A0A093I301_STRCA Loading...

Glutathione peroxidase

AlphaFold DB , UniProt , Accession A0A093I301, Species STRCA (Struthio camelus australis), Gene n/a, Length 210 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	51.1	Low	232 Å²	232	159.2 Å²	159.2	100%	1.143	86%	0.855	S	S	*	*				0	101.9	0	-173.1	159	172.1	0	0	106.9
2	L	41.1	Very low	51.3	Low	167 Å²	167	154.1 Å²	154.1	87%	0.874	85%	0.851	S	S	*	*			trans	47.6	116.7	154.6	-63.5	156.6	0	0	0	120.1
3	D	53.7	Low	51.5	Low	155 Å²	155	150.5 Å²	150.5	83%	0.829	84%	0.843	S	S	*	*			trans	-49.7	-171.7	156.5	-69.8	-43.1	0	0	0	114.2
4	P	75	Confident	51.9	Low	110 Å²	110	146.5 Å²	146.5	71%	0.714	83%	0.83	S	S	*	*			cis	-139.7	166.7	-47.2	35.5	-19.7	0	0	0	112.1
5	E	47	Very low	52.5	Low	202 Å²	202	143.4 Å²	143.4	94%	0.944	82%	0.822	S	S	*	*			trans	-151.5	128.2	152	-72.3	-162.8	153	0	0	107.6
6	G	48.1	Very low	52.8	Low	67 Å²	67	144.7 Å²	144.7	69%	0.691	82%	0.815	S	S	*	*			cis	107	58.6	38.3	0	0	0	0	0	109.3	V8	G6-V8 PolarHBondContact O-N 3.21Å
7	S	46.8	Very low	53	Low	125 Å²	125	140.1 Å²	140.1	87%	0.874	79%	0.792	S	S	*	*			trans	-75.3	104.7	179.4	57.8	0	0	0	0	110.9
8	V	54.8	Low	53.1	Low	121 Å²	121	141.7 Å²	141.7	73%	0.733	79%	0.789	S	S	*	*			trans	-85.6	118.9	174.4	178.1	0	0	0	0	109.7	G6 H10	G6-V8 PolarHBondContact O-N 3.21Å; V8-H10 PolarHBondContact O-N 3.4Å
9	E	53.2	Low	53.4	Low	187 Å²	187	140.1 Å²	140.1	87%	0.874	78%	0.783	S	S	*	*			trans	-66	118.8	166.7	-91.9	-173.2	149.3	0	0	110.7	K11	E9-K11 PolarHBondContact O-N 2.88Å; E9-K11 VanDerWaalsContact O-N 3.14Å
10	H	48.4	Very low	53.6	Low	184 Å²	184	140.9 Å²	140.9	85%	0.852	78%	0.778	S	S	*	*			trans	-78	92.7	167.9	-85.7	-74.1	0	0	0	110.5	V8 A12	V8-H10 PolarHBondContact O-N 3.4Å; H10-A12 PolarHBondContact O-N 2.88Å
11	K	52	Low	54	Low	201 Å²	201	139.2 Å²	139.2	87%	0.874	77%	0.768	S	S	*	*			trans	-74.1	102	164.8	-158.3	172.8	-170.4	173.2	0	108.5	E9 S13	E9-K11 PolarHBondContact O-N 2.88Å; E9-K11 VanDerWaalsContact O-N 3.14Å; K11-S13 PolarHBondContact O-N 3.19Å
12	A	53.2	Low	55.5	Low	98 Å²	98	133.3 Å²	133.3	81%	0.81	74%	0.74	S	S	*	*			trans	-62.1	96.5	173.3	0	0	0	0	0	109.8	H10 S14	H10-A12 PolarHBondContact O-N 2.88Å; A12-S14 PolarHBondContact O-N 3.01Å
13	S	54.7	Low	57.1	Low	107 Å²	107	128.7 Å²	128.7	75%	0.748	72%	0.72	S	S	*	*			trans	-76.3	94.6	169.4	179.1	0	0	0	0	107.8	K11 S15	K11-S13 PolarHBondContact O-N 3.19Å; S13-S15 PolarHBondContact O-N 3.14Å
14	S	56.4	Low	58.3	Low	95 Å²	95	126.1 Å²	126.1	66%	0.664	71%	0.705	S	S	*	*			trans	-71	83	167.1	57	0	0	0	0	108.7	A12 F16	A12-S14 PolarHBondContact O-N 3.01Å; S14-F16 PolarHBondContact O-N 2.88Å
15	S	60.5	Low	58.5	Low	100 Å²	100	123.6 Å²	123.6	70%	0.699	69%	0.694	S	S	*	*			trans	-69.8	87.2	169.1	-163.7	0	0	0	0	108	S13 P17	S13-S15 PolarHBondContact O-N 3.14Å; S15-P17 WeakPolarHBondContact O-CD 3.43Å
16	F	58.5	Low	60.2	Low	164 Å²	164	119.6 Å²	119.6	72%	0.719	68%	0.677	S	S	*	*			trans	-56.5	121.2	166	-89.4	-87.3	0	0	0	107.5	S14 K18	S14-F16 PolarHBondContact O-N 2.88Å; F16-K18 PolarHBondContact O-N 3.17Å
17	P	56.5	Low	62	Low	66 Å²	66	122.4 Å²	122.4	43%	0.429	68%	0.675	S	S	.	*			trans	-64	116.1	-173.7	-10.6	20.2	0	0	0	108.7	S15 V19 F20	S15-P17 WeakPolarHBondContact O-CD 3.43Å; P17-V19 HydrophobicContact CB-CB 4.48Å; P17-V19 PolarHBondContact O-N 3.17Å; P17-F20 HydrophobicContact CB-CD2 4.03Å; P17-F20 HydrophobicContact CB-CE2 4.49Å; P17-F20 HydrophobicContact CG-CD2 4.01Å; P17-F20 HydrophobicContact CG-CE2 4.26Å; P17-F20 PolarHBondContact O-N 3.34Å
18	K	54.7	Low	64	Low	170 Å²	170	121.8 Å²	121.8	74%	0.739	66%	0.661	S	S	*	*	H	α-helix	trans	-51.8	-20.2	174.5	-68.6	178.1	177.9	175.4	0	112.7	F16 F20 L21	F16-K18 PolarHBondContact O-N 3.17Å; K18-F20 VanDerWaalsContact C-N 3.26Å; K18-F20 PolarHBondContact O-N 2.98Å; K18-L21 PolarHBondContact O-N 2.9Å
19	V	58.8	Low	65.5	Low	111 Å²	111	119 Å²	119	67%	0.673	65%	0.651	S	S	*	*	H	α-helix	trans	-60	-29.4	175.6	-172.1	0	0	0	0	113	P17 P23	P17-V19 HydrophobicContact CB-CB 4.48Å; P17-V19 PolarHBondContact O-N 3.17Å; V19-P23 WeakPolarHBondContact O-CD 3.03Å
20	F	57.7	Low	67.1	Low	155 Å²	155	114.4 Å²	114.4	68%	0.68	63%	0.632	S	S	*	*	H	α-helix	trans	-87.2	-17.1	176.4	-73.5	-81.7	0	0	0	113.8	P17 K18	P17-F20 HydrophobicContact CB-CD2 4.03Å; P17-F20 HydrophobicContact CB-CE2 4.49Å; P17-F20 HydrophobicContact CG-CD2 4.01Å; P17-F20 HydrophobicContact CG-CE2 4.26Å; P17-F20 PolarHBondContact O-N 3.34Å; K18-F20 VanDerWaalsContact C-N 3.26Å; K18-F20 PolarHBondContact O-N 2.98Å
21	L	62.1	Low	68.9	Low	106 Å²	106	107.9 Å²	107.9	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-76	-33.7	179.3	-73.3	168.8	0	0	0	112.6	K18 A25	K18-L21 PolarHBondContact O-N 2.9Å; L21-A25 VanDerWaalsContact O-CB 3.29Å; L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 2.95Å
22	I	71.6	Confident	70.4	Confident	109 Å²	109	100.6 Å²	100.6	56%	0.559	59%	0.586	S	S	*	*	H	α-helix	trans	-65.8	-51.4	-179.6	-58.7	170.3	0	0	0	112.5	L24 A25 M26	I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.5Å; I22-A25 PolarHBondContact O-N 3.33Å; I22-M26 HydrophobicContact CG2-SD 4.31Å; I22-M26 WeakPolarHBondContact O-CG 3.45Å; I22-M26 PolarHBondContact O-N 2.95Å
23	P	74.6	Confident	71.7	Confident	70 Å²	70	101.8 Å²	101.8	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-33.3	178.6	24	-32.6	0	0	0	112.2	V19 M26 L27	V19-P23 WeakPolarHBondContact O-CD 3.03Å; P23-M26 PolarHBondContact O-N 3.29Å; P23-L27 WeakPolarHBondContact O-CB 3.36Å; P23-L27 PolarHBondContact O-N 3.4Å
24	L	79.8	Confident	73	Confident	100 Å²	100	102.1 Å²	102.1	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-67.5	-44.1	175.2	-175	64.6	0	0	0	112	I22 M26 L27 L28	I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.5Å; L24-M26 VanDerWaalsContact C-N 3.35Å; L24-L27 PolarHBondContact O-N 2.95Å; L24-L28 HydrophobicContact CG-CD1 4.37Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.4Å
25	A	79.8	Confident	74	Confident	57 Å²	57	103.2 Å²	103.2	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-39.1	175.5	0	0	0	0	0	112.1	L21 I22 L28 A29	L21-A25 VanDerWaalsContact O-CB 3.29Å; L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 2.95Å; I22-A25 PolarHBondContact O-N 3.33Å; A25-L28 PolarHBondContact O-N 3.32Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.91Å
26	M	82.5	Confident	74.5	Confident	119 Å²	119	104.1 Å²	104.1	59%	0.586	57%	0.566	S	S	*	*	H	α-helix	trans	-64.2	-42.1	173.3	-75.7	-179.2	67.2	0	0	112	I22 P23 L24 L28 A29 I30	I22-M26 HydrophobicContact CG2-SD 4.31Å; I22-M26 WeakPolarHBondContact O-CG 3.45Å; I22-M26 PolarHBondContact O-N 2.95Å; P23-M26 PolarHBondContact O-N 3.29Å; L24-M26 VanDerWaalsContact C-N 3.35Å; M26-L28 PolarHBondContact O-N 2.93Å; M26-A29 PolarHBondContact O-N 3.01Å; M26-I30 VanDerWaalsContact O-CG1 3.26Å; M26-I30 WeakPolarHBondContact O-CG1 3.33Å; M26-I30 PolarHBondContact O-N 3.47Å
27	L	85.9	Confident	75.1	Confident	125 Å²	125	98.8 Å²	98.8	65%	0.654	55%	0.552	S	S	*	*	H	α-helix	trans	-62.3	-43.1	177.5	-139.3	93.1	0	0	0	111.7	P23 L24 I30 A31	P23-L27 WeakPolarHBondContact O-CB 3.36Å; P23-L27 PolarHBondContact O-N 3.4Å; L24-L27 PolarHBondContact O-N 2.95Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-A31 WeakPolarHBondContact O-CB 3.26Å; L27-A31 PolarHBondContact O-N 2.92Å
28	L	88	Confident	75.7	Confident	113 Å²	113	102.9 Å²	102.9	59%	0.592	56%	0.563	S	S	*	*	H	α-helix	trans	-65.4	-39.7	177	-72	169.1	0	0	0	111.9	L24 A25 M26 A31 A32	L24-L28 HydrophobicContact CG-CD1 4.37Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.4Å; A25-L28 PolarHBondContact O-N 3.32Å; M26-L28 PolarHBondContact O-N 2.93Å; L28-A31 PolarHBondContact O-N 3.48Å; L28-A32 WeakPolarHBondContact O-CB 3.41Å; L28-A32 PolarHBondContact O-N 2.97Å
29	A	86.1	Confident	76	Confident	62 Å²	62	99 Å²	99	51%	0.512	56%	0.557	S	S	.	*	H	α-helix	trans	-65.5	-40.9	175.7	0	0	0	0	0	112.1	A25 M26 A32 L33	A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.91Å; M26-A29 PolarHBondContact O-N 3.01Å; A29-A32 PolarHBondContact O-N 3.43Å; A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 PolarHBondContact O-N 2.85Å
30	I	87.9	Confident	76.2	Confident	91 Å²	91	97.8 Å²	97.8	47%	0.467	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-44.9	175.1	-67.6	165	0	0	0	110.5	M26 L27 A32 L33 L34	M26-I30 VanDerWaalsContact O-CG1 3.26Å; M26-I30 WeakPolarHBondContact O-CG1 3.33Å; M26-I30 PolarHBondContact O-N 3.47Å; L27-I30 PolarHBondContact O-N 3.47Å; I30-A32 PolarHBondContact O-N 2.9Å; I30-L33 PolarHBondContact O-N 3.47Å; I30-L34 HydrophobicContact CG2-CD1 3.86Å; I30-L34 HydrophobicContact CG2-CG 4.32Å; I30-L34 WeakPolarHBondContact O-CB 3.35Å; I30-L34 VanDerWaalsContact O-CG 3.28Å; I30-L34 WeakPolarHBondContact O-CG 3.32Å; I30-L34 PolarHBondContact O-N 3.24Å
31	A	85.8	Confident	76.2	Confident	46 Å²	46	95.1 Å²	95.1	38%	0.38	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-42.1	177.1	0	0	0	0	0	112.1	L27 L28 L34 L35	L27-A31 WeakPolarHBondContact O-CB 3.26Å; L27-A31 PolarHBondContact O-N 2.92Å; L28-A31 PolarHBondContact O-N 3.48Å; A31-L34 PolarHBondContact O-N 3.41Å; A31-L35 WeakPolarHBondContact O-CB 3.41Å; A31-L35 WeakPolarHBondContact O-CD1 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.4Å
32	A	84	Confident	75.9	Confident	48 Å²	48	97.6 Å²	97.6	40%	0.397	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-40.8	174.5	0	0	0	0	0	112	L28 A29 I30 L35 L36	L28-A32 WeakPolarHBondContact O-CB 3.41Å; L28-A32 PolarHBondContact O-N 2.97Å; A29-A32 PolarHBondContact O-N 3.43Å; I30-A32 PolarHBondContact O-N 2.9Å; A32-L35 PolarHBondContact O-N 2.94Å; A32-L36 WeakPolarHBondContact O-CB 3.26Å; A32-L36 VanDerWaalsContact O-CG 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.44Å; A32-L36 PolarHBondContact O-N 2.91Å
33	L	80.6	Confident	75.1	Confident	123 Å²	123	100.4 Å²	100.4	64%	0.644	58%	0.575	S	S	*	*	H	α-helix	trans	-66.5	-38.7	176.8	-163.1	72.6	0	0	0	111.9	A29 I30 L36 A37	A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 PolarHBondContact O-N 2.85Å; I30-L33 PolarHBondContact O-N 3.47Å; L33-L36 PolarHBondContact O-N 3.46Å; L33-A37 WeakPolarHBondContact O-CB 3.28Å; L33-A37 PolarHBondContact O-N 2.85Å
34	L	81	Confident	74.4	Confident	114 Å²	114	102.9 Å²	102.9	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-67.3	-39.8	174.1	-72.2	170.8	0	0	0	111.9	I30 A31 A37 F38	I30-L34 HydrophobicContact CG2-CD1 3.86Å; I30-L34 HydrophobicContact CG2-CG 4.32Å; I30-L34 WeakPolarHBondContact O-CB 3.35Å; I30-L34 VanDerWaalsContact O-CG 3.28Å; I30-L34 WeakPolarHBondContact O-CG 3.32Å; I30-L34 PolarHBondContact O-N 3.24Å; A31-L34 PolarHBondContact O-N 3.41Å; L34-A37 PolarHBondContact O-N 3.37Å; L34-F38 VanDerWaalsContact O-CB 3.28Å; L34-F38 WeakPolarHBondContact O-CB 3.34Å; L34-F38 PolarHBondContact O-N 2.91Å
35	L	77.8	Confident	74.3	Confident	118 Å²	118	104.7 Å²	104.7	62%	0.618	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-38.6	174.6	-79.9	162.3	0	0	0	112.6	A31 A32 S39	A31-L35 WeakPolarHBondContact O-CB 3.41Å; A31-L35 WeakPolarHBondContact O-CD1 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.4Å; A32-L35 PolarHBondContact O-N 2.94Å; L35-S39 PolarHBondContact O-N 3.13Å; L35-S39 VanDerWaalsContact O-N 3.07Å; L35-S39 PolarHBondContact O-OG 3.48Å
