	S	S	.	.			trans	-80.4	-0.3	-178.2	65.4	4.5	0	0	0	114.6	Q224	D222-Q224 HydrophobicContact CB-CG 4.03Å; D222-Q224 WeakPolarHBondContact O-CG 3.47Å; D222-Q224 PolarHBondContact O-N 2.97Å; D222-Q224 PolarHBondContact OD1-N 2.85Å; D222-Q224 VanDerWaalsContact OD1-N 3.15Å
223	Q	95.8	Very high	96.5	Very high	52 Å²	52	72.6 Å²	72.6	24%	0.243	35%	0.354	C	S	.	.			trans	51.1	21.2	-179.3	56.2	172.5	-5.7	0	0	115	V134 W187 N221 R261	V134-Q223 HydrophobicContact CG2-CB 4.32Å; V134-Q223 HydrophobicContact CG2-CG 3.71Å; W187-Q223 HydrophobicContact CB-CB 3.99Å; W187-Q223 HydrophobicContact CB-CG 4Å; W187-Q223 VanDerWaalsContact CD1-OE1 3.24Å; N221-Q223 VanDerWaalsContact C-N 3.26Å; N221-Q223 PolarHBondContact O-N 2.94Å; N221-Q223 WeakPolarHBondContact OD1-CA 3.29Å; N221-Q223 PolarHBondContact OD1-N 3.17Å; Q223-R261 PolarHBondContact O-NH2 3.43Å
224	Q	96.6	Very high	96.2	Very high	107 Å²	107	70.9 Å²	70.9	50%	0.5	35%	0.35	S	S	.	.			trans	-74.6	153.4	-175.1	-68.1	-170.5	20.5	0	0	111.8	A184 D222 H226	A184-Q224 WeakPolarHBondContact CB-O 3.21Å; D222-Q224 HydrophobicContact CB-CG 4.03Å; D222-Q224 WeakPolarHBondContact O-CG 3.47Å; D222-Q224 PolarHBondContact O-N 2.97Å; D222-Q224 PolarHBondContact OD1-N 2.85Å; D222-Q224 VanDerWaalsContact OD1-N 3.15Å; Q224-H226 PolarHBondContact O-CD2 2.89Å
225	W	98.1	Very high	96.2	Very high	24 Å²	24	67.8 Å²	67.8	9%	0.091	33%	0.333	C	S	.	.			trans	-73.5	126.6	169.3	-72	106.8	0	0	0	109.8	P132 V134 H136 N144 W182 A184 R261 T263	P132-W225 HydrophobicContact CB-CZ2 4.08Å; V134-W225 PolarHBondContact O-NE1 2.72Å; H136-W225 AromaticContact CD2-CD1 3.89Å; H136-W225 AromaticContact CD2-CD2 3.68Å; H136-W225 AromaticContact CD2-CG 3.64Å; N144-W225 HydrophobicContact CB-CH2 3.77Å; N144-W225 HydrophobicContact CB-CZ2 4.33Å; W182-W225 HydrophobicContact CB-CE3 4.25Å; W182-W225 HydrophobicContact CE3-CB 3.82Å; W182-W225 HydrophobicContact CZ3-CB 3.97Å; A184-W225 HydrophobicContact CB-CD2 3.63Å; A184-W225 HydrophobicContact CB-CE3 3.48Å; A184-W225 VanDerWaalsContact CB-CE3 3.48Å; A184-W225 HydrophobicContact CB-CG 4.19Å; A184-W225 HydrophobicContact CB-CH2 4.22Å; A184-W225 HydrophobicContact CB-CZ2 4.38Å; A184-W225 HydrophobicContact CB-CZ3 3.79Å; W225-R261 HydrophobicContact CH2-CB 3.9Å; W225-R261 HydrophobicContact CZ3-CB 4.35Å; W225-T263 HydrophobicContact CE3-CG2 4.31Å; W225-T263 HydrophobicContact CH2-CG2 3.73Å; W225-T263 HydrophobicContact CZ2-CG2 4.36Å; W225-T263 HydrophobicContact CZ3-CG2 3.7Å
226	H	97.5	Very high	96.1	Very high	59 Å²	59	66.3 Å²	66.3	27%	0.273	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	150	171.7	-58.5	-71.1	0	0	0	109.6	W182 Y183 Q224	W182-H226 WeakPolarHBondContact CA-O 3.39Å; Y183-H226 HydrophobicContact CD2-CB 4.17Å; Y183-H226 HydrophobicContact CE1-CB 4.08Å; Y183-H226 HydrophobicContact CE2-CB 3.52Å; Y183-H226 AromaticContact CE2-CD2 3.96Å; Y183-H226 VanDerWaalsContact CZ-CB 3.5Å; Y183-H226 PolarHBondContact N-O 3.23Å; Y183-H226 PolarHBondContact O-N 2.82Å; Q224-H226 PolarHBondContact O-CD2 2.89Å
227	Q	97.7	Very high	96.1	Very high	80 Å²	80	66.6 Å²	66.6	37%	0.374	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126	177.3	-165.1	-175.7	4.2	0	0	109.8	W182 E229	W182-Q227 HydrophobicContact CD2-CB 3.82Å; W182-Q227 HydrophobicContact CD2-CG 3.92Å; W182-Q227 HydrophobicContact CE3-CB 3.87Å; W182-Q227 HydrophobicContact CE3-CG 4.48Å; W182-Q227 HydrophobicContact CG-CG 4.29Å; W182-Q227 HydrophobicContact CH2-CB 3.9Å; W182-Q227 HydrophobicContact CH2-CG 4.47Å; W182-Q227 HydrophobicContact CZ2-CB 3.82Å; W182-Q227 HydrophobicContact CZ2-CG 3.88Å; W182-Q227 HydrophobicContact CZ3-CB 3.93Å; Q227-E229 HydrophobicContact CG-CG 4.09Å; Q227-E229 PolarHBondContact NE2-OE1 3.34Å
228	M	96.4	Very high	96.1	Very high	33 Å²	33	66 Å²	66	16%	0.163	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.8	163.8	-174	63.7	64.6	0	0	108.7	S180 D181 Y183 F210 L215	S180-M228 CarbonylContact C-O 3.56Å; S180-M228 WeakPolarHBondContact CA-O 3.45Å; S180-M228 WeakPolarHBondContact CB-O 3.36Å; D181-M228 PolarHBondContact N-O 2.61Å; D181-M228 PolarHBondContact O-N 3.13Å; Y183-M228 HydrophobicContact CE1-CB 4.01Å; Y183-M228 HydrophobicContact CE1-CE 4.46Å; F210-M228 HydrophobicContact CE1-CG 4.25Å; F210-M228 HydrophobicContact CZ-CG 4.3Å; F210-M228 HydrophobicContact CZ-SD 4.05Å; L215-M228 HydrophobicContact CD1-CE 3.83Å
229	E	97.3	Very high	96.2	Very high	101 Å²	101	61.8 Å²	61.8	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.5	169.5	-61.3	-163.3	142.8	0	0	110.4	I179 Q227	I179-E229 WeakPolarHBondContact O-CA 3.32Å; Q227-E229 HydrophobicContact CG-CG 4.09Å; Q227-E229 PolarHBondContact NE2-OE1 3.34Å
230	Y	97.3	Very high	96.3	Very high	85 Å²	85	61.4 Å²	61.4	33%	0.333	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153	171.7	-179.1	-96.3	0	0	0	110	R178 I179 F210 F232	R178-Y230 WeakPolarHBondContact CA-O 3.5Å; I179-Y230 HydrophobicContact CG1-CD1 4.39Å; I179-Y230 PolarHBondContact N-O 3.02Å; I179-Y230 PolarHBondContact O-N 2.97Å; F210-Y230 HydrophobicContact CB-CD1 3.73Å; F210-Y230 HydrophobicContact CB-CE1 3.74Å; F210-Y230 HydrophobicContact CB-CG 4.25Å; F210-Y230 HydrophobicContact CD1-CD1 4.26Å; F210-Y230 HydrophobicContact CD1-CG 4.12Å; F210-Y230 AromaticContact CD2-CD1 3.82Å; F210-Y230 HydrophobicContact CD2-CD1 3.82Å; F210-Y230 AromaticContact CD2-CD2 3.37Å; F210-Y230 HydrophobicContact CD2-CD2 3.37Å; F210-Y230 HydrophobicContact CD2-CE1 4.05Å; F210-Y230 AromaticContact CD2-CE2 3.62Å; F210-Y230 HydrophobicContact CD2-CE2 3.62Å; F210-Y230 AromaticContact CD2-CG 3.47Å; F210-Y230 HydrophobicContact CD2-CG 3.47Å; F210-Y230 VanDerWaalsContact CD2-CG 3.47Å; F210-Y230 AromaticContact CD2-CZ 3.95Å; F210-Y230 HydrophobicContact CE1-CG 4.33Å; F210-Y230 AromaticContact CE2-CD2 3.46Å; F210-Y230 HydrophobicContact CE2-CD2 3.46Å; F210-Y230 VanDerWaalsContact CE2-CD2 3.46Å; F210-Y230 HydrophobicContact CE2-CE2 4.05Å; F210-Y230 AromaticContact CE2-CG 3.73Å; F210-Y230 HydrophobicContact CE2-CG 3.73Å; F210-Y230 AromaticContact CG-CD1 3.66Å; F210-Y230 HydrophobicContact CG-CD1 3.66Å; F210-Y230 HydrophobicContact CG-CD2 4.07Å; F210-Y230 HydrophobicContact CG-CE1 4.05Å; F210-Y230 HydrophobicContact CG-CE2 4.41Å; F210-Y230 AromaticContact CG-CG 3.67Å; F210-Y230 HydrophobicContact CG-CG 3.67Å; F210-Y230 HydrophobicContact CZ-CD2 4.22Å; F210-Y230 HydrophobicContact CZ-CG 4.15Å; Y230-F232 AromaticContact CD1-CD2 3.97Å; Y230-F232 HydrophobicContact CD1-CD2 3.97Å; Y230-F232 HydrophobicContact CD1-CE1 4.42Å; Y230-F232 AromaticContact CD1-CE2 3.84Å; Y230-F232 HydrophobicContact CD1-CE2 3.84Å; Y230-F232 HydrophobicContact CD1-CG 4.32Å; Y230-F232 HydrophobicContact CD1-CZ 4.09Å; Y230-F232 AromaticContact CE1-CD1 3.68Å; Y230-F232 HydrophobicContact CE1-CD1 3.68Å; Y230-F232 AromaticContact CE1-CD2 3.9Å; Y230-F232 HydrophobicContact CE1-CD2 3.9Å; Y230-F232 AromaticContact CE1-CE1 3.67Å; Y230-F232 HydrophobicContact CE1-CE1 3.67Å; Y230-F232 AromaticContact CE1-CE2 3.89Å; Y230-F232 HydrophobicContact CE1-CE2 3.89Å; Y230-F232 AromaticContact CE1-CG 3.8Å; Y230-F232 HydrophobicContact CE1-CG 3.8Å; Y230-F232 AromaticContact CE1-CZ 3.78Å; Y230-F232 HydrophobicContact CE1-CZ 3.78Å
231	V	96.9	Very high	96.5	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.291	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116	179.6	-174.4	0	0	0	0	109.1	P176 I177 R178 K233	P176-V231 HydrophobicContact CB-CG1 3.65Å; I177-V231 WeakPolarHBondContact O-CA 3.36Å; R178-V231 HydrophobicContact CB-CG2 4.14Å; R178-V231 HydrophobicContact CG-CG2 4.01Å; V231-K233 HydrophobicContact CG1-CG 3.95Å
232	F	97.3	Very high	96.7	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.8	167.3	-64.2	-89	0	0	0	109.2	P176 I177 I179 V197 L199 Q208 F210 Y230 Y235	P176-F232 VanDerWaalsContact CA-O 3.3Å; P176-F232 WeakPolarHBondContact CA-O 2.99Å; I177-F232 HydrophobicContact CB-CB 4.27Å; I177-F232 HydrophobicContact CB-CD2 4.45Å; I177-F232 PolarHBondContact N-O 2.68Å; I177-F232 PolarHBondContact O-N 3.31Å; I179-F232 HydrophobicContact CG2-CD2 4.38Å; I179-F232 HydrophobicContact CG2-CE2 4.16Å; V197-F232 HydrophobicContact CB-CE2 4.28Å; V197-F232 HydrophobicContact CB-CZ 4.41Å; V197-F232 HydrophobicContact CG1-CE2 4.08Å; V197-F232 HydrophobicContact CG1-CZ 4.49Å; V197-F232 WeakPolarHBondContact O-CZ 3.18Å; L199-F232 HydrophobicContact CD1-CB 3.77Å; L199-F232 HydrophobicContact CD1-CD1 3.63Å; L199-F232 HydrophobicContact CD1-CD2 4.32Å; L199-F232 HydrophobicContact CD1-CE1 4.28Å; L199-F232 HydrophobicContact CD1-CG 3.66Å; L199-F232 HydrophobicContact CD2-CD2 4.08Å; L199-F232 HydrophobicContact CD2-CE2 4.25Å; L199-F232 HydrophobicContact CD2-CG 4.25Å; L199-F232 HydrophobicContact CG-CD1 3.87Å; L199-F232 HydrophobicContact CG-CD2 4.26Å; L199-F232 HydrophobicContact CG-CE1 4.03Å; L199-F232 HydrophobicContact CG-CE2 4.39Å; L199-F232 HydrophobicContact CG-CG 3.99Å; L199-F232 HydrophobicContact CG-CZ 4.28Å; Q208-F232 HydrophobicContact CB-CD1 4.23Å; Q208-F232 HydrophobicContact CB-CE1 4.11Å; F210-F232 HydrophobicContact CB-CE1 4.1Å; F210-F232 HydrophobicContact CB-CE2 4.24Å; F210-F232 HydrophobicContact CB-CZ 3.5Å; Y230-F232 AromaticContact CD1-CD2 3.97Å; Y230-F232 HydrophobicContact