36	L	71.8	Confident	74.8	Confident	120 Å²	120	105.7 Å²	105.7	63%	0.628	59%	0.585	S	S	*	*	H	α-helix	trans	-67.7	-42.7	174.3	-73.5	167.3	0	0	0	111.5	A32 L33 S39 A40	A32-L36 WeakPolarHBondContact O-CB 3.26Å; A32-L36 VanDerWaalsContact O-CG 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.44Å; A32-L36 PolarHBondContact O-N 2.91Å; L33-L36 PolarHBondContact O-N 3.46Å; L36-S39 PolarHBondContact O-N 3.02Å; L36-A40 PolarHBondContact O-N 3.07Å; L36-A40 VanDerWaalsContact O-N 3.13Å
37	A	70.8	Confident	75.5	Confident	52 Å²	52	100.5 Å²	100.5	43%	0.43	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-40.5	175.1	0	0	0	0	0	112	L33 L34 A40 T41	L33-A37 WeakPolarHBondContact O-CB 3.28Å; L33-A37 PolarHBondContact O-N 2.85Å; L34-A37 PolarHBondContact O-N 3.37Å; A37-A40 PolarHBondContact O-N 3.22Å; A37-T41 PolarHBondContact O-N 3.2Å; A37-T41 PolarHBondContact O-OG1 3.23Å
38	F	67.9	Low	76.1	Confident	152 Å²	152	94.5 Å²	94.5	67%	0.667	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-39.1	178.8	-165.1	-101.2	0	0	0	112.4	L34 A40 T41	L34-F38 VanDerWaalsContact O-CB 3.28Å; L34-F38 WeakPolarHBondContact O-CB 3.34Å; L34-F38 PolarHBondContact O-N 2.91Å; F38-A40 VanDerWaalsContact C-N 3.31Å; F38-A40 PolarHBondContact O-N 2.94Å; F38-T41 WeakPolarHBondContact CA-OG1 3.46Å; F38-T41 PolarHBondContact O-N 3.42Å; F38-T41 PolarHBondContact O-OG1 3.48Å
39	S	62.6	Low	76.6	Confident	88 Å²	88	89.1 Å²	89.1	62%	0.615	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-35.5	172.6	-62.5	0	0	0	0	112.5	L35 L36 T41	L35-S39 PolarHBondContact O-N 3.13Å; L35-S39 VanDerWaalsContact O-N 3.07Å; L35-S39 PolarHBondContact O-OG 3.48Å; L36-S39 PolarHBondContact O-N 3.02Å; S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 3.28Å
40	A	61.8	Low	77.1	Confident	85 Å²	85	88.1 Å²	88.1	70%	0.702	49%	0.487	S	S	*	.	H	α-helix	trans	-73.3	-16	178.3	0	0	0	0	0	113.6	L36 A37 F38	L36-A40 PolarHBondContact O-N 3.07Å; L36-A40 VanDerWaalsContact O-N 3.13Å; A37-A40 PolarHBondContact O-N 3.22Å; F38-A40 VanDerWaalsContact C-N 3.31Å; F38-A40 PolarHBondContact O-N 2.94Å
41	T	57.6	Low	77.6	Confident	100 Å²	100	85.5 Å²	85.5	61%	0.613	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	10.6	180	51.6	0	0	0	0	114.8	A37 F38 S39 Q43	A37-T41 PolarHBondContact O-N 3.2Å; A37-T41 PolarHBondContact O-OG1 3.23Å; F38-T41 WeakPolarHBondContact CA-OG1 3.46Å; F38-T41 PolarHBondContact O-N 3.42Å; F38-T41 PolarHBondContact O-OG1 3.48Å; S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 3.28Å; T41-Q43 PolarHBondContact O-N 2.77Å
42	Q	56.4	Low	78.2	Confident	158 Å²	158	90.1 Å²	90.1	74%	0.738	48%	0.484	S	S	*	.			trans	-64.8	86.7	167.6	-85.9	-98.9	17	0	0	109.3	K44	Q42-K44 PolarHBondContact O-N 3.07Å; Q42-K44 VanDerWaalsContact O-N 3.07Å
43	Q	55.7	Low	78.9	Confident	168 Å²	168	88.2 Å²	88.2	79%	0.785	47%	0.468	S	S	*	.			trans	-64.8	109.1	171	-169.3	173.3	-18.5	0	0	106.7	T41 E45	T41-Q43 PolarHBondContact O-N 2.77Å; Q43-E45 PolarHBondContact O-N 2.78Å
44	K	59.7	Low	79.8	Confident	122 Å²	122	85.3 Å²	85.3	53%	0.53	46%	0.455	S	S	.	.			trans	-50.8	114.2	172.9	-172.4	178	-174.7	-175.4	0	106.8	Q42 T46 T50 E64	Q42-K44 PolarHBondContact O-N 3.07Å; Q42-K44 VanDerWaalsContact O-N 3.07Å; K44-T46 PolarHBondContact O-N 2.68Å; K44-T50 HydrophobicContact CD-CG2 4.24Å; K44-E64 VanDerWaalsContact NZ-CD 3.31Å; K44-E64 IonicContact NZ-OE1 2.82Å; K44-E64 PolarHBondContact NZ-OE1 3.22Å; K44-E64 IonicContact NZ-OE2 3.32Å; K44-E64 PolarHBondContact NZ-OE2 2.95Å
45	E	77.8	Confident	80.7	Confident	137 Å²	137	81.6 Å²	81.6	64%	0.64	44%	0.435	S	S	*	.			trans	-49.9	130.4	177.3	-84.9	-162.4	179	0	0	108.6	Q43 D47 K177	Q43-E45 PolarHBondContact O-N 2.78Å; E45-D47 PolarHBondContact O-N 3.3Å; E45-K177 IonicContact OE2-NZ 2.78Å; E45-K177 PolarHBondContact OE2-NZ 3.49Å
46	T	89.4	Confident	81.7	Confident	78 Å²	78	76.4 Å²	76.4	48%	0.479	41%	0.408	S	S	.	.			trans	-71.8	122.4	177.4	-55.7	0	0	0	0	108.1	K44 F51	K44-T46 PolarHBondContact O-N 2.68Å; T46-F51 HydrophobicContact CG2-CE1 4.44Å; T46-F51 HydrophobicContact CG2-CE2 4.44Å; T46-F51 HydrophobicContact CG2-CZ 3.84Å
47	D	97.1	Very high	82.9	Confident	10 Å²	10	79.3 Å²	79.3	5%	0.053	41%	0.411	C	S	.	.			trans	-135.9	169.6	175	73	56.1	0	0	0	110.2	E45 Y49 T50 R67	E45-D47 PolarHBondContact O-N 3.3Å; D47-Y49 PolarHBondContact O-N 2.82Å; D47-Y49 WeakPolarHBondContact OD1-CA 3.22Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.31Å; D47-Y49 PolarHBondContact OD1-N 2.82Å; D47-T50 WeakPolarHBondContact O-CB 3.38Å; D47-T50 PolarHBondContact O-N 3.32Å; D47-T50 PolarHBondContact O-OG1 2.79Å; D47-T50 PolarHBondContact OD1-N 2.96Å; D47-R67 IonicContact OD1-CZ 3.14Å; D47-R67 IonicContact OD1-NH1 2.75Å; D47-R67 IonicContact OD1-NH2 3.52Å; D47-R67 PolarHBondContact OD1-NH2 3.1Å; D47-R67 IonicContact OD2-CZ 3.39Å; D47-R67 VanDerWaalsContact OD2-CZ 3.22Å; D47-R67 IonicContact OD2-NH1 3.68Å; D47-R67 PolarHBondContact OD2-NH1 2.7Å; D47-R67 IonicContact OD2-NH2 3.57Å; D47-R67 PolarHBondContact OD2-NH2 3.48Å
48	F	98.5	Very high	84.2	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35.5	-175	179.5	-102.8	0	0	0	113.5	T50 F51 L63 V73 L105 A151 Y154 L155 V172 G176	F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.98Å; F48-F51 VanDerWaalsContact O-CD2 3.31Å; F48-F51 WeakPolarHBondContact O-CD2 3.31Å; F48-L63 HydrophobicContact CD1-CD1 4.31Å; F48-L63 HydrophobicContact CE1-CD1 3.75Å; F48-L63 HydrophobicContact CE2-CD1 4.1Å; F48-L63 HydrophobicContact CZ-CD1 3.62Å; F48-L63 WeakPolarHBondContact O-CD1 3.48Å; F48-V73 HydrophobicContact CD1-CG2 4.44Å; F48-V73 HydrophobicContact CE1-CG2 3.59Å; F48-V73 HydrophobicContact CE2-CG1 4.49Å; F48-V73 HydrophobicContact CE2-CG2 4Å; F48-V73 HydrophobicContact CZ-CB 4.35Å; F48-V73 HydrophobicContact CZ-CG1 4.12Å; F48-V73 HydrophobicContact CZ-CG2 3.33Å; F48-L105 HydrophobicContact CE1-CD1 3.79Å; F48-L105 HydrophobicContact CZ-CD1 4.31Å; F48-A151 HydrophobicContact CE2-CB 4.13Å; F48-Y154 HydrophobicContact CB-CD1 3.97Å; F48-Y154 HydrophobicContact CB-CE1 3.74Å; F48-Y154 HydrophobicContact CD2-CD1 4.36Å; F48-L155 HydrophobicContact CD2-CD1 4.35Å; F48-L155 HydrophobicContact CD2-CD2 3.56Å; F48-L155 HydrophobicContact CD2-CG 3.92Å; F48-L155 HydrophobicContact CE2-CD1 3.85Å; F48-L155 HydrophobicContact CE2-CD2 3.88Å; F48-L155 HydrophobicContact CE2-CG 3.92Å; F48-L155 HydrophobicContact CG-CD2 4.27Å; F48-V172 HydrophobicContact CB-CG1 3.89Å; F48-V172 HydrophobicContact CB-CG2 4.4Å; F48-V172 HydrophobicContact CD1-CB 4.33Å; F48-V172 HydrophobicContact CD1-CG1 3.91Å; F48-V172 HydrophobicContact CD1-CG2 3.96Å; F48-V172 HydrophobicContact CE1-CG2 4.41Å; F48-V172 HydrophobicContact CG-CG1 4.16Å; F48-V172 HydrophobicContact CG-CG2 4.05Å; F48-G176 VanDerWaalsContact CB-O 3.31Å; F48-G176 WeakPolarHBondContact CB-O 3.27Å; F48-G176 PolarHBondContact N-O 2.95Å
49	Y	98.4	Very high	85.7	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-78.4	-14.7	-177.2	-62	-41.9	0	0	0	113.1	D47 F51 L63 E64 R67 S69 S71 V172 D173 G176	D47-Y49 PolarHBondContact O-N 2.82Å; D47-Y49 WeakPolarHBondContact OD1-CA 3.22Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.31Å; D47-Y49 PolarHBondContact OD1-N 2.82Å; Y49-F51 PolarHBondContact O-N 2.82Å; Y49-L63 HydrophobicContact CD1-CB 4.4Å; Y49-L63 CarbonylContact O-C 3.24Å; Y49-L63 VanDerWaalsContact O-C 3.24Å; Y49-E64 VanDerWaalsContact O-CA 3.32Å; Y49-E64 WeakPolarHBondContact O-CA 3.44Å; Y49-E64 PolarHBondContact O-N 3.3Å; Y49-R67 HydrophobicContact CD2-CB 3.86Å; Y49-R67 HydrophobicContact CD2-CG 4.11Å; Y49-R67 HydrophobicContact CG-CB 4.31Å; Y49-S69 PolarHBondContact OH-O 2.95Å; Y49-S71 WeakPolarHBondContact CE1-OG 3.34Å; Y49-S71 WeakPolarHBondContact OH-CB 3.25Å; Y49-S71 PolarHBondContact OH-N 3.07Å; Y49-S71 PolarHBondContact OH-OG 2.85Å; Y49-V172 HydrophobicContact CE1-CG1 4.19Å; Y49-V172 HydrophobicContact CE2-CG1 4.24Å; Y49-D173 WeakPolarHBondContact CE2-O 3.42Å; Y49-D173 PolarHBondContact OH-O 2.87Å; Y49-D173 VanDerWaalsContact OH-O 3.14Å; Y49-G176 VanDerWaalsContact CD2-CA 3.42Å
50	T	97.8	Very high	87.4	Confident	40 Å²	40	79.9 Å²	79.9	25%	0.245	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-70.4	-18	175.6	67.3	0	0	0	0	113.9	K44 D47 F48	K44-T50 HydrophobicContact CD-CG2 4.24Å; D47-T50 WeakPolarHBondContact O-CB 3.38Å; D47-T50 PolarHBondContact O-N 3.32Å; D47-T50 PolarHBondContact O-OG1 2.79Å; D47-T50 PolarHBondContact OD1-N 2.96Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.98Å
51	F	98.4	Very high	89.1	Confident	36 Å²	36	76.9 Å²	76.9	16%	0.158	38%	0.384	C	S	.	.			trans	-74.6	154.3	-178.5	-62.8	-71.5	0	0	0	113.2	T46 F48 Y49 L63 P150 A151 Y154	T46-F51 HydrophobicContact CG2-CE1 4.44Å; T46-F51 HydrophobicContact CG2-CE2 4.44Å; T46-F51 HydrophobicContact CG2-CZ 3.84Å; F48-F51 VanDerWaalsContact O-CD2 3.31Å; F48-F51 WeakPolarHBondContact O-CD2 3.31Å; Y49-F51 PolarHBondContact O-N 2.82Å; F51-L63 HydrophobicContact CB-CD1 4.23Å; F51-L63 WeakPolarHBondContact O-CB 3.43Å; F51-L63 PolarHBondContact O-N 2.75Å; F51-P150 HydrophobicContact CD1-CB 3.91Å; F51-P150 HydrophobicContact CE1-CB 3.85Å; F51-A151 HydrophobicContact CB-CB 3.98Å; F51-A151 HydrophobicContact CD2-CB 4.1Å; F51-A151 HydrophobicContact CG-CB 4.05Å; F51-Y154 VanDerWaalsContact CE2-CB 3.44Å; F51-Y154 HydrophobicContact CE2-CD1 4.11Å; F51-Y154 HydrophobicContact CE2-CD2 4.07Å; F51-Y154 AromaticContact CE2-CG 3.61Å; F51-Y154 HydrophobicContact CE2-CG 3.61Å; F51-Y154 HydrophobicContact CZ-CD2 4.23Å; F51-Y154 HydrophobicContact CZ-CG 4.05Å
52	K	98.4	Very high	91.1	Very high	143 Å²	143	74.2 Å²	74.2	62%	0.622	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	142	168.2	-61.6	-178.2	-176.9	176	0	109.5	L60 V61	K52-L60 HydrophobicContact CB-CD1 3.92Å; K52-L60 HydrophobicContact CB-CG 4.21Å; K52-L60 HydrophobicContact CD-CD2 4.18Å; K52-L60 HydrophobicContact CD-CG 4.48Å; K52-V61 CarbonylContact C-O 3.52Å; K52-V61 VanDerWaalsContact CA-O 3.28Å; K52-V61 WeakPolarHBondContact CA-O 3.06Å
53	V	98.6	Very high	93.1	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158	-179	-64.6	0	0	0	0	109.8	V61 L63 F107 F138 I149 A151	V53-V61 HydrophobicContact CG2-CG2 4.04Å; V53-V61 PolarHBondContact N-O 3.23Å; V53-V61 WeakPolarHBondContact O-CG2 3.35Å; V53-V61 PolarHBondContact O-N 3.32Å; V53-L63 HydrophobicContact CG1-CD1 4.17Å; V53-L63 HydrophobicContact CG1-CG 4.4Å; V53-L63 HydrophobicContact CG2-CD1 4.5Å; V53-L63 HydrophobicContact CG2-CD2 3.58Å; V53-L63 HydrophobicContact CG2-CG 3.97Å; V53-F107 HydrophobicContact CB-CE1 4.22Å; V53-F107 HydrophobicContact CG1-CE1 3.99Å; V53-F107 HydrophobicContact CG1-CZ 4.29Å; V53-F107 HydrophobicContact CG2-CE1 4.41Å; V53-F107 HydrophobicContact CG2-CZ 4.47Å; V53-F138 HydrophobicContact CB-CD1 4.15Å; V53-F138 HydrophobicContact CG2-CD1 3.28Å; V53-F138 HydrophobicContact CG2-CE1 3.24Å; V53-F138 HydrophobicContact CG2-CG 4.19Å; V53-F138 HydrophobicContact CG2-CZ 4.13Å; V53-I149 HydrophobicContact CG1-CD1 4.1Å; V53-A151 HydrophobicContact CG1-CB 4.11Å
54	V	98.8	Very high	95.1	Very high	62 Å²	62	61.6 Å²	61.6	38%	0.376	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.7	175.7	-171.7	0	0	0	0	108.1	G58 K59 L60 F138 S139	V54-G58 VanDerWaalsContact CG1-CA 3.49Å; V54-K59 WeakPolarHBondContact CA-O 3.36Å; V54-L60 HydrophobicContact CG2-CD1 4.23Å; V54-F138 WeakPolarHBondContact O-CB 3.28Å; V54-S139 WeakPolarHBondContact CG1-OG 3.48Å; V54-S139 PolarHBondContact O-N 3.21Å
55	N	98.8	Very high	96.9	Very high	35 Å²	35	61.9 Å²	61.9	19%	0.187	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-69.2	171	175.7	75.2	7.9	0	0	0	111.2	R57 G58 K59 V61 F138 S139	N55-R57 PolarHBondContact O-N 3.38Å; N55-R57 WeakPolarHBondContact OD1-CA 3.01Å; N55-R57 PolarHBondContact OD1-N 2.86Å; N55-G58 PolarHBondContact O-N 3.4Å; N55-G58 PolarHBondContact OD1-N 2.94Å; N55-K59 PolarHBondContact N-O 3.42Å; N55-K59 PolarHBondContact OD1-N 2.83Å; N55-K59 PolarHBondContact OD1-O 3.31Å; N55-V61 HydrophobicContact CB-CG1 4.25Å; N55-V61 HydrophobicContact CB-CG2 4.08Å; N55-F138 HydrophobicContact CB-CD1 4.47Å; N55-S139 PolarHBondContact O-N 2.86Å; N55-S139 PolarHBondContact O-OG 2.84Å
56	I	98.7	Very high	97.9	Very high	9 Å²	9	56 Å²	56	5%	0.046	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.5	-177	-159.2	152.1	0	0	0	113.9	P108 N120 I123 E124 M137	I56-P108 HydrophobicContact CD1-CG 4.31Å; I56-N120 HydrophobicContact CG1-CB 3.9Å; I56-N120 WeakPolarHBondContact CG1-O 3.21Å; I56-N120 VanDerWaalsContact O-CB 3.29Å; I56-N120 WeakPolarHBondContact O-CB 3.35Å; I56-I123 HydrophobicContact CD1-CB 4.36Å; I56-I123 HydrophobicContact CD1-CG2 3.96Å; I56-E124 HydrophobicContact CD1-CB 3.76Å; I56-E124 HydrophobicContact CG1-CB 4.03Å; I56-E124 HydrophobicContact CG2-CB 4.18Å; I56-E124 HydrophobicContact CG2-CG 4.03Å; I56-M137 HydrophobicContact CB-CB 4.01Å; I56-M137 WeakPolarHBondContact CB-O 3.4Å; I56-M137 HydrophobicContact CD1-CB 3.67Å; I56-M137 HydrophobicContact CD1-CE 3.9Å; I56-M137 HydrophobicContact CD1-SD 4.12Å; I56-M137 HydrophobicContact CG1-CB 4.46Å; I56-M137 HydrophobicContact CG2-CB 4.08Å; I56-M137 PolarHBondContact N-O 3.37Å
57	R	98.3	Very high	98.2	Very high	182 Å²	182	56.1 Å²	56.1	69%	0.687	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	12.5	176.6	-59	-175.9	-176.3	173.3	2.7	113.6	N55 K59 E124	N55-R57 PolarHBondContact O-N 3.38Å; N55-R57 WeakPolarHBondContact OD1-CA 3.01Å; N55-R57 PolarHBondContact OD1-N 2.86Å; R57-K59 PolarHBondContact O-N 3.13Å; R57-E124 IonicContact CZ-OE1 3.36Å; R57-E124 IonicContact NE-OE1 2.99Å; R57-E124 PolarHBondContact NE-OE1 3.28Å; R57-E124 IonicContact NE-OE2 2.77Å; R57-E124 PolarHBondContact NE-OE2 2.85Å; R57-E124 IonicContact NH2-OE1 2.68Å; R57-E124 PolarHBondContact NH2-OE1 3.47Å; R57-E124 VanDerWaalsContact NH2-OE1 3.17Å
58	G	98.3	Very high	98.2	Very high	52 Å²	52	57.3 Å²	57.3	54%	0.536	29%	0.291	S	S	.	.	S	Bend	trans	81.3	7.8	175.9	0	0	0	0	0	115.3	V54 N55	V54-G58 VanDerWaalsContact CG1-CA 3.49Å; N55-G58 PolarHBondContact O-N 3.4Å; N55-G58 PolarHBondContact OD1-N 2.94Å
59	K	98.6	Very high	98.2	Very high	144 Å²	144	57.6 Å²	57.6	63%	0.626	29%	0.293	S	S	*	.			trans	-93.6	130.2	178.6	-174.7	178	180	176.8	0	111.1	V54 N55 R57 V61	V54-K59 WeakPolarHBondContact CA-O 3.36Å; N55-K59 PolarHBondContact N-O 3.42Å; N55-K59 PolarHBondContact OD1-N 2.83Å; N55-K59 PolarHBondContact OD1-O 3.31Å; R57-K59 PolarHBondContact O-N 3.13Å; K59-V61 HydrophobicContact CG-CG1 4.4Å; K59-V61 PolarHBondContact O-N 3.26Å
60	L	98.6	Very high	98.2	Very high	107 Å²	107	57.6 Å²	57.6	56%	0.56	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.3	168.6	-169.9	69.5	0	0	0	110	K52 V54	K52-L60 HydrophobicContact CB-CD1 3.92Å; K52-L60 HydrophobicContact CB-CG 4.21Å; K52-L60 HydrophobicContact CD-CD2 4.18Å; K52-L60 HydrophobicContact CD-CG 4.48Å; V54-L60 HydrophobicContact CG2-CD1 4.23Å
61	V	98.4	Very high	98.2	Very high	22 Å²	22	55.7 Å²	55.7	13%	0.133	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147	-179.9	-63.6	0	0	0	0	110.3	K52 V53 N55 K59 F138	K52-V61 CarbonylContact C-O 3.52Å; K52-V61 VanDerWaalsContact CA-O 3.28Å; K52-V61 WeakPolarHBondContact CA-O 3.06Å; V53-V61 HydrophobicContact CG2-CG2 4.04Å; V53-V61 PolarHBondContact N-O 3.23Å; V53-V61 WeakPolarHBondContact O-CG2 3.35Å; V53-V61 PolarHBondContact O-N 3.32Å; N55-V61 HydrophobicContact CB-CG1 4.25Å; N55-V61 HydrophobicContact CB-CG2 4.08Å; K59-V61 HydrophobicContact CG-CG1 4.4Å; K59-V61 PolarHBondContact O-N 3.26Å; V61-F138 HydrophobicContact CG2-CD1 4.44Å; V61-F138 HydrophobicContact CG2-CE1 3.94Å
62	S	98.4	Very high	98.3	Very high	45 Å²	45	54 Å²	54	32%	0.315	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.6	171.3	-168.8	0	0	0	0	110.3	E64 K65	S62-E64 VanDerWaalsContact OG-CB 3.26Å; S62-E64 WeakPolarHBondContact OG-CB 3.29Å; S62-E64 PolarHBondContact OG-N 3.49Å; S62-K65 WeakPolarHBondContact O-CG 3.38Å
63	L	98.6	Very high	98.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-75.1	-11.6	169.2	-65.2	-178	0	0	0	112.2	F48 Y49 F51 V53 K65 Y66 F138 A151	F48-L63 HydrophobicContact CD1-CD1 4.31Å; F48-L63 HydrophobicContact CE1-CD1 3.75Å; F48-L63 HydrophobicContact CE2-CD1 4.1Å; F48-L63 HydrophobicContact CZ-CD1 3.62Å; F48-L63 WeakPolarHBondContact O-CD1 3.48Å; Y49-L63 HydrophobicContact CD1-CB 4.4Å; Y49-L63 CarbonylContact O-C 3.24Å; Y49-L63 VanDerWaalsContact O-C 3.24Å; F51-L63 HydrophobicContact CB-CD1 4.23Å; F51-L63 WeakPolarHBondContact O-CB 3.43Å; F51-L63 PolarHBondContact O-N 2.75Å; V53-L63 HydrophobicContact CG1-CD1 4.17Å; V53-L63 HydrophobicContact CG1-CG 4.4Å; V53-L63 HydrophobicContact CG2-CD1 4.5Å; V53-L63 HydrophobicContact CG2-CD2 3.58Å; V53-L63 HydrophobicContact CG2-CG 3.97Å; L63-K65 PolarHBondContact O-N 3.48Å; L63-Y66 HydrophobicContact CB-CD2 4.3Å; L63-Y66 HydrophobicContact CD2-CD2 3.85Å; L63-Y66 HydrophobicContact CD2-CE2 3.68Å; L63-Y66 WeakPolarHBondContact O-CB 3.24Å; L63-Y66 WeakPolarHBondContact O-CD2 3.31Å; L63-Y66 PolarHBondContact O-N 3.02Å; L63-F138 HydrophobicContact CD2-CE1 4.06Å; L63-F138 HydrophobicContact CD2-CZ 3.82Å; L63-A151 HydrophobicContact CD1-CB 4.42Å
64	E	98	Very high	98.3	Very high	60 Å²	60	46.8 Å²	46.8	28%	0.28	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.7	-29	180	-166.2	73.7	177.5	0	0	112.5	K44 Y49 S62 Y66 R67	K44-E64 VanDerWaalsContact NZ-CD 3.31Å; K44-E64 IonicContact NZ-OE1 2.82Å; K44-E64 PolarHBondContact NZ-OE1 3.22Å; K44-E64 IonicContact NZ-OE2 3.32Å; K44-E64 PolarHBondContact NZ-OE2 2.95Å; Y49-E64 VanDerWaalsContact O-CA 3.32Å; Y49-E64 WeakPolarHBondContact O-CA 3.44Å; Y49-E64 PolarHBondContact O-N 3.3Å; S62-E64 VanDerWaalsContact OG-CB 3.26Å; S62-E64 WeakPolarHBondContact OG-CB 3.29Å; S62-E64 PolarHBondContact OG-N 3.49Å; E64-Y66 PolarHBondContact O-N 2.86Å; E64-Y66 VanDerWaalsContact O-N 3.12Å; E64-R67 WeakPolarHBondContact O-CB 3.48Å; E64-R67 PolarHBondContact O-N 2.97Å; E64-R67 IonicContact OE1-CZ 2.73Å; E64-R67 IonicContact OE1-NE 3.21Å; E64-R67 PolarHBondContact OE1-NE 3.07Å; E64-R67 IonicContact OE1-NH2 3.95Å; E64-R67 IonicContact OE2-CZ 3.8Å; E64-R67 IonicContact OE2-NE 2.81Å; E64-R67 PolarHBondContact OE2-NE 2.74Å; E64-R67 IonicContact OE2-NH2 2.79Å; E64-R67 PolarHBondContact OE2-NH2 3.01Å
65	K	97.1	Very high	98.3	Very high	129 Å²	129	43.8 Å²	43.8	56%	0.561	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-63.3	-14.1	176.2	70.9	-176.7	179.5	164.1	0	114.3	S62 L63	S62-K65 WeakPolarHBondContact O-CG 3.38Å; L63-K65 PolarHBondContact O-N 3.48Å
66	Y	97.9	Very high	98.3	Very high	14 Å²	14	42.1 Å²	42.1	6%	0.055	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-96.3	-6.8	175.7	-55.3	-66.5	0	0	0	112.6	L63 E64 S69 N103 L105 P136 F138	L63-Y66 HydrophobicContact CB-CD2 4.3Å; L63-Y66 HydrophobicContact CD2-CD2 3.85Å; L63-Y66 HydrophobicContact CD2-CE2 3.68Å; L63-Y66 WeakPolarHBondContact O-CB 3.24Å; L63-Y66 WeakPolarHBondContact O-CD2 3.31Å; L63-Y66 PolarHBondContact O-N 3.02Å; E64-Y66 PolarHBondContact O-N 2.86Å; E64-Y66 VanDerWaalsContact O-N 3.12Å; Y66-S69 PolarHBondContact O-N 2.95Å; Y66-S69 VanDerWaalsContact O-N 3.12Å; Y66-S69 PolarHBondContact O-OG 2.94Å; Y66-N103 HydrophobicContact CD1-CB 4.16Å; Y66-N103 HydrophobicContact CE1-CB 4.45Å; Y66-L105 HydrophobicContact CD1-CD2 4.01Å; Y66-L105 HydrophobicContact CD2-CD1 4.05Å; Y66-L105 HydrophobicContact CD2-CD2 4Å; Y66-L105 HydrophobicContact CE1-CD2 3.65Å; Y66-L105 HydrophobicContact CE2-CD1 4.33Å; Y66-L105 HydrophobicContact CE2-CD2 3.66Å; Y66-L105 HydrophobicContact CG-CD1 4.4Å; Y66-L105 HydrophobicContact CG-CD2 4.16Å; Y66-L105 VanDerWaalsContact CZ-CD2 3.44Å; Y66-P136 HydrophobicContact CE1-CB 4.5Å; Y66-P136 HydrophobicContact CE1-CG 3.77Å; Y66-P136 WeakPolarHBondContact OH-CB 3.5Å; Y66-P136 VanDerWaalsContact OH-CG 3.24Å; Y66-P136 WeakPolarHBondContact OH-CG 3.32Å; Y66-F138 HydrophobicContact CE2-CZ 4.02Å
67	R	97.6	Very high	98.3	Very high	79 Å²	79	41.7 Å²	41.7	30%	0.298	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	141.5	175.6	-171	179.8	-63.7	-77.1	-5.3	110.4	D47 Y49 E64 S69 N175	D47-R67 IonicContact OD1-CZ 3.14Å; D47-R67 IonicContact OD1-NH1 2.75Å; D47-R67 IonicContact OD1-NH2 3.52Å; D47-R67 PolarHBondContact OD1-NH2 3.1Å; D47-R67 IonicContact OD2-CZ 3.39Å; D47-R67 VanDerWaalsContact OD2-CZ 3.22Å; D47-R67 IonicContact OD2-NH1 3.68Å; D47-R67 PolarHBondContact OD2-NH1 2.7Å; D47-R67 IonicContact OD2-NH2 3.57Å; D47-R67 PolarHBondContact OD2-NH2 3.48Å; Y49-R67 HydrophobicContact CD2-CB 3.86Å; Y49-R67 HydrophobicContact CD2-CG 4.11Å; Y49-R67 HydrophobicContact CG-CB 4.31Å; E64-R67 WeakPolarHBondContact O-CB 3.48Å; E64-R67 PolarHBondContact O-N 2.97Å; E64-R67 IonicContact OE1-CZ 2.73Å; E64-R67 IonicContact OE1-NE 3.21Å; E64-R67 PolarHBondContact OE1-NE 3.07Å; E64-R67 IonicContact OE1-NH2 3.95Å; E64-R67 IonicContact OE2-CZ 3.8Å; E64-R67 IonicContact OE2-NE 2.81Å; E64-R67 PolarHBondContact OE2-NE 2.74Å; E64-R67 IonicContact OE2-NH2 2.79Å; E64-R67 PolarHBondContact OE2-NH2 3.01Å; R67-S69 VanDerWaalsContact C-N 3.28Å; R67-N175 PolarHBondContact NH1-O 2.71Å
68	G	96.6	Very high	98.3	Very high	36 Å²	36	33.8 Å²	33.8	37%	0.371	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-2.3	-173.4	0	0	0	0	0	114.2	P174	G68-P174 PolarHBondContact N-O 3.39Å
69	S	97.8	Very high	98.3	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	19%	0.185	C	C	.	.	S	Bend	trans	-120.7	156.5	171.3	74.2	0	0	0	0	110.9	Y49 Y66 R67 N103 P174	Y49-S69 PolarHBondContact OH-O 2.95Å; Y66-S69 PolarHBondContact O-N 2.95Å; Y66-S69 VanDerWaalsContact O-N 3.12Å; Y66-S69 PolarHBondContact O-OG 2.94Å; R67-S69 VanDerWaalsContact C-N 3.28Å; S69-N103 PolarHBondContact OG-ND2 3.34Å; S69-P174 WeakPolarHBondContact O-CA 3.41Å
70	V	98.6	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.3	170.2	175.7	0	0	0	0	108.6	H101 F102 N103 L171 V172 P174 I195 L198 V199 I202	V70-H101 PolarHBondContact N-O 3.43Å; V70-F102 HydrophobicContact CB-CD2 4.1Å; V70-F102 HydrophobicContact CG1-CD2 3.97Å; V70-F102 HydrophobicContact CG1-CE2 4.35Å; V70-F102 CarbonylContact O-C 3.58Å; V70-F102 VanDerWaalsContact O-CA 3.22Å; V70-F102 WeakPolarHBondContact O-CA 3.34Å; V70-F102 WeakPolarHBondContact O-CD2 3.45Å; V70-N103 PolarHBondContact O-N 3.18Å; V70-L171 HydrophobicContact CG1-CD1 3.37Å; V70-L171 HydrophobicContact CG1-CG 4.49Å; V70-V172 WeakPolarHBondContact CA-O 3.49Å; V70-P174 HydrophobicContact CG2-CG 4.17Å; V70-I195 HydrophobicContact CG1-CG2 4.31Å; V70-L198 HydrophobicContact CG1-CB 4.4Å; V70-L198 HydrophobicContact CG1-CD1 4.22Å; V70-L198 HydrophobicContact CG2-CB 3.51Å; V70-L198 HydrophobicContact CG2-CD1 4.33Å; V70-V199 HydrophobicContact CB-CG2 4.2Å; V70-V199 HydrophobicContact CG2-CG2 4.12Å; V70-I202 HydrophobicContact CG2-CD1 3.75Å