CD1-CD2 3.97Å; Y230-F232 HydrophobicContact CD1-CE1 4.42Å; Y230-F232 AromaticContact CD1-CE2 3.84Å; Y230-F232 HydrophobicContact CD1-CE2 3.84Å; Y230-F232 HydrophobicContact CD1-CG 4.32Å; Y230-F232 HydrophobicContact CD1-CZ 4.09Å; Y230-F232 AromaticContact CE1-CD1 3.68Å; Y230-F232 HydrophobicContact CE1-CD1 3.68Å; Y230-F232 AromaticContact CE1-CD2 3.9Å; Y230-F232 HydrophobicContact CE1-CD2 3.9Å; Y230-F232 AromaticContact CE1-CE1 3.67Å; Y230-F232 HydrophobicContact CE1-CE1 3.67Å; Y230-F232 AromaticContact CE1-CE2 3.89Å; Y230-F232 HydrophobicContact CE1-CE2 3.89Å; Y230-F232 AromaticContact CE1-CG 3.8Å; Y230-F232 HydrophobicContact CE1-CG 3.8Å; Y230-F232 AromaticContact CE1-CZ 3.78Å; Y230-F232 HydrophobicContact CE1-CZ 3.78Å; F232-Y235 HydrophobicContact CB-CD1 3.99Å
233	K	93.2	Very high	97	Very high	92 Å²	92	52.9 Å²	52.9	40%	0.4	26%	0.262	S	S	.	.			trans	-133.6	155	174.2	-62.8	-175.1	176.6	-174.1	0	108.5	P176 V231 Y235 S275	P176-K233 HydrophobicContact CB-CG 4.22Å; P176-K233 HydrophobicContact CG-CG 4.31Å; V231-K233 HydrophobicContact CG1-CG 3.95Å; K233-Y235 PolarHBondContact O-N 3.01Å; K233-Y235 VanDerWaalsContact O-N 3.1Å; K233-S275 PolarHBondContact NZ-OG 2.8Å
234	D	91.6	Very high	97.1	Very high	140 Å²	140	50.4 Å²	50.4	75%	0.749	25%	0.25	S	S	*	.	S	Bend	trans	50.1	42.3	173.1	-50.6	-49	0	0	0	112.2	G236	D234-G236 PolarHBondContact O-N 2.87Å
235	Y	95.3	Very high	97.2	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.039	23%	0.232	C	C	.	.			trans	-80	0.5	-169.1	44.5	-102.5	0	0	0	114.9	M170 Q174 P175 I177 L199 F232 K233 V239	M170-Y235 HydrophobicContact CE-CE2 4.15Å; M170-Y235 WeakPolarHBondContact CE-OH 3.4Å; Q174-Y235 VanDerWaalsContact CA-OH 3.25Å; Q174-Y235 WeakPolarHBondContact CA-OH 3.11Å; Q174-Y235 HydrophobicContact CB-CD2 4.4Å; Q174-Y235 HydrophobicContact CB-CE1 4.36Å; Q174-Y235 HydrophobicContact CB-CE2 3.85Å; Q174-Y235 HydrophobicContact CG-CD2 4.29Å; Q174-Y235 HydrophobicContact CG-CE2 3.9Å; P175-Y235 VanDerWaalsContact CD-OH 3.25Å; P175-Y235 WeakPolarHBondContact CD-OH 3.37Å; P175-Y235 VanDerWaalsContact N-OH 3.16Å; P175-Y235 VanDerWaalsContact O-CE1 3.25Å; P175-Y235 WeakPolarHBondContact O-CE1 3.1Å; P175-Y235 PolarHBondContact O-OH 3.05Å; I177-Y235 HydrophobicContact CD1-CE1 4.01Å; I177-Y235 HydrophobicContact CG1-CE1 3.86Å; L199-Y235 HydrophobicContact CD1-CD1 3.96Å; L199-Y235 HydrophobicContact CD1-CD2 4.28Å; L199-Y235 HydrophobicContact CD1-CG 3.7Å; F232-Y235 HydrophobicContact CB-CD1 3.99Å; K233-Y235 PolarHBondContact O-N 3.01Å; K233-Y235 VanDerWaalsContact O-N 3.1Å; Y235-V239 HydrophobicContact CD2-CB 4.25Å; Y235-V239 HydrophobicContact CD2-CG2 3.44Å; Y235-V239 VanDerWaalsContact CD2-CG2 3.44Å; Y235-V239 HydrophobicContact CE2-CB 4.2Å; Y235-V239 HydrophobicContact CE2-CG2 3.89Å; Y235-V239 HydrophobicContact CG-CG2 4.27Å
236	G	96.1	Very high	97.2	Very high	22 Å²	22	45.2 Å²	45.2	23%	0.227	23%	0.229	C	C	.	.			trans	76.9	169.1	-175.2	0	0	0	0	0	112.6	D234	D234-G236 PolarHBondContact O-N 2.87Å
237	P	97.4	Very high	97.3	Very high	88 Å²	88	42.4 Å²	42.4	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	162.4	175.5	32.6	-35.9	0	0	0	111.4	D171	D171-P237 HydrophobicContact CB-CB 3.85Å
238	G	98	Very high	97.3	Very high	20 Å²	20	38.6 Å²	38.6	21%	0.206	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.2	-16	170.3	0	0	0	0	0	114.6	D171 D201 R240	D171-G238 PolarHBondContact OD1-N 3.14Å; D201-G238 WeakPolarHBondContact CA-O 3.27Å; G238-R240 WeakPolarHBondContact O-CG 3.37Å; G238-R240 PolarHBondContact O-N 2.82Å
239	V	98.6	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.			trans	-62	122.9	-178	-178.9	0	0	0	0	111.1	L160 I177 L199 L207 Y235	L160-V239 HydrophobicContact CD1-CG1 3.8Å; I177-V239 HydrophobicContact CD1-CG1 4.47Å; L199-V239 HydrophobicContact CB-CG1 4.11Å; L199-V239 HydrophobicContact CB-CG2 4.01Å; L199-V239 HydrophobicContact CD1-CG2 4.15Å; L199-V239 HydrophobicContact CD2-CG1 4.4Å; L207-V239 HydrophobicContact CD1-CB 4.44Å; L207-V239 HydrophobicContact CD1-CG2 3.78Å; Y235-V239 HydrophobicContact CD2-CB 4.25Å; Y235-V239 HydrophobicContact CD2-CG2 3.44Å; Y235-V239 VanDerWaalsContact CD2-CG2 3.44Å; Y235-V239 HydrophobicContact CE2-CB 4.2Å; Y235-V239 HydrophobicContact CE2-CG2 3.89Å; Y235-V239 HydrophobicContact CG-CG2 4.27Å