71	S	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.2	175.1	-61.6	0	0	0	0	111.4	Y49 N103 V172	Y49-S71 WeakPolarHBondContact CE1-OG 3.34Å; Y49-S71 WeakPolarHBondContact OH-CB 3.25Å; Y49-S71 PolarHBondContact OH-N 3.07Å; Y49-S71 PolarHBondContact OH-OG 2.85Å; S71-N103 CarbonylContact C-O 3.55Å; S71-N103 VanDerWaalsContact CA-O 3.28Å; S71-N103 WeakPolarHBondContact CA-O 3.49Å; S71-V172 PolarHBondContact N-O 2.73Å; S71-V172 PolarHBondContact O-N 3.38Å
72	L	98.9	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106	165.5	-173.2	69.6	0	0	0	108.6	V74 L90 L93 F102 N103 V104 L105 K169 I191 I195	L72-V74 HydrophobicContact CD2-CG2 4.17Å; L72-V74 HydrophobicContact CG-CG2 3.91Å; L72-L90 HydrophobicContact CD2-CD2 3.63Å; L72-L93 HydrophobicContact CD2-CD2 3.88Å; L72-F102 HydrophobicContact CB-CE2 3.77Å; L72-F102 HydrophobicContact CB-CZ 3.69Å; L72-N103 PolarHBondContact N-O 2.79Å; L72-V104 CarbonylContact O-C 3.59Å; L72-V104 WeakPolarHBondContact O-CA 3.41Å; L72-L105 PolarHBondContact O-N 3.14Å; L72-K169 HydrophobicContact CD1-CB 4.13Å; L72-I191 HydrophobicContact CD1-CD1 3.82Å; L72-I191 HydrophobicContact CD2-CD1 3.88Å; L72-I195 HydrophobicContact CB-CD1 4.49Å; L72-I195 HydrophobicContact CD1-CD1 4.06Å; L72-I195 HydrophobicContact CD2-CD1 3.92Å; L72-I195 HydrophobicContact CG-CD1 4.39Å
73	V	98.9	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127	179.6	-171	0	0	0	0	109.2	F48 L105 F107 F152 L155 K169 Y170 V172	F48-V73 HydrophobicContact CD1-CG2 4.44Å; F48-V73 HydrophobicContact CE1-CG2 3.59Å; F48-V73 HydrophobicContact CE2-CG1 4.49Å; F48-V73 HydrophobicContact CE2-CG2 4Å; F48-V73 HydrophobicContact CZ-CB 4.35Å; F48-V73 HydrophobicContact CZ-CG1 4.12Å; F48-V73 HydrophobicContact CZ-CG2 3.33Å; V73-L105 WeakPolarHBondContact CA-O 3.4Å; V73-L105 HydrophobicContact CG2-CB 4.37Å; V73-L105 HydrophobicContact CG2-CD1 4.29Å; V73-F107 HydrophobicContact CG1-CD2 3.73Å; V73-F107 HydrophobicContact CG1-CE2 3.61Å; V73-F152 HydrophobicContact CG1-CE2 4.26Å; V73-F152 HydrophobicContact CG1-CZ 4.14Å; V73-L155 HydrophobicContact CB-CD1 4.04Å; V73-L155 HydrophobicContact CG1-CD1 3.74Å; V73-L155 HydrophobicContact CG2-CD1 4.38Å; V73-K169 CarbonylContact O-C 3.48Å; V73-K169 WeakPolarHBondContact O-CA 3.16Å; V73-Y170 PolarHBondContact N-O 2.89Å; V73-Y170 PolarHBondContact O-N 2.84Å; V73-V172 HydrophobicContact CG2-CG2 3.92Å
74	V	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.7	-173.6	-170.5	0	0	0	0	110.4	L72 V76 L90 L105 A106 F107 F167 W168 K169	L72-V74 HydrophobicContact CD2-CG2 4.17Å; L72-V74 HydrophobicContact CG-CG2 3.91Å; V74-V76 HydrophobicContact CB-CG1 4.24Å; V74-V76 HydrophobicContact CG1-CG1 3.86Å; V74-L90 HydrophobicContact CG1-CD1 4.21Å; V74-L90 HydrophobicContact CG2-CD1 4.37Å; V74-L90 HydrophobicContact CG2-CD2 3.99Å; V74-L105 PolarHBondContact N-O 3.31Å; V74-A106 WeakPolarHBondContact O-CA 3.32Å; V74-F107 PolarHBondContact O-N 2.91Å; V74-F167 HydrophobicContact CG1-CD1 4.19Å; V74-W168 WeakPolarHBondContact CA-O 3.4Å; V74-W168 WeakPolarHBondContact CG1-O 3.23Å; V74-K169 HydrophobicContact CG1-CG 4.35Å; V74-K169 HydrophobicContact CG2-CG 4.25Å
75	N	98.9	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.5	165.2	68	-52.9	0	0	0	109.1	F107 C109 F112 V143 F152 W165 F167 W168	N75-F107 CarbonylContact C-O 3.56Å; N75-F107 WeakPolarHBondContact CA-O 3.42Å; N75-C109 HydrophobicContact CB-CB 4.46Å; N75-F112 VanDerWaalsContact ND2-CE2 3.33Å; N75-F112 WeakPolarHBondContact ND2-CE2 3.47Å; N75-V143 HydrophobicContact CB-CB 4.44Å; N75-V143 HydrophobicContact CB-CG1 4.12Å; N75-V143 HydrophobicContact CB-CG2 4.02Å; N75-F152 HydrophobicContact CB-CE1 4.39Å; N75-F152 HydrophobicContact CB-CZ 4.1Å; N75-W165 PolarHBondContact ND2-O 3.42Å; N75-F167 WeakPolarHBondContact O-CA 3.38Å; N75-F167 PolarHBondContact O-N 3.29Å; N75-W168 PolarHBondContact N-O 3.35Å; N75-W168 WeakPolarHBondContact OD1-CA 3.5Å; N75-W168 WeakPolarHBondContact OD1-CB 3.37Å; N75-W168 PolarHBondContact OD1-N 2.85Å; N75-W168 PolarHBondContact OD1-O 2.87Å
76	V	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.3	-171.9	-61.2	0	0	0	0	111.5	V74 Y87 A106 F107 P108 C109 F167	V74-V76 HydrophobicContact CB-CG1 4.24Å; V74-V76 HydrophobicContact CG1-CG1 3.86Å; V76-Y87 HydrophobicContact CB-CE2 4.27Å; V76-Y87 WeakPolarHBondContact CG2-OH 3.2Å; V76-A106 HydrophobicContact CG1-CB 4.06Å; V76-A106 HydrophobicContact CG2-CB 4.18Å; V76-F107 PolarHBondContact N-O 3.25Å; V76-P108 HydrophobicContact CG2-CB 4.32Å; V76-P108 HydrophobicContact CG2-CG 3.98Å; V76-P108 WeakPolarHBondContact O-CA 3.4Å; V76-C109 PolarHBondContact O-N 2.94Å; V76-F167 HydrophobicContact CB-CE1 4.06Å; V76-F167 HydrophobicContact CG1-CD1 4.23Å; V76-F167 HydrophobicContact CG1-CE1 3.93Å
77	A	98.7	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.			trans	-142.7	158.7	170.6	0	0	0	0	0	110.2	C80 T83 Q115 E116 N166 F167	A77-C80 HydrophobicContact CB-CB 4Å; A77-T83 WeakPolarHBondContact O-CG2 3.48Å; A77-T83 PolarHBondContact O-OG1 2.72Å; A77-T83 VanDerWaalsContact O-OG1 3.11Å; A77-Q115 HydrophobicContact CB-CB 4.02Å; A77-E116 WeakPolarHBondContact CA-OE2 3.24Å; A77-E116 HydrophobicContact CB-CB 4.41Å; A77-N166 HydrophobicContact CB-CB 3.96Å; A77-N166 WeakPolarHBondContact CB-OD1 3.37Å; A77-F167 VanDerWaalsContact O-CZ 3.27Å; A77-F167 WeakPolarHBondContact O-CZ 3.43Å
78	S	98.4	Very high	98.3	Very high	15 Å²	15	28.8 Å²	28.8	11%	0.105	17%	0.173	C	C	.	.	S	Bend	trans	-102.4	-29.5	-174	-80.7	0	0	0	0	111.7	T83 Q115 E116 F126	S78-T83 WeakPolarHBondContact O-CG2 3.38Å; S78-T83 PolarHBondContact O-OG1 2.59Å; S78-Q115 PolarHBondContact N-O 3.12Å; S78-E116 WeakPolarHBondContact CA-OE2 3.19Å; S78-E116 VanDerWaalsContact CB-OE2 3.23Å; S78-E116 WeakPolarHBondContact CB-OE2 3.47Å; S78-E116 PolarHBondContact N-OE2 3.38Å; S78-E116 PolarHBondContact OG-OE2 2.92Å; S78-F126 WeakPolarHBondContact OG-CD1 3.44Å; S78-F126 WeakPolarHBondContact OG-CE1 3.29Å
79	E	97.7	Very high	98.4	Very high	114 Å²	114	27.5 Å²	27.5	53%	0.533	16%	0.159	S	C	.	.	S	Bend	trans	-109.6	30.6	-177.5	-57.7	-173.9	-175.6	0	0	112.2	Q115	E79-Q115 HydrophobicContact CB-CB 4.26Å; E79-Q115 WeakPolarHBondContact CB-O 3.45Å; E79-Q115 PolarHBondContact N-O 3.09Å; E79-Q115 WeakPolarHBondContact O-CG 3.41Å; E79-Q115 PolarHBondContact O-NE2 3.21Å
80	C	97.1	Very high	98.4	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.081	16%	0.157	C	C	.	.	S	Bend	trans	-101.3	147.4	178.2	-175.7	0	0	0	0	111.7	A77 Y82 T83 Q115 N166 F167	A77-C80 HydrophobicContact CB-CB 4Å; C80-Y82 PolarHBondContact O-N 3.36Å; C80-Y82 VanDerWaalsContact O-N 3.11Å; C80-T83 WeakPolarHBondContact CA-OG1 3.46Å; C80-T83 WeakPolarHBondContact CB-OG1 3.39Å; C80-T83 PolarHBondContact N-OG1 2.93Å; C80-T83 WeakPolarHBondContact O-CB 3.49Å; C80-T83 PolarHBondContact O-N 2.86Å; C80-T83 PolarHBondContact O-OG1 2.67Å; C80-Q115 HydrophobicContact CB-CB 4.33Å; C80-Q115 PolarHBondContact SG-OE1 2.84Å; C80-N166 HydrophobicContact CB-CB 4.33Å; C80-F167 HydrophobicContact CB-CE2 3.93Å
81	G	96.9	Very high	98.4	Very high	77 Å²	77	27.5 Å²	27.5	79%	0.794	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.4	174.6	0	0	0	0	0	114.4
82	Y	97.3	Very high	98.4	Very high	84 Å²	84	31 Å²	31	33%	0.329	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.7	174.7	-65.8	-41.4	0	0	0	113.9	C80 D84 S85 H86 W165	C80-Y82 PolarHBondContact O-N 3.36Å; C80-Y82 VanDerWaalsContact O-N 3.11Å; Y82-D84 PolarHBondContact O-N 3.21Å; Y82-S85 PolarHBondContact O-OG 3.05Å; Y82-H86 VanDerWaalsContact O-CB 3.31Å; Y82-H86 WeakPolarHBondContact O-CB 3.34Å; Y82-H86 PolarHBondContact O-CD2 3.3Å; Y82-H86 PolarHBondContact O-N 3.37Å; Y82-H86 VanDerWaalsContact O-N 3.09Å; Y82-W165 AromaticContact CD2-CD1 3.94Å; Y82-W165 AromaticContact CE2-CD1 3.88Å
83	T	98.4	Very high	98.4	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-51.7	-172.4	-54.6	0	0	0	0	112.2	A77 S78 C80 Y87 F126 Y131	A77-T83 WeakPolarHBondContact O-CG2 3.48Å; A77-T83 PolarHBondContact O-OG1 2.72Å; A77-T83 VanDerWaalsContact O-OG1 3.11Å; S78-T83 WeakPolarHBondContact O-CG2 3.38Å; S78-T83 PolarHBondContact O-OG1 2.59Å; C80-T83 WeakPolarHBondContact CA-OG1 3.46Å; C80-T83 WeakPolarHBondContact CB-OG1 3.39Å; C80-T83 PolarHBondContact N-OG1 2.93Å; C80-T83 WeakPolarHBondContact O-CB 3.49Å; C80-T83 PolarHBondContact O-N 2.86Å; C80-T83 PolarHBondContact O-OG1 2.67Å; T83-Y87 HydrophobicContact CG2-CD2 3.57Å; T83-Y87 HydrophobicContact CG2-CE2 3.87Å; T83-Y87 WeakPolarHBondContact O-CB 3.41Å; T83-Y87 WeakPolarHBondContact O-CD2 3.32Å; T83-Y87 PolarHBondContact O-N 3.14Å; T83-F126 HydrophobicContact CG2-CE1 3.83Å; T83-F126 HydrophobicContact CG2-CZ 3.84Å; T83-Y131 HydrophobicContact CG2-CE2 4.2Å
84	D	98.4	Very high	98.3	Very high	74 Å²	74	31.8 Å²	31.8	40%	0.396	18%	0.178	S	C	.	.	H	α-helix	trans	-65.5	-49.8	-171	-174.9	71.8	0	0	0	112.9	Y82 K88 Y131	Y82-D84 PolarHBondContact O-N 3.21Å; D84-K88 WeakPolarHBondContact O-CB 3.45Å; D84-K88 WeakPolarHBondContact O-CD 3.26Å; D84-K88 VanDerWaalsContact O-CG 3.24Å; D84-K88 WeakPolarHBondContact O-CG 3.28Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 WeakPolarHBondContact OD1-CE 3.44Å; D84-K88 IonicContact OD1-NZ 3.61Å; D84-K88 PolarHBondContact OD1-NZ 2.78Å; D84-K88 WeakPolarHBondContact OD2-CE 3.48Å; D84-K88 IonicContact OD2-NZ 2.87Å; D84-K88 PolarHBondContact OD2-NZ 3.29Å; D84-Y131 WeakPolarHBondContact CA-OH 3.34Å; D84-Y131 WeakPolarHBondContact OD1-CE1 3.43Å; D84-Y131 PolarHBondContact OD1-OH 3.19Å
85	S	98.3	Very high	98.3	Very high	63 Å²	63	38.1 Å²	38.1	44%	0.441	20%	0.203	S	C	.	.	H	α-helix	trans	-65.5	-44.9	179.7	53.7	0	0	0	0	111.6	Y82 A89	Y82-S85 PolarHBondContact O-OG 3.05Å; S85-A89 WeakPolarHBondContact O-CB 3.2Å; S85-A89 PolarHBondContact O-N 3.45Å; S85-A89 VanDerWaalsContact O-N 3.09Å
86	H	98.5	Very high	98.2	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.046	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-45.1	-176.6	-74.7	-103.3	0	0	0	112.4	Y82 K88 A89 L90 F167 K169	Y82-H86 VanDerWaalsContact O-CB 3.31Å; Y82-H86 WeakPolarHBondContact O-CB 3.34Å; Y82-H86 PolarHBondContact O-CD2 3.3Å; Y82-H86 PolarHBondContact O-N 3.37Å; Y82-H86 VanDerWaalsContact O-N 3.09Å; H86-K88 VanDerWaalsContact C-N 3.34Å; H86-K88 PolarHBondContact O-N 3.08Å; H86-A89 PolarHBondContact O-N 2.83Å; H86-L90 VanDerWaalsContact O-CB 3.27Å; H86-L90 WeakPolarHBondContact O-CB 3.05Å; H86-L90 WeakPolarHBondContact O-CG 3.41Å; H86-L90 PolarHBondContact O-N 3.12Å; H86-F167 HydrophobicContact CB-CD1 3.43Å; H86-F167 VanDerWaalsContact CB-CD1 3.43Å; H86-F167 HydrophobicContact CB-CE1 3.64Å; H86-F167 HydrophobicContact CB-CG 3.97Å; H86-F167 HydrophobicContact CB-CZ 4.33Å; H86-F167 AromaticContact CG-CD1 3.81Å; H86-F167 AromaticContact CG-CG 3.86Å; H86-K169 VanDerWaalsContact CE1-CE 3.43Å; H86-K169 WeakPolarHBondContact CE1-CE 3.11Å; H86-K169 PolarHBondContact CE1-NZ 3.16Å; H86-K169 WeakPolarHBondContact ND1-CE 3.49Å