240	R	98.7	Very high	97.5	Very high	45 Å²	45	33.6 Å²	33.6	17%	0.17	17%	0.174	C	C	.	.			trans	-122.9	-29.5	176.7	-60.1	-56.3	170.9	-106.8	0.1	112.8	L160 D171 L200 H202 G238	L160-R240 WeakPolarHBondContact CB-O 3.32Å; L160-R240 WeakPolarHBondContact CG-O 3.1Å; L160-R240 PolarHBondContact N-O 3.32Å; D171-R240 IonicContact OD1-CZ 3.46Å; D171-R240 IonicContact OD1-NH1 2.75Å; D171-R240 PolarHBondContact OD1-NH1 2.79Å; D171-R240 IonicContact OD1-NH2 3.24Å; D171-R240 PolarHBondContact OD1-NH2 2.82Å; D171-R240 IonicContact OD2-CZ 3.66Å; D171-R240 IonicContact OD2-NH1 3.64Å; D171-R240 IonicContact OD2-NH2 2.77Å; D171-R240 PolarHBondContact OD2-NH2 3.09Å; L200-R240 PolarHBondContact O-N 3.23Å; H202-R240 HydrophobicContact CB-CG 3.98Å; G238-R240 WeakPolarHBondContact O-CG 3.37Å; G238-R240 PolarHBondContact O-N 2.82Å
241	Y	98.9	Very high	97.5	Very high	52 Å²	52	31.7 Å²	31.7	20%	0.204	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.5	179.8	-48.8	-89	0	0	0	112.5	V157 I158 D159 L200 D201 Q204	V157-Y241 HydrophobicContact CG1-CD1 4.12Å; V157-Y241 HydrophobicContact CG1-CG 4.32Å; I158-Y241 WeakPolarHBondContact O-CA 3.46Å; I158-Y241 WeakPolarHBondContact O-CB 3.43Å; D159-Y241 HydrophobicContact CB-CD1 3.97Å; D159-Y241 HydrophobicContact CB-CE1 3.84Å; L200-Y241 PolarHBondContact N-O 2.96Å; L200-Y241 PolarHBondContact O-N 2.89Å; L200-Y241 VanDerWaalsContact O-N 3.09Å; D201-Y241 WeakPolarHBondContact O-CD2 3.36Å; D201-Y241 WeakPolarHBondContact O-CE2 3.29Å; Q204-Y241 HydrophobicContact CG-CD2 4.23Å; Q204-Y241 HydrophobicContact CG-CE2 4.23Å
242	V	98.9	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.7	165.5	-176.2	0	0	0	0	107.7	V157 I158 L160 I177 V197 Q198 L199 V267	V157-V242 WeakPolarHBondContact CA-O 3.41Å; I158-V242 HydrophobicContact CB-CB 4.29Å; I158-V242 HydrophobicContact CD1-CB 4.35Å; I158-V242 PolarHBondContact N-O 3.42Å; I158-V242 PolarHBondContact O-N 2.96Å; L160-V242 HydrophobicContact CD1-CG2 4.3Å; L160-V242 HydrophobicContact CD2-CG2 4.12Å; L160-V242 HydrophobicContact CG-CG2 4.4Å; I177-V242 HydrophobicContact CD1-CG2 4.33Å; I177-V242 HydrophobicContact CG2-CG2 4.4Å; V197-V242 HydrophobicContact CG1-CG1 3.63Å; Q198-V242 CarbonylContact O-C 3.49Å; Q198-V242 WeakPolarHBondContact O-CA 3.33Å; L199-V242 HydrophobicContact CD2-CG1 4.35Å; L199-V242 HydrophobicContact CD2-CG2 3.86Å; V242-V267 HydrophobicContact CG1-CG1 4.14Å; V242-V267 HydrophobicContact CG1-CG2 4.37Å
243	R	98.9	Very high	97.2	Very high	51 Å²	51	40 Å²	40	19%	0.192	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.9	171.9	179.2	-175.1	-61.5	143	-2.7	108.4	V157 V197 Q198 L200	V157-R243 HydrophobicContact CG2-CB 4.24Å; V157-R243 HydrophobicContact CG2-CG 4.05Å; V197-R243 CarbonylContact C-O 3.57Å; V197-R243 VanDerWaalsContact CA-O 3.28Å; V197-R243 WeakPolarHBondContact CA-O 3.21Å; Q198-R243 HydrophobicContact CB-CB 4.35Å; Q198-R243 PolarHBondContact N-O 3.08Å; Q198-R243 PolarHBondContact O-N 3.25Å; L200-R243 HydrophobicContact CD1-CB 3.83Å; L200-R243 HydrophobicContact CG-CB 4.42Å
244	F	98.9	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118	176.9	-175.3	-77.1	0	0	0	109.1	I105 W117 E155 Q156 D181 I195 V197 H246 V267	I105-F244 HydrophobicContact CD1-CB 3.85Å; I105-F244 HydrophobicContact CD1-CD1 4.28Å; I105-F244 HydrophobicContact CD1-CD2 4.34Å; I105-F244 HydrophobicContact CD1-CG 3.92Å; W117-F244 AromaticContact CH2-CD1 3.82Å; W117-F244 HydrophobicContact CH2-CD1 3.82Å; W117-F244 AromaticContact CH2-CE1 3.98Å; W117-F244 HydrophobicContact CH2-CE1 3.98Å; W117-F244 AromaticContact CZ3-CD1 3.97Å; W117-F244 HydrophobicContact CZ3-CD1 3.97Å; W117-F244 HydrophobicContact CZ3-CE1 4.42Å; E155-F244 CarbonylContact C-O 3.57Å; E155-F244 WeakPolarHBondContact CA-O 3.48Å; Q156-F244 PolarHBondContact N-O 3.4Å; Q156-F244 PolarHBondContact O-N 3.48Å; D181-F244 HydrophobicContact CB-CZ 3.99Å; I195-F244 HydrophobicContact CD1-CE2 3.92Å; I195-F244 HydrophobicContact CD1-CZ 3.77Å; V197-F244 HydrophobicContact CG1-CD2 4.46Å; V197-F244 HydrophobicContact CG2-CD2 3.56Å; V197-F244 HydrophobicContact CG2-CE2 3.96Å; V197-F244 HydrophobicContact CG2-CG 4.24Å; F244-H246 HydrophobicContact CE1-CB 4.14Å; F244-H246 AromaticContact CE1-CG 3.82Å; F244-H246 AromaticContact CE1-ND1 3.78Å; F244-V267 HydrophobicContact CB-CG2 4.47Å; F244-V267 HydrophobicContact CD2-CG2 3.78Å; F244-V267 HydrophobicContact CG-CG2 4.48Å
245	T	98.9	Very high	97.4	Very high	20 Å²	20	37.8 Å²	37.8	12%	0.123	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.7	178.1	-54.6	0	0	0	0	109.8	L120 K154 I195 S196	L120-T245 HydrophobicContact CD1-CG2 3.8Å; K154-T245 WeakPolarHBondContact O-CA 3.45Å; I195-T245 CarbonylContact C-O 3.51Å; I195-T245 WeakPolarHBondContact CA-O 3.48Å; S196-T245 PolarHBondContact N-O 3.1Å; S196-T245 PolarHBondContact O-N 3.01Å; S196-T245 VanDerWaalsContact O-O 3.05Å
246	H	98.8	Very high	97.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	168.1	171.2	70.3	171.9	0	0	0	111.7	W117 R153 K154 D181 Q194 I195 F244 V262 S265	W117-H246 AromaticContact CH2-NE2 3.86Å; W117-H246 AromaticContact CZ3-NE2 3.99Å; R153-H246 WeakPolarHBondContact CA-O 3.27Å; K154-H246 WeakPolarHBondContact CE-NE2 3.44Å; K154-H246 PolarHBondContact N-O 3.04Å; K154-H246 PolarHBondContact NZ-NE2 2.97Å; K154-H246 PolarHBondContact O-N 2.84Å; K154-H246 VanDerWaalsContact O-N 3.14Å; D181-H246 IonicContact OD1-CE1 3.27Å; D181-H246 IonicContact OD1-ND1 3.58Å; D181-H246 PolarHBondContact OD1-ND1 2.65Å; D181-H246 IonicContact OD2-CE1 2.74Å; D181-H246 IonicContact OD2-CG 2.86Å; D181-H246 IonicContact OD2-ND1 3.49Å; D181-H246 PolarHBondContact OD2-ND1 3.17Å; Q194-H246 CarbonylContact O-C 3.54Å; Q194-H246 WeakPolarHBondContact O-CA 3.26Å; Q194-H246 WeakPolarHBondContact O-CB 3.4Å; I195-H246 HydrophobicContact CB-CB 4.32Å; I195-H246 HydrophobicContact CG1-CB 4.31Å; F244-H246 HydrophobicContact CE1-CB 4.14Å; F244-H246 AromaticContact CE1-CG 3.82Å; F244-H246 AromaticContact CE1-ND1 3.78Å; H246-V262 VanDerWaalsContact CE1-CG2 3.45Å; H246-V262 WeakPolarHBondContact CE1-CG2 3.38Å; H246-S265 PolarHBondContact CE1-OG 3.04Å
247	G	98.6	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-160.5	-179.1	0	0	0	0	0	113	C152 Q194	C152-G247 CarbonylContact O-C 3.57Å; C152-G247 WeakPolarHBondContact O-CA 3.4Å; Q194-G247 PolarHBondContact N-O 2.87Å; Q194-G247 PolarHBondContact O-N 2.91Å
248	G	98.6	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-170.5	-174.3	0	0	0	0	0	113.2	C152 I192	C152-G248 PolarHBondContact N-O 3.13Å; C152-G248 PolarHBondContact O-N 2.93Å; I192-G248 CarbonylContact O-C 3.52Å; I192-G248 WeakPolarHBondContact O-CA 3.36Å
249	K	98.6	Very high	97.6	Very high	30 Å²	30	38.4 Å²	38.4	13%	0.13	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	170.2	174.8	61.7	178	-161.3	78.6	0	110.4	S148 S150 W151 S191 I192	S148-K249 CarbonylContact O-C 3.47Å; S148-K249 WeakPolarHBondContact O-CA 3.39Å; S150-K249 WeakPolarHBondContact O-CB 3.08Å; W151-K249 HydrophobicContact CD2-CD 3.87Å; W151-K249 HydrophobicContact CD2-CG 4.15Å; W151-K249 HydrophobicContact CE3-CG 4.38Å; W151-K249 HydrophobicContact CG-CD 3.95Å; W151-K249 HydrophobicContact CZ2-CD 4.27Å; W151-K249 HydrophobicContact CZ2-CG 4.49Å; S191-K249 CarbonylContact C-O 3.55Å; S191-K249 WeakPolarHBondContact CA-O 3.49Å; I192-K249 HydrophobicContact CB-CG 4.47Å; I192-K249 PolarHBondContact N-O 3.02Å; I192-K249 PolarHBondContact O-N 3.16Å; I192-K249 VanDerWaalsContact O-N 3.13Å
250	D	97.7	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	173.4	166.5	88.1	8.6	0	0	0	112.8	S148 Y149 G190 Q252 F253 W254	S148-D250 PolarHBondContact O-N 2.68Å; Y149-D250 WeakPolarHBondContact CA-OD1 3.37Å; Y149-D250 WeakPolarHBondContact CB-OD1 3.3Å; Y149-D250 WeakPolarHBondContact CB-OD2 3.43Å; G190-D250 WeakPolarHBondContact O-CA 3.36Å; D250-Q252 PolarHBondContact OD1-N 2.84Å; D250-F253 WeakPolarHBondContact OD1-CA 3.15Å; D250-F253 PolarHBondContact OD1-N 3.3Å; D250-F253 PolarHBondContact OD2-N 3.42Å; D250-W254 PolarHBondContact OD2-N 2.94Å
251	T	97.2	Very high	97.6	Very high	44 Å²	44	36.2 Å²	36.2	27%	0.27	17%	0.174	S	C	.	.	S	Bend	trans	-110.9	-9.4	172.3	63.7	0	0	0	0	114.3	G190 I192	G190-T251 VanDerWaalsContact C-OG1 3.27Å; G190-T251 WeakPolarHBondContact CA-OG1 3.49Å; G190-T251 PolarHBondContact O-N 3.06Å; G190-T251 PolarHBondContact O-OG1 2.81Å; I192-T251 HydrophobicContact CD1-CG2 4.11Å; I192-T251 HydrophobicContact CG1-CG2 3.77Å
252	Q	93.9	Very high	97.6	Very high	83 Å²	83	33.8 Å²	33.8	39%	0.388	16%	0.164	S	C	.	.	S	Bend	trans	-101.2	-6.2	-175	-58.9	-57	-50.8	0	0	113.9	C189 D250 W254	C189-Q252 VanDerWaalsContact SG-CG 3.54Å; D250-Q252 PolarHBondContact OD1-N 2.84Å; Q252-W254 VanDerWaalsContact C-N 3.28Å; Q252-W254 HydrophobicContact CB-CD2 3.91Å; Q252-W254 HydrophobicContact CB-CG 3.94Å; Q252-W254 HydrophobicContact CB-CZ2 4.41Å; Q252-W254 VanDerWaalsContact O-CD1 3.31Å; Q252-W254 PolarHBondContact O-N 2.86Å
253	F	94.4	Very high	97.6	Very high	140 Å²	140	33.8 Å²	33.8	61%	0.614	16%	0.164	S	C	*	.			trans	58.6	36.9	-176.4	-65.1	-88.7	0	0	0	113.4	D250	D250-F253 WeakPolarHBondContact OD1-CA 3.15Å; D250-F253 PolarHBondContact OD1-N 3.3Å; D250-F253 PolarHBondContact OD2-N 3.42Å