87	Y	98.8	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-41.3	178.4	-93.4	-81.3	0	0	0	112.2	V76 T83 Q91 F126 A127 Y131 F135 F167	V76-Y87 HydrophobicContact CB-CE2 4.27Å; V76-Y87 WeakPolarHBondContact CG2-OH 3.2Å; T83-Y87 HydrophobicContact CG2-CD2 3.57Å; T83-Y87 HydrophobicContact CG2-CE2 3.87Å; T83-Y87 WeakPolarHBondContact O-CB 3.41Å; T83-Y87 WeakPolarHBondContact O-CD2 3.32Å; T83-Y87 PolarHBondContact O-N 3.14Å; Y87-Q91 VanDerWaalsContact O-CB 3.27Å; Y87-Q91 WeakPolarHBondContact O-CB 3.21Å; Y87-Q91 PolarHBondContact O-N 3.42Å; Y87-F126 HydrophobicContact CE2-CE1 4.44Å; Y87-A127 HydrophobicContact CD1-CB 4.39Å; Y87-A127 HydrophobicContact CE1-CB 3.67Å; Y87-Y131 HydrophobicContact CD1-CD2 4.06Å; Y87-Y131 HydrophobicContact CD1-CG 4.47Å; Y87-Y131 HydrophobicContact CD2-CD2 4.3Å; Y87-Y131 HydrophobicContact CD2-CE2 4.17Å; Y87-Y131 AromaticContact CG-CD2 3.74Å; Y87-Y131 HydrophobicContact CG-CD2 3.74Å; Y87-Y131 HydrophobicContact CG-CE2 4.03Å; Y87-Y131 HydrophobicContact CG-CG 4.18Å; Y87-F135 AromaticContact CD1-CZ 3.83Å; Y87-F135 HydrophobicContact CD1-CZ 3.83Å; Y87-F135 HydrophobicContact CE1-CE2 4.29Å; Y87-F135 AromaticContact CE1-CZ 3.9Å; Y87-F135 HydrophobicContact CE1-CZ 3.9Å; Y87-F167 HydrophobicContact CD2-CE1 4.13Å; Y87-F167 HydrophobicContact CD2-CZ 4.18Å; Y87-F167 HydrophobicContact CE2-CE1 4.17Å; Y87-F167 HydrophobicContact CE2-CZ 4.14Å
88	K	98.7	Very high	98	Very high	109 Å²	109	43.8 Å²	43.8	47%	0.474	24%	0.238	S	C	.	.	H	α-helix	trans	-59.4	-48.5	176.1	-75.3	172.8	179.9	166.5	0	111.4	D84 H86 Q91 Q92 Y131	D84-K88 WeakPolarHBondContact O-CB 3.45Å; D84-K88 WeakPolarHBondContact O-CD 3.26Å; D84-K88 VanDerWaalsContact O-CG 3.24Å; D84-K88 WeakPolarHBondContact O-CG 3.28Å; D84-K88 PolarHBondContact O-N 2.94Å; D84-K88 WeakPolarHBondContact OD1-CE 3.44Å; D84-K88 IonicContact OD1-NZ 3.61Å; D84-K88 PolarHBondContact OD1-NZ 2.78Å; D84-K88 WeakPolarHBondContact OD2-CE 3.48Å; D84-K88 IonicContact OD2-NZ 2.87Å; D84-K88 PolarHBondContact OD2-NZ 3.29Å; H86-K88 VanDerWaalsContact C-N 3.34Å; H86-K88 PolarHBondContact O-N 3.08Å; K88-Q91 PolarHBondContact O-N 3.49Å; K88-Q92 PolarHBondContact O-N 2.83Å; K88-Y131 HydrophobicContact CG-CD1 3.9Å; K88-Y131 HydrophobicContact CG-CE1 4.14Å
89	A	98.6	Very high	97.6	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-71.5	-40	-177.2	0	0	0	0	0	112.8	S85 H86 Q91 Q92 L93 V188 E189	S85-A89 WeakPolarHBondContact O-CB 3.2Å; S85-A89 PolarHBondContact O-N 3.45Å; S85-A89 VanDerWaalsContact O-N 3.09Å; H86-A89 PolarHBondContact O-N 2.83Å; A89-Q91 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.05Å; A89-Q92 PolarHBondContact O-N 3.18Å; A89-L93 WeakPolarHBondContact O-CB 3.28Å; A89-L93 PolarHBondContact O-N 3.16Å; A89-V188 HydrophobicContact CB-CB 3.56Å; A89-V188 HydrophobicContact CB-CG1 3.93Å; A89-V188 HydrophobicContact CB-CG2 3.95Å; A89-E189 VanDerWaalsContact CB-OE1 3.22Å; A89-E189 WeakPolarHBondContact CB-OE1 3.37Å
90	L	98.8	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-42.6	173.2	-71.1	172	0	0	0	111.4	L72 V74 H86 L93 Q94 V104 F135 V188	L72-L90 HydrophobicContact CD2-CD2 3.63Å; V74-L90 HydrophobicContact CG1-CD1 4.21Å; V74-L90 HydrophobicContact CG2-CD1 4.37Å; V74-L90 HydrophobicContact CG2-CD2 3.99Å; H86-L90 VanDerWaalsContact O-CB 3.27Å; H86-L90 WeakPolarHBondContact O-CB 3.05Å; H86-L90 WeakPolarHBondContact O-CG 3.41Å; H86-L90 PolarHBondContact O-N 3.12Å; L90-L93 PolarHBondContact O-N 3.2Å; L90-Q94 WeakPolarHBondContact O-CB 3.2Å; L90-Q94 PolarHBondContact O-N 3.3Å; L90-V104 HydrophobicContact CB-CG1 4.46Å; L90-V104 HydrophobicContact CB-CG2 4.47Å; L90-V104 HydrophobicContact CD2-CG1 4.15Å; L90-V104 HydrophobicContact CD2-CG2 4.23Å; L90-F135 HydrophobicContact CB-CE1 4.07Å; L90-F135 HydrophobicContact CB-CZ 4.43Å; L90-V188 HydrophobicContact CD2-CG1 4.4Å; L90-V188 HydrophobicContact CD2-CG2 4.02Å; L90-V188 HydrophobicContact CG-CG2 4.12Å
91	Q	98.7	Very high	97	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-39.2	176.8	179.9	55.9	22	0	0	111.7	Y87 K88 A89 L93 Q94 R95 G132 A133 S134 F135	Y87-Q91 VanDerWaalsContact O-CB 3.27Å; Y87-Q91 WeakPolarHBondContact O-CB 3.21Å; Y87-Q91 PolarHBondContact O-N 3.42Å; K88-Q91 PolarHBondContact O-N 3.49Å; A89-Q91 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.05Å; Q91-L93 VanDerWaalsContact C-N 3.34Å; Q91-Q94 PolarHBondContact O-N 3.43Å; Q91-R95 WeakPolarHBondContact O-CG 3.49Å; Q91-R95 PolarHBondContact O-N 3.31Å; Q91-G132 VanDerWaalsContact CD-O 3.26Å; Q91-G132 PolarHBondContact NE2-O 2.78Å; Q91-G132 VanDerWaalsContact NE2-O 3.11Å; Q91-A133 VanDerWaalsContact OE1-CA 3.32Å; Q91-S134 PolarHBondContact NE2-OG 2.56Å; Q91-S134 PolarHBondContact OE1-OG 2.76Å; Q91-F135 HydrophobicContact CB-CE1 4.18Å
92	Q	98.5	Very high	97.1	Very high	73 Å²	73	48.5 Å²	48.5	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-45.9	173.2	-173.5	62.8	49.3	0	0	111.2	K88 A89 Q94 R95 D96	K88-Q92 PolarHBondContact O-N 2.83Å; A89-Q92 PolarHBondContact O-N 3.18Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q92-Q94 PolarHBondContact O-N 3.36Å; Q92-R95 WeakPolarHBondContact O-CB 3.35Å; Q92-R95 PolarHBondContact O-N 3.06Å; Q92-R95 VanDerWaalsContact O-N 3.16Å; Q92-D96 PolarHBondContact NE2-OD1 3.39Å; Q92-D96 PolarHBondContact NE2-OD2 3.21Å; Q92-D96 VanDerWaalsContact O-CG 3.23Å; Q92-D96 PolarHBondContact O-N 3.15Å
93	L	98.2	Very high	97.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-42.3	177.6	-170.5	70.6	0	0	0	112.1	L72 A89 L90 Q91 R95 D96 L97 F102 V188 R192 I195	L72-L93 HydrophobicContact CD2-CD2 3.88Å; A89-L93 WeakPolarHBondContact O-CB 3.28Å; A89-L93 PolarHBondContact O-N 3.16Å; L90-L93 PolarHBondContact O-N 3.2Å; Q91-L93 VanDerWaalsContact C-N 3.34Å; L93-R95 VanDerWaalsContact C-N 3.34Å; L93-R95 PolarHBondContact O-N 3.45Å; L93-D96 PolarHBondContact O-N 2.99Å; L93-L97 HydrophobicContact CD1-CD1 3.55Å; L93-L97 HydrophobicContact CD1-CG 4.29Å; L93-L97 HydrophobicContact CG-CD1 4.23Å; L93-L97 PolarHBondContact O-N 3.1Å; L93-F102 HydrophobicContact CB-CE1 4.37Å; L93-F102 HydrophobicContact CD2-CE1 3.7Å; L93-F102 HydrophobicContact CD2-CE2 4.31Å; L93-F102 HydrophobicContact CD2-CZ 3.37Å; L93-F102 HydrophobicContact CG-CD1 4.42Å; L93-F102 HydrophobicContact CG-CE1 3.57Å; L93-F102 HydrophobicContact CG-CZ 3.79Å; L93-V188 HydrophobicContact CD2-CG1 4.16Å; L93-R192 HydrophobicContact CD1-CB 4.48Å; L93-R192 HydrophobicContact CD1-CG 3.99Å; L93-I195 HydrophobicContact CD2-CD1 3.53Å
94	Q	98.6	Very high	97.2	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-40.1	175	-179.3	64.1	50.4	0	0	112.1	L90 Q91 Q92 G98 V104 F135	L90-Q94 WeakPolarHBondContact O-CB 3.2Å; L90-Q94 PolarHBondContact O-N 3.3Å; Q91-Q94 PolarHBondContact O-N 3.43Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q92-Q94 PolarHBondContact O-N 3.36Å; Q94-G98 WeakPolarHBondContact O-CA 3.38Å; Q94-G98 PolarHBondContact O-N 2.98Å; Q94-V104 HydrophobicContact CB-CG2 4.35Å; Q94-F135 HydrophobicContact CB-CB 4.35Å; Q94-F135 HydrophobicContact CB-CD1 4.07Å; Q94-F135 HydrophobicContact CG-CB 3.83Å; Q94-F135 HydrophobicContact CG-CD1 4.32Å
95	R	98.1	Very high	97.2	Very high	134 Å²	134	41.6 Å²	41.6	51%	0.506	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-41.5	176	-75.2	-170.6	-66.1	-107.7	-2.9	112.2	Q91 Q92 L93	Q91-R95 WeakPolarHBondContact O-CG 3.49Å; Q91-R95 PolarHBondContact O-N 3.31Å; Q92-R95 WeakPolarHBondContact O-CB 3.35Å; Q92-R95 PolarHBondContact O-N 3.06Å; Q92-R95 VanDerWaalsContact O-N 3.16Å; L93-R95 VanDerWaalsContact C-N 3.34Å; L93-R95 PolarHBondContact O-N 3.45Å
96	D	97.4	Very high	97.3	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-76.4	-35.9	-172.5	-68.8	-8.2	0	0	0	112.9	Q92 L93 R192	Q92-D96 PolarHBondContact NE2-OD1 3.39Å; Q92-D96 PolarHBondContact NE2-OD2 3.21Å; Q92-D96 VanDerWaalsContact O-CG 3.23Å; Q92-D96 PolarHBondContact O-N 3.15Å; L93-D96 PolarHBondContact O-N 2.99Å; D96-R192 IonicContact OD2-CZ 2.87Å; D96-R192 IonicContact OD2-NH1 3.25Å; D96-R192 PolarHBondContact OD2-NH1 3.42Å; D96-R192 IonicContact OD2-NH2 3.49Å; D96-R192 PolarHBondContact OD2-NH2 3.05Å
97	L	97	Very high	97.3	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.157	18%	0.182	C	C	.	.	H	α-helix	trans	-115.4	-19.4	-170	-57.6	-179	0	0	0	114	L93 F102 I195 V199	L93-L97 HydrophobicContact CD1-CD1 3.55Å; L93-L97 HydrophobicContact CD1-CG 4.29Å; L93-L97 HydrophobicContact CG-CD1 4.23Å; L93-L97 PolarHBondContact O-N 3.1Å; L97-F102 HydrophobicContact CB-CB 3.58Å; L97-F102 HydrophobicContact CB-CD1 3.69Å; L97-F102 HydrophobicContact CB-CG 3.8Å; L97-F102 HydrophobicContact CD1-CD1 4.41Å; L97-F102 HydrophobicContact CD1-CG 4.33Å; L97-I195 HydrophobicContact CD1-CG2 3.7Å; L97-V199 HydrophobicContact CD1-CG2 4.46Å
98	G	95.2	Very high	97.3	Very high	21 Å²	21	38.2 Å²	38.2	22%	0.216	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	172.7	-178.5	0	0	0	0	0	113.9	Q94 F102	Q94-G98 WeakPolarHBondContact O-CA 3.38Å; Q94-G98 PolarHBondContact O-N 2.98Å; G98-F102 WeakPolarHBondContact CA-O 3.47Å
99	P	90.9	Very high	97.3	Very high	80 Å²	80	33 Å²	33	52%	0.519	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.3	-5.7	-6.3	36	-34.6	0	0	0	113.9
100	Y	88.1	Confident	97.3	Very high	192 Å²	192	34.9 Å²	34.9	75%	0.753	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-35.4	-166	-63.7	-73.2	0	0	0	114.5
101	H	94.7	Very high	97.3	Very high	44 Å²	44	39 Å²	39	20%	0.204	19%	0.187	C	C	.	.	S	Bend	trans	-123.8	-4.6	-173.8	-59.2	-49	0	0	0	113.3	V70 V199 I202	V70-H101 PolarHBondContact N-O 3.43Å; H101-V199 HydrophobicContact CB-CG1 3.89Å; H101-I202 HydrophobicContact CB-CD1 4.22Å
102	F	98.5	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.4	-178.7	177.1	-103.3	0	0	0	112.7	V70 L72 L93 L97 G98 V104 I195 V199	V70-F102 HydrophobicContact CB-CD2 4.1Å; V70-F102 HydrophobicContact CG1-CD2 3.97Å; V70-F102 HydrophobicContact CG1-CE2 4.35Å; V70-F102 CarbonylContact O-C 3.58Å; V70-F102 VanDerWaalsContact O-CA 3.22Å; V70-F102 WeakPolarHBondContact O-CA 3.34Å; V70-F102 WeakPolarHBondContact O-CD2 3.45Å; L72-F102 HydrophobicContact CB-CE2 3.77Å; L72-F102 HydrophobicContact CB-CZ 3.69Å; L93-F102 HydrophobicContact CB-CE1 4.37Å; L93-F102 HydrophobicContact CD2-CE1 3.7Å; L93-F102 HydrophobicContact CD2-CE2 4.31Å; L93-F102 HydrophobicContact CD2-CZ 3.37Å; L93-F102 HydrophobicContact CG-CD1 4.42Å; L93-F102 HydrophobicContact CG-CE1 3.57Å; L93-F102 HydrophobicContact CG-CZ 3.79Å; L97-F102 HydrophobicContact CB-CB 3.58Å; L97-F102 HydrophobicContact CB-CD1 3.69Å; L97-F102 HydrophobicContact CB-CG 3.8Å; L97-F102 HydrophobicContact CD1-CD1 4.41Å; L97-F102 HydrophobicContact CD1-CG 4.33Å; G98-F102 WeakPolarHBondContact CA-O 3.47Å; F102-V104 HydrophobicContact CE1-CG2 3.69Å; F102-V104 HydrophobicContact CZ-CG2 3.8Å; F102-I195 HydrophobicContact CD2-CG2 3.51Å; F102-I195 HydrophobicContact CE2-CD1 4.38Å; F102-I195 HydrophobicContact CE2-CG2 3.38Å; F102-I195 HydrophobicContact CG-CG2 4.34Å; F102-I195 HydrophobicContact CZ-CG2 4.12Å; F102-V199 HydrophobicContact CB-CG2 3.99Å
103	N	98.4	Very high	97.2	Very high	18 Å²	18	38.7 Å²	38.7	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.8	173.1	-68.4	-80.7	0	0	0	111.6	Y66 S69 V70 S71 L72 L105	Y66-N103 HydrophobicContact CD1-CB 4.16Å; Y66-N103 HydrophobicContact CE1-CB 4.45Å; S69-N103 PolarHBondContact OG-ND2 3.34Å; V70-N103 PolarHBondContact O-N 3.18Å; S71-N103 CarbonylContact C-O 3.55Å; S71-N103 VanDerWaalsContact CA-O 3.28Å; S71-N103 WeakPolarHBondContact CA-O 3.49Å; L72-N103 PolarHBondContact N-O 2.79Å; N103-L105 HydrophobicContact CB-CD2 4.14Å
104	V	98.9	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.8	158.3	177.1	0	0	0	0	108.5	L72 L90 Q94 F102 F135 P136	L72-V104 CarbonylContact O-C 3.59Å; L72-V104 WeakPolarHBondContact O-CA 3.41Å; L90-V104 HydrophobicContact CB-CG1 4.46Å; L90-V104 HydrophobicContact CB-CG2 4.47Å; L90-V104 HydrophobicContact CD2-CG1 4.15Å; L90-V104 HydrophobicContact CD2-CG2 4.23Å; Q94-V104 HydrophobicContact CB-CG2 4.35Å; F102-V104 HydrophobicContact CE1-CG2 3.69Å; F102-V104 HydrophobicContact CZ-CG2 3.8Å; V104-F135 HydrophobicContact CB-CB 3.72Å; V104-F135 HydrophobicContact CB-CD1 4.1Å; V104-F135 HydrophobicContact CB-CD2 4.3Å; V104-F135 HydrophobicContact CB-CG 3.8Å; V104-F135 HydrophobicContact CG1-CB 4.33Å; V104-F135 HydrophobicContact CG1-CD1 4.24Å; V104-F135 HydrophobicContact CG1-CD2 3.96Å; V104-F135 HydrophobicContact CG1-CE2 4.29Å; V104-F135 HydrophobicContact CG1-CG 3.93Å; V104-P136 VanDerWaalsContact O-CD 3.3Å; V104-P136 WeakPolarHBondContact O-CD 3.18Å
105	L	98.9	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	97.7	177.6	-60.7	-174	0	0	0	108.8	F48 Y66 L72 V73 V74 N103 F107 P136 F138	F48-L105 HydrophobicContact CE1-CD1 3.79Å; F48-L105 HydrophobicContact CZ-CD1 4.31Å; Y66-L105 HydrophobicContact CD1-CD2 4.01Å; Y66-L105 HydrophobicContact CD2-CD1 4.05Å; Y66-L105 HydrophobicContact CD2-CD2 4Å; Y66-L105 HydrophobicContact CE1-CD2 3.65Å; Y66-L105 HydrophobicContact CE2-CD1 4.33Å; Y66-L105 HydrophobicContact CE2-CD2 3.66Å; Y66-L105 HydrophobicContact CG-CD1 4.4Å; Y66-L105 HydrophobicContact CG-CD2 4.16Å; Y66-L105 VanDerWaalsContact CZ-CD2 3.44Å; L72-L105 PolarHBondContact O-N 3.14Å; V73-L105 WeakPolarHBondContact CA-O 3.4Å; V73-L105 HydrophobicContact CG2-CB 4.37Å; V73-L105 HydrophobicContact CG2-CD1 4.29Å; V74-L105 PolarHBondContact N-O 3.31Å; N103-L105 HydrophobicContact CB-CD2 4.14Å; L105-F107 HydrophobicContact CB-CE2 4.07Å; L105-F107 WeakPolarHBondContact O-CD2 3.22Å; L105-P136 HydrophobicContact CD2-CB 3.99Å; L105-P136 HydrophobicContact CD2-CG 4.02Å; L105-F138 HydrophobicContact CB-CE2 3.88Å; L105-F138 HydrophobicContact CD2-CE2 4.05Å; L105-F138 HydrophobicContact CD2-CZ 4.18Å; L105-F138 HydrophobicContact CG-CE2 4.45Å
106	A	98.9	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125	-172.1	0	0	0	0	0	112.6	V74 V76 P108 F135 P136 M137 F138	V74-A106 WeakPolarHBondContact O-CA 3.32Å; V76-A106 HydrophobicContact CG1-CB 4.06Å; V76-A106 HydrophobicContact CG2-CB 4.18Å; A106-P108 WeakPolarHBondContact O-CD 3.3Å; A106-F135 HydrophobicContact CB-CD2 3.91Å; A106-F135 HydrophobicContact CB-CE2 3.61Å; A106-P136 PolarHBondContact N-O 2.75Å; A106-M137 HydrophobicContact CB-CG 4.2Å; A106-M137 WeakPolarHBondContact O-CA 3.28Å; A106-F138 WeakPolarHBondContact O-CD2 3.45Å; A106-F138 PolarHBondContact O-N 2.81Å
107	F	98.9	Very high	97.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	97.3	-179.7	-70.5	-97.2	0	0	0	110.3	V53 V73 V74 N75 V76 L105 C109 F138 T141 I149 F152	V53-F107 HydrophobicContact CB-CE1 4.22Å; V53-F107 HydrophobicContact CG1-CE1 3.99Å; V53-F107 HydrophobicContact CG1-CZ 4.29Å; V53-F107 HydrophobicContact CG2-CE1 4.41Å; V53-F107 HydrophobicContact CG2-CZ 4.47Å; V73-F107 HydrophobicContact CG1-CD2 3.73Å; V73-F107 HydrophobicContact CG1-CE2 3.61Å; V74-F107 PolarHBondContact O-N 2.91Å; N75-F107 CarbonylContact C-O 3.56Å; N75-F107 WeakPolarHBondContact CA-O 3.42Å; V76-F107 PolarHBondContact N-O 3.25Å; L105-F107 HydrophobicContact CB-CE2 4.07Å; L105-F107 WeakPolarHBondContact O-CD2 3.22Å; F107-C109 PolarHBondContact O-N 3.43Å; F107-F138 HydrophobicContact CD1-CB 3.6Å; F107-F138 AromaticContact CD1-CD2 3.96Å; F107-F138 HydrophobicContact CD1-CD2 3.96Å; F107-F138 AromaticContact CD1-CG 3.95Å; F107-F138 HydrophobicContact CD1-CG 3.95Å; F107-F138 AromaticContact CD2-CD2 3.84Å; F107-F138 HydrophobicContact CD2-CD2 3.84Å; F107-F138 HydrophobicContact CD2-CE2 4.44Å; F107-F138 HydrophobicContact CE1-CB 3.67Å; F107-F138 HydrophobicContact CE1-CD1 4.26Å; F107-F138 AromaticContact CE1-CD2 3.62Å; F107-F138 HydrophobicContact CE1-CD2 3.62Å; F107-F138 HydrophobicContact CE1-CE2 4.37Å; F107-F138 AromaticContact CE1-CG 3.55Å; F107-F138 HydrophobicContact CE1-CG 3.55Å; F107-F138 AromaticContact CE2-CD2 3.48Å; F107-F138 HydrophobicContact CE2-CD2 3.48Å; F107-F138 VanDerWaalsContact CE2-CD2 3.48Å; F107-F138 AromaticContact CE2-CE2 3.74Å; F107-F138 HydrophobicContact CE2-CE2 3.74Å; F107-F138 HydrophobicContact CE2-CG 4.29Å; F107-F138 HydrophobicContact CG-CB 4.22Å; F107-F138 HydrophobicContact CG-CD2 4.06Å; F107-F138 HydrophobicContact CG-CG 4.47Å; F107-F138 HydrophobicContact CZ-CB 4.34Å; F107-F138 HydrophobicContact CZ-CD1 4.37Å; F107-F138 AromaticContact CZ-CD2 3.36Å; F107-F138 HydrophobicContact CZ-CD2 3.36Å; F107-F138 AromaticContact CZ-CE2 3.71Å; F107-F138 HydrophobicContact CZ-CE2 3.71Å; F107-F138 AromaticContact CZ-CG 3.75Å; F107-F138 HydrophobicContact CZ-CG 3.75Å; F107-F138 HydrophobicContact CZ-CZ 4.32Å; F107-T141 HydrophobicContact CD1-CG2 4.15Å; F107-I149 HydrophobicContact CD1-CD1 4.25Å; F107-I149 HydrophobicContact CE1-CD1 4.02Å; F107-F152 HydrophobicContact CB-CE2 3.74Å; F107-F152 HydrophobicContact CB-CZ 4.19Å; F107-F152 HydrophobicContact CD1-CE2 4.06Å; F107-F152 AromaticContact CD2-CE2 3.8Å; F107-F152 HydrophobicContact CD2-CE2 3.8Å; F107-F152 HydrophobicContact CD2-CZ 4.39Å; F107-F152 HydrophobicContact CE2-CE2 4.4Å; F107-F152 AromaticContact CG-CE2 3.61Å; F107-F152 HydrophobicContact CG-CE2 3.61Å; F107-F152 HydrophobicContact CG-CZ 4.38Å
108	P	98.9	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	137.4	173.6	-27.7	37	0	0	0	112.1	I56 V76 A106 E116 I123 M137 F138 K140 T141	I56-P108 HydrophobicContact CD1-CG 4.31Å; V76-P108 HydrophobicContact CG2-CB 4.32Å; V76-P108 HydrophobicContact CG2-CG 3.98Å; V76-P108 WeakPolarHBondContact O-CA 3.4Å; A106-P108 WeakPolarHBondContact O-CD 3.3Å; P108-E116 HydrophobicContact CB-CG 3.91Å; P108-E116 WeakPolarHBondContact CB-OE1 3.41Å; P108-I123 HydrophobicContact CB-CD1 4.14Å; P108-I123 HydrophobicContact CB-CG2 4.11Å; P108-I123 HydrophobicContact CG-CG2 3.71Å; P108-M137 HydrophobicContact CG-CE 4.27Å; P108-F138 VanDerWaalsContact CD-O 3.24Å; P108-F138 WeakPolarHBondContact CD-O 3.24Å; P108-K140 HydrophobicContact CB-CB 4.15Å; P108-K140 HydrophobicContact CB-CG 4.32Å; P108-K140 CarbonylContact O-C 3.59Å; P108-K140 VanDerWaalsContact O-CA 3.28Å; P108-K140 WeakPolarHBondContact O-CA 3.29Å; P108-T141 PolarHBondContact O-N 3.35Å
109	C	98.7	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.			trans	-145.5	130.9	-178.1	-172.9	0	0	0	0	112.2	N75 V76 F107 Q111 F112 E116 T141 V143	N75-C109 HydrophobicContact CB-CB 4.46Å; V76-C109 PolarHBondContact O-N 2.94Å; F107-C109 PolarHBondContact O-N 3.43Å; C109-Q111 PolarHBondContact SG-OE1 3.06Å; C109-F112 HydrophobicContact CB-CE2 4.47Å; C109-E116 VanDerWaalsContact O-CB 3.29Å; C109-E116 WeakPolarHBondContact O-CB 3.44Å; C109-T141 PolarHBondContact SG-O 3.48Å; C109-V143 HydrophobicContact CB-CG1 4.1Å; C109-V143 HydrophobicContact CB-CG2 4.18Å
110	N	98.6	Very high	97.8	Very high	49 Å²	49	41.4 Å²	41.4	26%	0.262	22%	0.218	S	C	.	.			trans	-100.2	9.5	179.8	-154.4	31.3	0	0	0	114.3	F112 Q114 Q115 E116 K140	N110-F112 VanDerWaalsContact C-N 3.3Å; N110-F112 PolarHBondContact O-N 2.95Å; N110-Q114 WeakPolarHBondContact OD1-CA 3.33Å; N110-Q114 PolarHBondContact OD1-O 3.03Å; N110-Q115 PolarHBondContact OD1-N 3Å; N110-E116 HydrophobicContact CB-CB 4.21Å; N110-E116 WeakPolarHBondContact CB-O 3.48Å; N110-E116 WeakPolarHBondContact OD1-CA 3.22Å; N110-E116 PolarHBondContact OD1-N 2.84Å; N110-E116 PolarHBondContact OD1-O 2.84Å; N110-K140 HydrophobicContact CB-CD 4.18Å
111	Q	98.6	Very high	98.3	Very high	86 Å²	86	40.4 Å²	40.4	40%	0.402	22%	0.218	S	C	.	.	S	Bend	trans	-73.6	-22.3	-176.2	-68.5	179.6	-81.9	0	0	113	C109 S144	C109-Q111 PolarHBondContact SG-OE1 3.06Å; Q111-S144 PolarHBondContact NE2-O 2.62Å; Q111-S144 VanDerWaalsContact OE1-N 3.12Å
112	F	98.3	Very high	98.5	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	23%	0.231	C	C	.	.	S	Bend	trans	-108.9	106.4	-171.7	-47.7	-70.2	0	0	0	110.5	N75 C109 N110 Q114 Q115 V143 P163 T164 W165 N166	N75-F112 VanDerWaalsContact ND2-CE2 3.33Å; N75-F112 WeakPolarHBondContact ND2-CE2 3.47Å; C109-F112 HydrophobicContact CB-CE2 4.47Å; N110-F112 VanDerWaalsContact C-N 3.3Å; N110-F112 PolarHBondContact O-N 2.95Å; F112-Q114 PolarHBondContact O-N 2.89Å; F112-Q115 PolarHBondContact O-N 3.12Å; F112-V143 HydrophobicContact CE2-CG2 3.56Å; F112-V143 HydrophobicContact CZ-CG2 3.82Å; F112-P163 WeakPolarHBondContact CE1-O 3.29Å; F112-P163 HydrophobicContact CE2-CB 4.38Å; F112-P163 HydrophobicContact CZ-CB 3.87Å; F112-P163 VanDerWaalsContact CZ-O 3.28Å; F112-P163 WeakPolarHBondContact CZ-O 3.31Å; F112-T164 WeakPolarHBondContact CD1-O 3.12Å; F112-W165 HydrophobicContact CB-CD2 4.39Å; F112-W165 HydrophobicContact CB-CE3 4.06Å; F112-W165 HydrophobicContact CB-CZ3 4.42Å; F112-N166 WeakPolarHBondContact CD2-OD1 3.46Å; F112-N166 PolarHBondContact O-ND2 3.34Å
113	G	97.1	Very high	98.6	Very high	57 Å²	57	43.2 Å²	43.2	59%	0.588	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	11.4	179.9	0	0	0	0	0	115	Q115	G113-Q115 PolarHBondContact O-N 2.67Å
114	Q	97.8	Very high	98.6	Very high	148 Å²	148	43.4 Å²	43.4	69%	0.692	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	36.7	-173	-56.2	-177.4	19.2	0	0	113.6	N110 F112 E116	N110-Q114 WeakPolarHBondContact OD1-CA 3.33Å; N110-Q114 PolarHBondContact OD1-O 3.03Å; F112-Q114 PolarHBondContact O-N 2.89Å; Q114-E116 VanDerWaalsContact C-N 3.28Å; Q114-E116 PolarHBondContact O-N 2.88Å
115	Q	98.2	Very high	98.6	Very high	38 Å²	38	45.4 Å²	45.4	18%	0.178	25%	0.246	C	C	.	.			trans	-86.7	11.2	-173	-63.9	-176.6	-40.1	0	0	114.5	A77 S78 E79 C80 N110 F112 G113 P117 N166	A77-Q115 HydrophobicContact CB-CB 4.02Å; S78-Q115 PolarHBondContact N-O 3.12Å; E79-Q115 HydrophobicContact CB-CB 4.26Å; E79-Q115 WeakPolarHBondContact CB-O 3.45Å; E79-Q115 PolarHBondContact N-O 3.09Å; E79-Q115 WeakPolarHBondContact O-CG 3.41Å; E79-Q115 PolarHBondContact O-NE2 3.21Å; C80-Q115 HydrophobicContact CB-CB 4.33Å; C80-Q115 PolarHBondContact SG-OE1 2.84Å; N110-Q115 PolarHBondContact OD1-N 3Å; F112-Q115 PolarHBondContact O-N 3.12Å; G113-Q115 PolarHBondContact O-N 2.67Å; Q115-P117 VanDerWaalsContact C-CD 3.48Å; Q115-N166 PolarHBondContact OE1-ND2 3.06Å