254	W	93.3	Very high	97.5	Very high	108 Å²	108	32.8 Å²	32.8	41%	0.409	16%	0.161	S	C	.	.			trans	-87.8	126	-177.9	-73.2	-3.9	0	0	0	111.1	Y149 D188 C189 D250 Q252 G256 Y258	Y149-W254 WeakPolarHBondContact CB-O 3.35Å; Y149-W254 WeakPolarHBondContact CD1-O 3.31Å; D188-W254 WeakPolarHBondContact O-CZ3 3.31Å; C189-W254 HydrophobicContact CB-CE3 4.31Å; C189-W254 HydrophobicContact CB-CZ3 4.31Å; D250-W254 PolarHBondContact OD2-N 2.94Å; Q252-W254 VanDerWaalsContact C-N 3.28Å; Q252-W254 HydrophobicContact CB-CD2 3.91Å; Q252-W254 HydrophobicContact CB-CG 3.94Å; Q252-W254 HydrophobicContact CB-CZ2 4.41Å; Q252-W254 VanDerWaalsContact O-CD1 3.31Å; Q252-W254 PolarHBondContact O-N 2.86Å; W254-G256 PolarHBondContact O-N 2.94Å; W254-Y258 HydrophobicContact CB-CD2 3.83Å; W254-Y258 HydrophobicContact CB-CE2 4.27Å; W254-Y258 HydrophobicContact CB-CG 4.29Å; W254-Y258 HydrophobicContact CE3-CD1 4.11Å; W254-Y258 HydrophobicContact CE3-CE1 4.24Å; W254-Y258 HydrophobicContact CE3-CG 4.31Å
255	A	96.3	Very high	97.5	Very high	78 Å²	78	32.8 Å²	32.8	65%	0.645	16%	0.161	S	C	*	.	S	Bend	trans	-55.7	129.5	175.6	0	0	0	0	0	110.6	Y149 Y258	Y149-A255 HydrophobicContact CE1-CB 4.43Å; A255-Y258 WeakPolarHBondContact O-CE2 3.28Å
256	G	97.1	Very high	97.5	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	16%	0.159	C	C	.	.	S	Bend	trans	121.3	-154.3	-174.3	0	0	0	0	0	113.3	N125 S148 W254	N125-G256 PolarHBondContact OD1-N 2.86Å; S148-G256 WeakPolarHBondContact CA-O 3.13Å; S148-G256 WeakPolarHBondContact CB-O 3.34Å; S148-G256 PolarHBondContact OG-O 2.85Å; W254-G256 PolarHBondContact O-N 2.94Å
257	W	98.1	Very high	97.5	Very high	76 Å²	76	32.3 Å²	32.3	29%	0.288	16%	0.159	S	C	.	.	S	Bend	trans	-117	70.4	-174.8	-63.9	-83.8	0	0	0	110	N125 Q126 K128 V146 R186	N125-W257 HydrophobicContact CB-CH2 4.33Å; N125-W257 HydrophobicContact CB-CZ2 3.85Å; N125-W257 VanDerWaalsContact O-CZ2 3.27Å; N125-W257 WeakPolarHBondContact O-CZ2 2.93Å; N125-W257 PolarHBondContact O-NE1 3.48Å; Q126-W257 VanDerWaalsContact O-CD1 3.31Å; Q126-W257 PolarHBondContact O-NE1 3.39Å; K128-W257 VanDerWaalsContact CB-CD1 3.42Å; K128-W257 HydrophobicContact CB-CD2 3.9Å; K128-W257 VanDerWaalsContact CB-CE2 3.48Å; K128-W257 HydrophobicContact CB-CG 3.84Å; K128-W257 HydrophobicContact CB-CZ2 4.1Å; K128-W257 HydrophobicContact CD-CD2 3.44Å; K128-W257 VanDerWaalsContact CD-CD2 3.44Å; K128-W257 HydrophobicContact CD-CE3 3.63Å; K128-W257 HydrophobicContact CD-CG 3.92Å; K128-W257 HydrophobicContact CD-CH2 4.1Å; K128-W257 HydrophobicContact CD-CZ2 3.95Å; K128-W257 HydrophobicContact CD-CZ3 3.97Å; K128-W257 HydrophobicContact CG-CD2 4.32Å; V146-W257 HydrophobicContact CG1-CB 3.78Å; V146-W257 HydrophobicContact CG1-CG 4.01Å; V146-W257 HydrophobicContact CG2-CB 3.95Å; R186-W257 PolarHBondContact NH1-O 2.96Å
258	Y	97.3	Very high	97.4	Very high	66 Å²	66	33.6 Å²	33.6	26%	0.259	17%	0.165	S	C	.	.			trans	-103.7	4.2	-178.3	-68.4	-82	0	0	0	113.4	C189 W254 A255	C189-Y258 HydrophobicContact CB-CD1 4.04Å; C189-Y258 HydrophobicContact CB-CG 4.37Å; W254-Y258 HydrophobicContact CB-CD2 3.83Å; W254-Y258 HydrophobicContact CB-CE2 4.27Å; W254-Y258 HydrophobicContact CB-CG 4.29Å; W254-Y258 HydrophobicContact CE3-CD1 4.11Å; W254-Y258 HydrophobicContact CE3-CE1 4.24Å; W254-Y258 HydrophobicContact CE3-CG 4.31Å; A255-Y258 WeakPolarHBondContact O-CE2 3.28Å
259	G	98.1	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-83.7	-160.2	178.5	0	0	0	0	0	113.4	T147	T147-G259 PolarHBondContact O-N 2.64Å; T147-G259 VanDerWaalsContact OG1-CA 3.3Å; T147-G259 WeakPolarHBondContact OG1-CA 3.21Å
260	I	98.2	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.			trans	-72.8	143.8	-177.6	-162.2	76.5	0	0	0	111.3	T147 Y183 A184 P185 Y193 F217 V262	T147-I260 HydrophobicContact CG2-CG2 3.81Å; T147-I260 PolarHBondContact N-O 3.27Å; T147-I260 PolarHBondContact OG1-N 2.85Å; T147-I260 PolarHBondContact OG1-O 2.83Å; Y183-I260 HydrophobicContact CD2-CD1 4.27Å; A184-I260 WeakPolarHBondContact O-CD1 3.27Å; P185-I260 HydrophobicContact CB-CD1 4.37Å; Y193-I260 HydrophobicContact CD2-CG1 4.18Å; Y193-I260 HydrophobicContact CG-CG1 4.44Å; F217-I260 HydrophobicContact CD2-CD1 4.14Å; F217-I260 HydrophobicContact CE2-CD1 4.26Å; I260-V262 HydrophobicContact CG1-CG1 4.46Å; I260-V262 HydrophobicContact CG2-CG1 4.26Å
261	R	98.5	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136	169.4	-59.5	172.8	-68.7	153.8	-4.8	109.2	F145 V146 Y183 A184 P185 Q223 W225	F145-R261 CarbonylContact O-C 3.56Å; F145-R261 VanDerWaalsContact O-CA 3.27Å; F145-R261 WeakPolarHBondContact O-CA 3.33Å; V146-R261 HydrophobicContact CB-CG 4.14Å; V146-R261 HydrophobicContact CG2-CG 3.82Å; Y183-R261 CarbonylContact C-O 3.57Å; Y183-R261 WeakPolarHBondContact CA-O 3.44Å; A184-R261 VanDerWaalsContact CB-NH2 3.32Å; A184-R261 PolarHBondContact N-O 3.24Å; A184-R261 WeakPolarHBondContact O-CB 3.33Å; A184-R261 PolarHBondContact O-N 2.8Å; A184-R261 PolarHBondContact O-NE 3.28Å; P185-R261 PolarHBondContact O-NH2 2.95Å; Q223-R261 PolarHBondContact O-NH2 3.43Å; W225-R261 HydrophobicContact CH2-CB 3.9Å; W225-R261 HydrophobicContact CZ3-CB 4.35Å