116	E	98.6	Very high	98.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.			trans	-134.3	57.2	174.2	-162.4	73.1	162.9	0	0	110.5	A77 S78 P108 C109 N110 Q114 D118 I123 K140	A77-E116 WeakPolarHBondContact CA-OE2 3.24Å; A77-E116 HydrophobicContact CB-CB 4.41Å; S78-E116 WeakPolarHBondContact CA-OE2 3.19Å; S78-E116 VanDerWaalsContact CB-OE2 3.23Å; S78-E116 WeakPolarHBondContact CB-OE2 3.47Å; S78-E116 PolarHBondContact N-OE2 3.38Å; S78-E116 PolarHBondContact OG-OE2 2.92Å; P108-E116 HydrophobicContact CB-CG 3.91Å; P108-E116 WeakPolarHBondContact CB-OE1 3.41Å; C109-E116 VanDerWaalsContact O-CB 3.29Å; C109-E116 WeakPolarHBondContact O-CB 3.44Å; N110-E116 HydrophobicContact CB-CB 4.21Å; N110-E116 WeakPolarHBondContact CB-O 3.48Å; N110-E116 WeakPolarHBondContact OD1-CA 3.22Å; N110-E116 PolarHBondContact OD1-N 2.84Å; N110-E116 PolarHBondContact OD1-O 2.84Å; Q114-E116 VanDerWaalsContact C-N 3.28Å; Q114-E116 PolarHBondContact O-N 2.88Å; E116-D118 VanDerWaalsContact C-N 3.33Å; E116-D118 PolarHBondContact O-N 2.88Å; E116-I123 HydrophobicContact CG-CD1 3.64Å; E116-I123 HydrophobicContact CG-CG1 4.22Å; E116-I123 WeakPolarHBondContact OE1-CD1 3.35Å; E116-I123 WeakPolarHBondContact OE1-CG1 3.45Å; E116-I123 WeakPolarHBondContact OE1-CG2 3.36Å; E116-K140 HydrophobicContact CB-CD 4.26Å; E116-K140 HydrophobicContact CG-CD 3.79Å; E116-K140 HydrophobicContact CG-CG 4.46Å; E116-K140 WeakPolarHBondContact O-CD 3.47Å; E116-K140 WeakPolarHBondContact O-CE 3.41Å; E116-K140 PolarHBondContact O-NZ 3.5Å
117	P	98.4	Very high	98.5	Very high	60 Å²	60	48.1 Å²	48.1	39%	0.39	26%	0.257	S	S	.	.			trans	-70.6	-30	-171.4	29.2	-35.2	0	0	0	112.8	Q115 K140	Q115-P117 VanDerWaalsContact C-CD 3.48Å; P117-K140 PolarHBondContact O-NZ 2.81Å
118	D	98.5	Very high	98.5	Very high	62 Å²	62	52.3 Å²	52.3	33%	0.332	27%	0.273	S	S	.	.	S	Bend	trans	-68.4	166.4	-168.4	-72.8	-16.5	0	0	0	115.6	E116 E122 I123 K140	E116-D118 VanDerWaalsContact C-N 3.33Å; E116-D118 PolarHBondContact O-N 2.88Å; D118-E122 HydrophobicContact CB-CB 3.83Å; D118-I123 HydrophobicContact CB-CG1 4.09Å; D118-I123 WeakPolarHBondContact O-CD1 3.33Å; D118-K140 PolarHBondContact O-NZ 3.04Å
119	S	98.8	Very high	98.5	Very high	55 Å²	55	60.6 Å²	60.6	39%	0.385	31%	0.309	S	S	.	.			trans	-71.1	158.7	174.3	72.1	0	0	0	0	112.1	K121 E122 I123	S119-K121 PolarHBondContact O-N 3.03Å; S119-E122 VanDerWaalsContact CB-OE2 3.23Å; S119-E122 WeakPolarHBondContact CB-OE2 3.32Å; S119-E122 PolarHBondContact N-OE2 3.4Å; S119-E122 PolarHBondContact O-N 3.32Å; S119-E122 VanDerWaalsContact OG-CD 3.32Å; S119-E122 PolarHBondContact OG-N 2.87Å; S119-E122 PolarHBondContact OG-OE2 3.36Å; S119-I123 VanDerWaalsContact O-CG1 3.31Å; S119-I123 WeakPolarHBondContact O-CG1 3.37Å; S119-I123 PolarHBondContact O-N 2.94Å
120	N	98.8	Very high	98.5	Very high	43 Å²	43	64.3 Å²	64.3	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-52.2	-34.9	175.7	-74.2	-19.4	0	0	0	113.5	I56 E124 S139 K140	I56-N120 HydrophobicContact CG1-CB 3.9Å; I56-N120 WeakPolarHBondContact CG1-O 3.21Å; I56-N120 VanDerWaalsContact O-CB 3.29Å; I56-N120 WeakPolarHBondContact O-CB 3.35Å; N120-E124 WeakPolarHBondContact O-CB 3.19Å; N120-E124 PolarHBondContact O-N 2.75Å; N120-S139 PolarHBondContact ND2-OG 3.46Å; N120-K140 WeakPolarHBondContact OD1-CB 3.39Å; N120-K140 PolarHBondContact OD1-N 2.85Å
121	K	98.8	Very high	98.5	Very high	172 Å²	172	63.5 Å²	63.5	75%	0.748	33%	0.326	S	S	*	.	H	α-helix	trans	-68.9	-42.4	180	-178.2	-177.1	175.5	-173.3	0	111.5	S119 S125	S119-K121 PolarHBondContact O-N 3.03Å; K121-S125 WeakPolarHBondContact O-CB 3.4Å; K121-S125 PolarHBondContact O-N 2.6Å
122	E	98.8	Very high	98.5	Very high	102 Å²	102	61.4 Å²	61.4	48%	0.477	33%	0.327	S	S	.	.	H	α-helix	trans	-68.2	-44.4	177.6	-75.2	154	157.7	0	0	110.7	D118 S119 E124 S125 F126	D118-E122 HydrophobicContact CB-CB 3.83Å; S119-E122 VanDerWaalsContact CB-OE2 3.23Å; S119-E122 WeakPolarHBondContact CB-OE2 3.32Å; S119-E122 PolarHBondContact N-OE2 3.4Å; S119-E122 PolarHBondContact O-N 3.32Å; S119-E122 VanDerWaalsContact OG-CD 3.32Å; S119-E122 PolarHBondContact OG-N 2.87Å; S119-E122 PolarHBondContact OG-OE2 3.36Å; E122-E124 PolarHBondContact O-N 3.42Å; E122-S125 CarbonylContact O-C 3.56Å; E122-S125 WeakPolarHBondContact O-CB 3.46Å; E122-S125 PolarHBondContact O-N 3.06Å; E122-S125 VanDerWaalsContact O-N 3.15Å; E122-F126 WeakPolarHBondContact O-CB 3.33Å; E122-F126 PolarHBondContact O-N 3.39Å
123	I	98.9	Very high	98.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-49.2	174.6	-65.3	163.1	0	0	0	111.3	I56 P108 E116 D118 S119 S125 F126 A127 M137 K140	I56-I123 HydrophobicContact CD1-CB 4.36Å; I56-I123 HydrophobicContact CD1-CG2 3.96Å; P108-I123 HydrophobicContact CB-CD1 4.14Å; P108-I123 HydrophobicContact CB-CG2 4.11Å; P108-I123 HydrophobicContact CG-CG2 3.71Å; E116-I123 HydrophobicContact CG-CD1 3.64Å; E116-I123 HydrophobicContact CG-CG1 4.22Å; E116-I123 WeakPolarHBondContact OE1-CD1 3.35Å; E116-I123 WeakPolarHBondContact OE1-CG1 3.45Å; E116-I123 WeakPolarHBondContact OE1-CG2 3.36Å; D118-I123 HydrophobicContact CB-CG1 4.09Å; D118-I123 WeakPolarHBondContact O-CD1 3.33Å; S119-I123 VanDerWaalsContact O-CG1 3.31Å; S119-I123 WeakPolarHBondContact O-CG1 3.37Å; S119-I123 PolarHBondContact O-N 2.94Å; I123-S125 VanDerWaalsContact C-N 3.32Å; I123-S125 PolarHBondContact O-N 3.01Å; I123-F126 PolarHBondContact O-N 2.79Å; I123-A127 PolarHBondContact O-N 2.93Å; I123-M137 HydrophobicContact CG2-CE 3.83Å; I123-K140 HydrophobicContact CD1-CB 4.37Å; I123-K140 HydrophobicContact CD1-CD 3.97Å
124	E	98.8	Very high	98.5	Very high	23 Å²	23	61.6 Å²	61.6	11%	0.107	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-44.4	176.4	-175	177.1	-162.7	0	0	110.6	I56 R57 N120 E122 F126 R128	I56-E124 HydrophobicContact CD1-CB 3.76Å; I56-E124 HydrophobicContact CG1-CB 4.03Å; I56-E124 HydrophobicContact CG2-CB 4.18Å; I56-E124 HydrophobicContact CG2-CG 4.03Å; R57-E124 IonicContact CZ-OE1 3.36Å; R57-E124 IonicContact NE-OE1 2.99Å; R57-E124 PolarHBondContact NE-OE1 3.28Å; R57-E124 IonicContact NE-OE2 2.77Å; R57-E124 PolarHBondContact NE-OE2 2.85Å; R57-E124 IonicContact NH2-OE1 2.68Å; R57-E124 PolarHBondContact NH2-OE1 3.47Å; R57-E124 VanDerWaalsContact NH2-OE1 3.17Å; N120-E124 WeakPolarHBondContact O-CB 3.19Å; N120-E124 PolarHBondContact O-N 2.75Å; E122-E124 PolarHBondContact O-N 3.42Å; E124-F126 PolarHBondContact O-N 3.34Å; E124-R128 HydrophobicContact CG-CG 4.37Å; E124-R128 VanDerWaalsContact O-CB 3.32Å; E124-R128 WeakPolarHBondContact O-CB 3.46Å; E124-R128 WeakPolarHBondContact O-CG 3.22Å; E124-R128 PolarHBondContact O-N 3Å; E124-R128 IonicContact OE1-CZ 2.86Å; E124-R128 VanDerWaalsContact OE1-CZ 3.25Å; E124-R128 IonicContact OE1-NE 3.17Å; E124-R128 PolarHBondContact OE1-NE 2.79Å; E124-R128 IonicContact OE1-NH2 3.73Å; E124-R128 PolarHBondContact OE1-NH2 3.4Å
125	S	98.7	Very high	98.6	Very high	42 Å²	42	54.6 Å²	54.6	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-41.7	178.2	-178.4	0	0	0	0	111.9	K121 E122 I123 K129	K121-S125 WeakPolarHBondContact O-CB 3.4Å; K121-S125 PolarHBondContact O-N 2.6Å; E122-S125 CarbonylContact O-C 3.56Å; E122-S125 WeakPolarHBondContact O-CB 3.46Å; E122-S125 PolarHBondContact O-N 3.06Å; E122-S125 VanDerWaalsContact O-N 3.15Å; I123-S125 VanDerWaalsContact C-N 3.32Å; I123-S125 PolarHBondContact O-N 3.01Å; S125-K129 WeakPolarHBondContact O-CB 3.19Å; S125-K129 VanDerWaalsContact O-CG 3.29Å; S125-K129 WeakPolarHBondContact O-CG 3.49Å; S125-K129 PolarHBondContact O-N 3.39Å; S125-K129 WeakPolarHBondContact OG-CD 3.34Å; S125-K129 VanDerWaalsContact OG-CE 3.26Å; S125-K129 WeakPolarHBondContact OG-CE 3.2Å; S125-K129 PolarHBondContact OG-NZ 2.84Å
126	F	98.8	Very high	98.6	Very high	57 Å²	57	54.3 Å²	54.3	25%	0.25	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-56.2	178.3	168.4	-96.3	0	0	0	110.6	S78 T83 Y87 E122 I123 E124 R128 K129 T130 Y131	S78-F126 WeakPolarHBondContact OG-CD1 3.44Å; S78-F126 WeakPolarHBondContact OG-CE1 3.29Å; T83-F126 HydrophobicContact CG2-CE1 3.83Å; T83-F126 HydrophobicContact CG2-CZ 3.84Å; Y87-F126 HydrophobicContact CE2-CE1 4.44Å; E122-F126 WeakPolarHBondContact O-CB 3.33Å; E122-F126 PolarHBondContact O-N 3.39Å; I123-F126 PolarHBondContact O-N 2.79Å; E124-F126 PolarHBondContact O-N 3.34Å; F126-R128 VanDerWaalsContact C-N 3.27Å; F126-R128 PolarHBondContact O-N 3.23Å; F126-K129 PolarHBondContact O-N 2.83Å; F126-T130 HydrophobicContact CE2-CG2 4.47Å; F126-T130 WeakPolarHBondContact O-CB 3.48Å; F126-T130 PolarHBondContact O-N 3.42Å; F126-T130 PolarHBondContact O-OG1 3.47Å; F126-T130 VanDerWaalsContact O-OG1 3.06Å; F126-Y131 HydrophobicContact CD1-CE2 4.48Å; F126-Y131 HydrophobicContact CE1-CD2 4.28Å; F126-Y131 AromaticContact CE1-CE2 3.62Å; F126-Y131 HydrophobicContact CE1-CE2 3.62Å; F126-Y131 HydrophobicContact CE2-CE2 4.44Å; F126-Y131 AromaticContact CZ-CE2 3.6Å; F126-Y131 HydrophobicContact CZ-CE2 3.6Å
127	A	98.6	Very high	98.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-41.1	-178.2	0	0	0	0	0	111.9	Y87 I123 Y131 G132 A133 M137	Y87-A127 HydrophobicContact CD1-CB 4.39Å; Y87-A127 HydrophobicContact CE1-CB 3.67Å; I123-A127 PolarHBondContact O-N 2.93Å; A127-Y131 WeakPolarHBondContact O-CB 3.19Å; A127-Y131 PolarHBondContact O-N 2.97Å; A127-G132 PolarHBondContact O-N 2.84Å; A127-A133 HydrophobicContact CB-CB 3.87Å; A127-A133 VanDerWaalsContact O-CB 3.3Å; A127-A133 WeakPolarHBondContact O-CB 3.43Å; A127-A133 PolarHBondContact O-N 3.39Å; A127-A133 VanDerWaalsContact O-N 3.15Å; A127-M137 HydrophobicContact CB-CE 3.67Å; A127-M137 HydrophobicContact CB-SD 3.54Å; A127-M137 VanDerWaalsContact CB-SD 3.54Å
128	R	98.5	Very high	98.6	Very high	88 Å²	88	52 Å²	52	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-73.6	-46	-179.5	-68.5	-174.8	-170.9	-59.6	-1.9	113.3	E124 F126 G132 A133	E124-R128 HydrophobicContact CG-CG 4.37Å; E124-R128 VanDerWaalsContact O-CB 3.32Å; E124-R128 WeakPolarHBondContact O-CB 3.46Å; E124-R128 WeakPolarHBondContact O-CG 3.22Å; E124-R128 PolarHBondContact O-N 3Å; E124-R128 IonicContact OE1-CZ 2.86Å; E124-R128 VanDerWaalsContact OE1-CZ 3.25Å; E124-R128 IonicContact OE1-NE 3.17Å; E124-R128 PolarHBondContact OE1-NE 2.79Å; E124-R128 IonicContact OE1-NH2 3.73Å; E124-R128 PolarHBondContact OE1-NH2 3.4Å; F126-R128 VanDerWaalsContact C-N 3.27Å; F126-R128 PolarHBondContact O-N 3.23Å; R128-G132 WeakPolarHBondContact O-CA 3.43Å; R128-G132 PolarHBondContact O-N 3.05Å; R128-A133 PolarHBondContact NH1-O 2.84Å
129	K	98.5	Very high	98.6	Very high	174 Å²	174	49.9 Å²	49.9	76%	0.757	27%	0.265	S	S	*	.	H	α-helix	trans	-75.6	-38.5	-176.3	-70.1	180	-179.2	165.7	0	112.4	S125 F126	S125-K129 WeakPolarHBondContact O-CB 3.19Å; S125-K129 VanDerWaalsContact O-CG 3.29Å; S125-K129 WeakPolarHBondContact O-CG 3.49Å; S125-K129 PolarHBondContact O-N 3.39Å; S125-K129 WeakPolarHBondContact OG-CD 3.34Å; S125-K129 VanDerWaalsContact OG-CE 3.26Å; S125-K129 WeakPolarHBondContact OG-CE 3.2Å; S125-K129 PolarHBondContact OG-NZ 2.84Å; F126-K129 PolarHBondContact O-N 2.83Å