262	V	98.7	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.5	178	-60.7	0	0	0	0	111.6	W127 F145 W182 Y193 H246 I260	W127-V262 HydrophobicContact CH2-CG2 3.95Å; W127-V262 HydrophobicContact CZ3-CG2 3.94Å; F145-V262 HydrophobicContact CB-CG2 3.92Å; F145-V262 HydrophobicContact CD2-CG2 4.48Å; F145-V262 PolarHBondContact N-O 3.21Å; F145-V262 PolarHBondContact O-N 2.95Å; W182-V262 CarbonylContact O-C 3.58Å; W182-V262 VanDerWaalsContact O-CA 3.26Å; W182-V262 WeakPolarHBondContact O-CA 3.43Å; Y193-V262 HydrophobicContact CD2-CG1 4.06Å; Y193-V262 HydrophobicContact CE2-CG1 3.96Å; H246-V262 VanDerWaalsContact CE1-CG2 3.45Å; H246-V262 WeakPolarHBondContact CE1-CG2 3.38Å; I260-V262 HydrophobicContact CG1-CG1 4.46Å; I260-V262 HydrophobicContact CG2-CG1 4.26Å
263	T	98.6	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	176.3	179.3	-161.9	0	0	0	0	110.8	P108 V141 K143 N144 W182 W225 S265	P108-T263 CarbonylContact O-C 3.55Å; V141-T263 HydrophobicContact CG1-CG2 3.67Å; K143-T263 PolarHBondContact O-OG1 3.47Å; N144-T263 HydrophobicContact CB-CG2 4.37Å; W182-T263 HydrophobicContact CB-CG2 4.25Å; W182-T263 WeakPolarHBondContact CB-O 3.33Å; W182-T263 PolarHBondContact N-O 3.41Å; W182-T263 VanDerWaalsContact N-O 3.14Å; W182-T263 PolarHBondContact O-N 3.4Å; W225-T263 HydrophobicContact CE3-CG2 4.31Å; W225-T263 HydrophobicContact CH2-CG2 3.73Å; W225-T263 HydrophobicContact CZ2-CG2 4.36Å; W225-T263 HydrophobicContact CZ3-CG2 3.7Å; T263-S265 PolarHBondContact O-N 2.94Å
264	E	98	Very high	90.3	Very high	30 Å²	30	25.1 Å²	25.1	14%	0.14	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.7	38.2	175.6	-156.2	-179.3	-146.9	0	0	114.5	P108 R109 H136 N138 V141 W182	P108-E264 PolarHBondContact O-N 3.42Å; R109-E264 HydrophobicContact CG-CB 4.46Å; R109-E264 IonicContact CZ-OE1 3.24Å; R109-E264 IonicContact NE-OE1 2.71Å; R109-E264 IonicContact NH2-OE1 3.43Å; R109-E264 PolarHBondContact NH2-OE1 3.36Å; H136-E264 IonicContact CE1-OE2 2.79Å; H136-E264 PolarHBondContact CE1-OE2 2.97Å; H136-E264 IonicContact ND1-OE2 3.71Å; H136-E264 IonicContact NE2-OE2 3.64Å; N138-E264 PolarHBondContact ND2-OE1 2.72Å; V141-E264 HydrophobicContact CG2-CB 4.17Å; V141-E264 HydrophobicContact CG2-CG 4.41Å; W182-E264 HydrophobicContact CG-CB 4.36Å; W182-E264 PolarHBondContact NE1-OE2 3.42Å; W182-E264 VanDerWaalsContact NE1-OE2 3.16Å
265	S	98.7	Very high	87.8	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.3	174.8	-47	0	0	0	0	110.8	N103 P108 D181 H246 T263	N103-S265 PolarHBondContact ND2-O 3.24Å; P108-S265 WeakPolarHBondContact CB-O 3.46Å; D181-S265 WeakPolarHBondContact OD1-CA 3.43Å; D181-S265 VanDerWaalsContact OD1-CB 3.23Å; D181-S265 WeakPolarHBondContact OD1-CB 3.07Å; D181-S265 PolarHBondContact OD1-OG 2.93Å; H246-S265 PolarHBondContact CE1-OG 3.04Å; T263-S265 PolarHBondContact O-N 2.94Å
266	C	98.6	Very high	87.4	Confident	12 Å²	12	21 Å²	21	8%	0.081	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.8	-174.6	-163.6	0	0	0	0	112.9	N103 I179 S180	N103-C266 VanDerWaalsContact OD1-CA 3.32Å; N103-C266 WeakPolarHBondContact OD1-CA 3.2Å; N103-C266 PolarHBondContact OD1-SG 3.28Å; I179-C266 VanDerWaalsContact CA-O 3.32Å; I179-C266 WeakPolarHBondContact CA-O 3.34Å; S180-C266 PolarHBondContact N-O 2.79Å; S180-C266 PolarHBondContact O-N 3.28Å; S180-C266 VanDerWaalsContact OG-CB 3.24Å; S180-C266 WeakPolarHBondContact OG-CB 3.32Å
267	V	98.6	Very high	86.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.7	163.7	175.6	0	0	0	0	107.4	N103 L104 I105 I158 I177 R178 I179 V242 F244	N103-V267 PolarHBondContact OD1-N 3.4Å; N103-V267 VanDerWaalsContact OD1-N 3.13Å; L104-V267 HydrophobicContact CB-CB 4.46Å; L104-V267 WeakPolarHBondContact CB-O 3.07Å; L104-V267 WeakPolarHBondContact CG-O 3.16Å; L104-V267 PolarHBondContact N-O 3.44Å; I105-V267 HydrophobicContact CD1-CG2 3.91Å; I105-V267 HydrophobicContact CG1-CB 4.14Å; I105-V267 HydrophobicContact CG1-CG2 3.82Å; I158-V267 HydrophobicContact CD1-CB 3.61Å; I158-V267 HydrophobicContact CD1-CG1 3.77Å; I158-V267 HydrophobicContact CD1-CG2 3.76Å; I177-V267 HydrophobicContact CG2-CG1 3.99Å; R178-V267 WeakPolarHBondContact O-CA 3.26Å; I179-V267 HydrophobicContact CG2-CG2 4.28Å; V242-V267 HydrophobicContact CG1-CG1 4.14Å; V242-V267 HydrophobicContact CG1-CG2 4.37Å; F244-V267 HydrophobicContact CB-CG2 4.47Å; F244-V267 HydrophobicContact CD2-CG2 3.78Å; F244-V267 HydrophobicContact CG-CG2 4.48Å
268	E	97.1	Very high	86.2	Confident	27 Å²	27	18.4 Å²	18.4	13%	0.126	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.1	-179.5	-78.5	179.1	-172	0	0	111	R101 I177 R178 C270	R101-E268 IonicContact CZ-OE2 2.72Å; R101-E268 IonicContact NE-OE2 3.85Å; R101-E268 PolarHBondContact NE-OE2 3.45Å; R101-E268 IonicContact NH2-OE2 3.34Å; R101-E268 PolarHBondContact NH2-OE2 2.74Å; I177-E268 CarbonylContact C-O 3.59Å; I177-E268 WeakPolarHBondContact CA-O 3.23Å; R178-E268 IonicContact CZ-OE2 3.13Å; R178-E268 PolarHBondContact N-O 2.84Å; R178-E268 IonicContact NE-OE2 3.99Å; R178-E268 IonicContact NH2-OE1 3.68Å; R178-E268 IonicContact NH2-OE2 3.61Å; R178-E268 PolarHBondContact NH2-OE2 2.77Å; R178-E268 PolarHBondContact O-N 3.44Å; E268-C270 PolarHBondContact O-N 2.78Å
269	I	95.4	Very high	85.6	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.4	164.1	-51.1	-58	0	0	0	107.4	L97 L104 L160 Y165 P175 I177	L97-I269 HydrophobicContact CD2-CG2 4.02Å; L104-I269 HydrophobicContact CD1-CD1 4.46Å; L104-I269 HydrophobicContact CD1-CG1 3.98Å; L160-I269 HydrophobicContact CD2-CD1 3.96Å; L160-I269 HydrophobicContact CD2-CG1 4.44Å; Y165-I269 HydrophobicContact CD1-CB 4.3Å; Y165-I269 HydrophobicContact CD1-CG1 4.16Å; Y165-I269 HydrophobicContact CD1-CG2 4.08Å; Y165-I269 HydrophobicContact CD2-CG1 4.05Å; Y165-I269 HydrophobicContact CE1-CB 3.61Å; Y165-I269 HydrophobicContact CE1-CG1 3.77Å; Y165-I269 HydrophobicContact CE1-CG2 3.71Å; Y165-I269 HydrophobicContact CE2-CB 4.32Å; Y165-I269 HydrophobicContact CE2-CG1 3.67Å; Y165-I269 HydrophobicContact CG-CG1 4.28Å; P175-I269 HydrophobicContact CB-CG2 3.71Å; P175-I269 HydrophobicContact CG-CG2 3.44Å; P175-I269 VanDerWaalsContact CG-CG2 3.44Å; I177-I269 HydrophobicContact CB-CD1 4.32Å; I177-I269 HydrophobicContact CD1-CD1 3.99Å; I177-I269 HydrophobicContact CG1-CD1 3.66Å; I177-I269 HydrophobicContact CG2-CD1 4.08Å
270	C	87.8	Confident	84.8	Confident	8 Å²	8	16.6 Å²	16.6	5%	0.054	11%	0.105	C	C	.	.			trans	-87	145.7	-175.3	-67	0	0	0	0	110.9	P176 R178 E268 A272	P176-C270 HydrophobicContact CB-CB 4.45Å; P176-C270 PolarHBondContact O-N 2.79Å; R178-C270 VanDerWaalsContact CB-SG 3.54Å; E268-C270 PolarHBondContact O-N 2.78Å; C270-A272 PolarHBondContact O-N 3.4Å
271	P	78.9	Confident	83.9	Confident	2 Å²	2	17.7 Å²	17.7	1%	0.013	11%	0.112	C	C	.	.			trans	-56	136.7	154.7	24.9	-28.9	0	0	0	107.7	F94 L97 L273 D274	F94-P271 HydrophobicContact CD2-CB 3.42Å; F94-P271 VanDerWaalsContact CD2-CB 3.42Å; F94-P271 HydrophobicContact CD2-CG 4.23Å; F94-P271 HydrophobicContact CE2-CB 3.63Å; F94-P271 HydrophobicContact CE2-CG 3.94Å; L97-P271 HydrophobicContact CB-CB 4.1Å; P271-L273 PolarHBondContact O-N 3.03Å; P271-D274 WeakPolarHBondContact CG-OD2 3.44Å; P271-D274 PolarHBondContact O-N 3.15Å
272	A	65.3	Low	82.9	Confident	49 Å²	49	19 Å²	19	41%	0.405	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	5.6	-177.5	0	0	0	0	0	115.7	P176 C270	P176-A272 HydrophobicContact CG-CB 4.18Å; C270-A272 PolarHBondContact O-N 3.4Å
273	L	56.3	Low	81.7	Confident	18 Å²	18	20.5 Å²	20.5	9%	0.094	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-2.5	-162.6	-76.9	154.1	0	0	0	113.8	L80 R85 P87 F94 P271	L80-L273 HydrophobicContact CD1-CD2 4.4Å; L80-L273 HydrophobicContact CD2-CB 3.72Å; L80-L273 HydrophobicContact CD2-CD1 3.9Å; L80-L273 HydrophobicContact CD2-CD2 3.83Å; L80-L273 HydrophobicContact CD2-CG 4.02Å; R85-L273 WeakPolarHBondContact O-CD2 3.22Å; P87-L273 HydrophobicContact CG-CD2 4.47Å; F94-L273 HydrophobicContact CB-CD1 3.77Å; F94-L273 HydrophobicContact CD2-CB 4.02Å; F94-L273 HydrophobicContact CD2-CD1 3.14Å; F94-L273 HydrophobicContact CD2-CG 4.15Å; F94-L273 HydrophobicContact CE2-CB 3.91Å; F94-L273 HydrophobicContact CE2-CD1 3.84Å; F94-L273 HydrophobicContact CE2-CG 4.49Å; F94-L273 HydrophobicContact CG-CD1 3.61Å; P271-L273 PolarHBondContact O-N 3.03Å
274	D	47.7	Very low	80.3	Confident	43 Å²	43	22.2 Å²	22.2	23%	0.23	14%	0.14	C	C	.	.			trans	-101.8	-6.9	-175.7	-78.7	-14.9	0	0	0	115.2	R101 P271	R101-D274 IonicContact CZ-OD2 3.45Å; R101-D274 IonicContact NH1-OD2 3.29Å; R101-D274 PolarHBondContact NH1-OD2 3.14Å; R101-D274 IonicContact NH2-OD2 3.59Å; P271-D274 WeakPolarHBondContact CG-OD2 3.44Å; P271-D274 PolarHBondContact O-N 3.15Å
275	S	40.8	Very low	78.6	Confident	77 Å²	77	21.5 Å²	21.5	54%	0.538	14%	0.14	S	C	.	.			trans	-90.4	0	172.7	63.8	0	0	0	0	110.6	R85 K233	R85-S275 WeakPolarHBondContact CD-O 3.47Å; R85-S275 PolarHBondContact NH1-O 2.75Å; R85-S275 PolarHBondContact NH1-OXT 3.39Å; K233-S275 PolarHBondContact NZ-OG 2.8Å

Retrieved 275 of 275 residues in 83.9 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).