130	T	98.5	Very high	98.6	Very high	79 Å²	79	50.4 Å²	50.4	49%	0.485	26%	0.26	S	S	.	.	H	α-helix	trans	-81.9	-41.6	-175.5	-52	0	0	0	0	111.7	F126	F126-T130 HydrophobicContact CE2-CG2 4.47Å; F126-T130 WeakPolarHBondContact O-CB 3.48Å; F126-T130 PolarHBondContact O-N 3.42Å; F126-T130 PolarHBondContact O-OG1 3.47Å; F126-T130 VanDerWaalsContact O-OG1 3.06Å
131	Y	98.4	Very high	98.6	Very high	32 Å²	32	50 Å²	50	13%	0.125	26%	0.259	C	S	.	.	H	α-helix	trans	-116.1	-5.4	-171.5	-57.9	-71.4	0	0	0	114.3	T83 D84 Y87 K88 F126 A127 A133	T83-Y131 HydrophobicContact CG2-CE2 4.2Å; D84-Y131 WeakPolarHBondContact CA-OH 3.34Å; D84-Y131 WeakPolarHBondContact OD1-CE1 3.43Å; D84-Y131 PolarHBondContact OD1-OH 3.19Å; Y87-Y131 HydrophobicContact CD1-CD2 4.06Å; Y87-Y131 HydrophobicContact CD1-CG 4.47Å; Y87-Y131 HydrophobicContact CD2-CD2 4.3Å; Y87-Y131 HydrophobicContact CD2-CE2 4.17Å; Y87-Y131 AromaticContact CG-CD2 3.74Å; Y87-Y131 HydrophobicContact CG-CD2 3.74Å; Y87-Y131 HydrophobicContact CG-CE2 4.03Å; Y87-Y131 HydrophobicContact CG-CG 4.18Å; K88-Y131 HydrophobicContact CG-CD1 3.9Å; K88-Y131 HydrophobicContact CG-CE1 4.14Å; F126-Y131 HydrophobicContact CD1-CE2 4.48Å; F126-Y131 HydrophobicContact CE1-CD2 4.28Å; F126-Y131 AromaticContact CE1-CE2 3.62Å; F126-Y131 HydrophobicContact CE1-CE2 3.62Å; F126-Y131 HydrophobicContact CE2-CE2 4.44Å; F126-Y131 AromaticContact CZ-CE2 3.6Å; F126-Y131 HydrophobicContact CZ-CE2 3.6Å; A127-Y131 WeakPolarHBondContact O-CB 3.19Å; A127-Y131 PolarHBondContact O-N 2.97Å; Y131-A133 PolarHBondContact O-N 2.97Å
132	G	98.4	Very high	98.6	Very high	42 Å²	42	43.1 Å²	43.1	43%	0.433	23%	0.234	S	C	.	.			trans	65.8	28.4	-174	0	0	0	0	0	112.6	Q91 A127 R128 S134	Q91-G132 VanDerWaalsContact CD-O 3.26Å; Q91-G132 PolarHBondContact NE2-O 2.78Å; Q91-G132 VanDerWaalsContact NE2-O 3.11Å; A127-G132 PolarHBondContact O-N 2.84Å; R128-G132 WeakPolarHBondContact O-CA 3.43Å; R128-G132 PolarHBondContact O-N 3.05Å; G132-S134 PolarHBondContact O-N 2.83Å; G132-S134 VanDerWaalsContact O-N 3.11Å
133	A	98.2	Very high	98.6	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	21%	0.211	C	C	.	.			trans	-54.1	117	-176.3	0	0	0	0	0	111.4	Q91 A127 R128 Y131 F135	Q91-A133 VanDerWaalsContact OE1-CA 3.32Å; A127-A133 HydrophobicContact CB-CB 3.87Å; A127-A133 VanDerWaalsContact O-CB 3.3Å; A127-A133 WeakPolarHBondContact O-CB 3.43Å; A127-A133 PolarHBondContact O-N 3.39Å; A127-A133 VanDerWaalsContact O-N 3.15Å; R128-A133 PolarHBondContact NH1-O 2.84Å; Y131-A133 PolarHBondContact O-N 2.97Å; A133-F135 HydrophobicContact CB-CE1 4.04Å; A133-F135 HydrophobicContact CB-CE2 4.24Å; A133-F135 HydrophobicContact CB-CZ 3.87Å
134	S	98.1	Very high	98.5	Very high	72 Å²	72	39.3 Å²	39.3	50%	0.503	22%	0.219	S	C	.	.			trans	-107.7	-9.4	178.8	64.2	0	0	0	0	113	Q91 G132	Q91-S134 PolarHBondContact NE2-OG 2.56Å; Q91-S134 PolarHBondContact OE1-OG 2.76Å; G132-S134 PolarHBondContact O-N 2.83Å; G132-S134 VanDerWaalsContact O-N 3.11Å
135	F	98.6	Very high	98.5	Very high	2 Å²	2	40 Å²	40	1%	0.009	23%	0.233	C	C	.	.	S	Bend	trans	-74.2	158	177.5	48.1	-102.2	0	0	0	113.2	Y87 L90 Q91 Q94 V104 A106 A133 M137	Y87-F135 AromaticContact CD1-CZ 3.83Å; Y87-F135 HydrophobicContact CD1-CZ 3.83Å; Y87-F135 HydrophobicContact CE1-CE2 4.29Å; Y87-F135 AromaticContact CE1-CZ 3.9Å; Y87-F135 HydrophobicContact CE1-CZ 3.9Å; L90-F135 HydrophobicContact CB-CE1 4.07Å; L90-F135 HydrophobicContact CB-CZ 4.43Å; Q91-F135 HydrophobicContact CB-CE1 4.18Å; Q94-F135 HydrophobicContact CB-CB 4.35Å; Q94-F135 HydrophobicContact CB-CD1 4.07Å; Q94-F135 HydrophobicContact CG-CB 3.83Å; Q94-F135 HydrophobicContact CG-CD1 4.32Å; V104-F135 HydrophobicContact CB-CB 3.72Å; V104-F135 HydrophobicContact CB-CD1 4.1Å; V104-F135 HydrophobicContact CB-CD2 4.3Å; V104-F135 HydrophobicContact CB-CG 3.8Å; V104-F135 HydrophobicContact CG1-CB 4.33Å; V104-F135 HydrophobicContact CG1-CD1 4.24Å; V104-F135 HydrophobicContact CG1-CD2 3.96Å; V104-F135 HydrophobicContact CG1-CE2 4.29Å; V104-F135 HydrophobicContact CG1-CG 3.93Å; A106-F135 HydrophobicContact CB-CD2 3.91Å; A106-F135 HydrophobicContact CB-CE2 3.61Å; A133-F135 HydrophobicContact CB-CE1 4.04Å; A133-F135 HydrophobicContact CB-CE2 4.24Å; A133-F135 HydrophobicContact CB-CZ 3.87Å; F135-M137 HydrophobicContact CD2-CG 4.24Å; F135-M137 HydrophobicContact CE2-CG 4.21Å; F135-M137 PolarHBondContact O-N 3.03Å
136	P	98.5	Very high	98.3	Very high	32 Å²	32	42.8 Å²	42.8	21%	0.208	26%	0.258	C	S	.	.			trans	-55.7	131.7	170.8	-25.6	31.6	0	0	0	113.9	Y66 V104 L105 A106 F138	Y66-P136 HydrophobicContact CE1-CB 4.5Å; Y66-P136 HydrophobicContact CE1-CG 3.77Å; Y66-P136 WeakPolarHBondContact OH-CB 3.5Å; Y66-P136 VanDerWaalsContact OH-CG 3.24Å; Y66-P136 WeakPolarHBondContact OH-CG 3.32Å; V104-P136 VanDerWaalsContact O-CD 3.3Å; V104-P136 WeakPolarHBondContact O-CD 3.18Å; L105-P136 HydrophobicContact CD2-CB 3.99Å; L105-P136 HydrophobicContact CD2-CG 4.02Å; A106-P136 PolarHBondContact N-O 2.75Å; P136-F138 HydrophobicContact CB-CE2 4.3Å; P136-F138 HydrophobicContact CB-CZ 4.3Å
137	M	98.8	Very high	98.2	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.034	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-119.1	145.5	169.6	-58.8	-177.3	76.7	0	0	110.3	I56 A106 P108 I123 A127 F135	I56-M137 HydrophobicContact CB-CB 4.01Å; I56-M137 WeakPolarHBondContact CB-O 3.4Å; I56-M137 HydrophobicContact CD1-CB 3.67Å; I56-M137 HydrophobicContact CD1-CE 3.9Å; I56-M137 HydrophobicContact CD1-SD 4.12Å; I56-M137 HydrophobicContact CG1-CB 4.46Å; I56-M137 HydrophobicContact CG2-CB 4.08Å; I56-M137 PolarHBondContact N-O 3.37Å; A106-M137 HydrophobicContact CB-CG 4.2Å; A106-M137 WeakPolarHBondContact O-CA 3.28Å; P108-M137 HydrophobicContact CG-CE 4.27Å; I123-M137 HydrophobicContact CG2-CE 3.83Å; A127-M137 HydrophobicContact CB-CE 3.67Å; A127-M137 HydrophobicContact CB-SD 3.54Å; A127-M137 VanDerWaalsContact CB-SD 3.54Å; F135-M137 HydrophobicContact CD2-CG 4.24Å; F135-M137 HydrophobicContact CE2-CG 4.21Å; F135-M137 PolarHBondContact O-N 3.03Å
138	F	98.9	Very high	98.2	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.013	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-108.6	169	-179.8	-60.9	-79.6	0	0	0	111.6	V53 V54 N55 V61 L63 Y66 L105 A106 F107 P108 P136	V53-F138 HydrophobicContact CB-CD1 4.15Å; V53-F138 HydrophobicContact CG2-CD1 3.28Å; V53-F138 HydrophobicContact CG2-CE1 3.24Å; V53-F138 HydrophobicContact CG2-CG 4.19Å; V53-F138 HydrophobicContact CG2-CZ 4.13Å; V54-F138 WeakPolarHBondContact O-CB 3.28Å; N55-F138 HydrophobicContact CB-CD1 4.47Å; V61-F138 HydrophobicContact CG2-CD1 4.44Å; V61-F138 HydrophobicContact CG2-CE1 3.94Å; L63-F138 HydrophobicContact CD2-CE1 4.06Å; L63-F138 HydrophobicContact CD2-CZ 3.82Å; Y66-F138 HydrophobicContact CE2-CZ 4.02Å; L105-F138 HydrophobicContact CB-CE2 3.88Å; L105-F138 HydrophobicContact CD2-CE2 4.05Å; L105-F138 HydrophobicContact CD2-CZ 4.18Å; L105-F138 HydrophobicContact CG-CE2 4.45Å; A106-F138 WeakPolarHBondContact O-CD2 3.45Å; A106-F138 PolarHBondContact O-N 2.81Å; F107-F138 HydrophobicContact CD1-CB 3.6Å; F107-F138 AromaticContact CD1-CD2 3.96Å; F107-F138 HydrophobicContact CD1-CD2 3.96Å; F107-F138 AromaticContact CD1-CG 3.95Å; F107-F138 HydrophobicContact CD1-CG 3.95Å; F107-F138 AromaticContact CD2-CD2 3.84Å; F107-F138 HydrophobicContact CD2-CD2 3.84Å; F107-F138 HydrophobicContact CD2-CE2 4.44Å; F107-F138 HydrophobicContact CE1-CB 3.67Å; F107-F138 HydrophobicContact CE1-CD1 4.26Å; F107-F138 AromaticContact CE1-CD2 3.62Å; F107-F138 HydrophobicContact CE1-CD2 3.62Å; F107-F138 HydrophobicContact CE1-CE2 4.37Å; F107-F138 AromaticContact CE1-CG 3.55Å; F107-F138 HydrophobicContact CE1-CG 3.55Å; F107-F138 AromaticContact CE2-CD2 3.48Å; F107-F138 HydrophobicContact CE2-CD2 3.48Å; F107-F138 VanDerWaalsContact CE2-CD2 3.48Å; F107-F138 AromaticContact CE2-CE2 3.74Å; F107-F138 HydrophobicContact CE2-CE2 3.74Å; F107-F138 HydrophobicContact CE2-CG 4.29Å; F107-F138 HydrophobicContact CG-CB 4.22Å; F107-F138 HydrophobicContact CG-CD2 4.06Å; F107-F138 HydrophobicContact CG-CG 4.47Å; F107-F138 HydrophobicContact CZ-CB 4.34Å; F107-F138 HydrophobicContact CZ-CD1 4.37Å; F107-F138 AromaticContact CZ-CD2 3.36Å; F107-F138 HydrophobicContact CZ-CD2 3.36Å; F107-F138 AromaticContact CZ-CE2 3.71Å; F107-F138 HydrophobicContact CZ-CE2 3.71Å; F107-F138 AromaticContact CZ-CG 3.75Å; F107-F138 HydrophobicContact CZ-CG 3.75Å; F107-F138 HydrophobicContact CZ-CZ 4.32Å; P108-F138 VanDerWaalsContact CD-O 3.24Å; P108-F138 WeakPolarHBondContact CD-O 3.24Å; P136-F138 HydrophobicContact CB-CE2 4.3Å; P136-F138 HydrophobicContact CB-CZ 4.3Å
139	S	98.8	Very high	98.1	Very high	19 Å²	19	40.1 Å²	40.1	13%	0.133	27%	0.265	C	S	.	.			trans	-62.8	145.6	173.9	-78.5	0	0	0	0	110	V54 N55 N120 T141	V54-S139 WeakPolarHBondContact CG1-OG 3.48Å; V54-S139 PolarHBondContact O-N 3.21Å; N55-S139 PolarHBondContact O-N 2.86Å; N55-S139 PolarHBondContact O-OG 2.84Å; N120-S139 PolarHBondContact ND2-OG 3.46Å; S139-T141 PolarHBondContact O-N 3.33Å
140	K	98.8	Very high	98.1	Very high	66 Å²	66	35.8 Å²	35.8	29%	0.287	26%	0.255	S	S	.	.			trans	-52.1	127.3	171.5	-171.7	164.5	75.3	-179.4	0	110.5	P108 N110 E116 P117 D118 N120 I123	P108-K140 HydrophobicContact CB-CB 4.15Å; P108-K140 HydrophobicContact CB-CG 4.32Å; P108-K140 CarbonylContact O-C 3.59Å; P108-K140 VanDerWaalsContact O-CA 3.28Å; P108-K140 WeakPolarHBondContact O-CA 3.29Å; N110-K140 HydrophobicContact CB-CD 4.18Å; E116-K140 HydrophobicContact CB-CD 4.26Å; E116-K140 HydrophobicContact CG-CD 3.79Å; E116-K140 HydrophobicContact CG-CG 4.46Å; E116-K140 WeakPolarHBondContact O-CD 3.47Å; E116-K140 WeakPolarHBondContact O-CE 3.41Å; E116-K140 PolarHBondContact O-NZ 3.5Å; P117-K140 PolarHBondContact O-NZ 2.81Å; D118-K140 PolarHBondContact O-NZ 3.04Å; N120-K140 WeakPolarHBondContact OD1-CB 3.39Å; N120-K140 PolarHBondContact OD1-N 2.85Å; I123-K140 HydrophobicContact CD1-CB 4.37Å; I123-K140 HydrophobicContact CD1-CD 3.97Å
141	T	98.5	Very high	98.1	Very high	34 Å²	34	32.1 Å²	32.1	21%	0.209	23%	0.233	C	C	.	.			trans	-148.9	165.5	-168.8	-157.1	0	0	0	0	112.7	F107 P108 C109 S139 V143 I149	F107-T141 HydrophobicContact CD1-CG2 4.15Å; P108-T141 PolarHBondContact O-N 3.35Å; C109-T141 PolarHBondContact SG-O 3.48Å; S139-T141 PolarHBondContact O-N 3.33Å; T141-V143 HydrophobicContact CG2-CG1 4.01Å; T141-I149 HydrophobicContact CG2-CD1 4.03Å; T141-I149 HydrophobicContact CG2-CG1 4.38Å; T141-I149 HydrophobicContact CG2-CG2 4.43Å; T141-I149 WeakPolarHBondContact OG1-CG2 3.48Å
142	A	98.4	Very high	98.2	Very high	27 Å²	27	30.7 Å²	30.7	22%	0.223	23%	0.227	C	C	.	.			trans	-84.1	133.1	169.8	0	0	0	0	0	109.7	G147 A148 I149	A142-G147 WeakPolarHBondContact CB-O 3.48Å; A142-A148 WeakPolarHBondContact O-CA 3.3Å; A142-I149 PolarHBondContact O-N 3.42Å
143	V	98.6	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	22%	0.223	C	C	.	.			trans	-119	-11	-176	-55.1	0	0	0	0	112.9	N75 C109 F112 T141 F152 I156 P163	N75-V143 HydrophobicContact CB-CB 4.44Å; N75-V143 HydrophobicContact CB-CG1 4.12Å; N75-V143 HydrophobicContact CB-CG2 4.02Å; C109-V143 HydrophobicContact CB-CG1 4.1Å; C109-V143 HydrophobicContact CB-CG2 4.18Å; F112-V143 HydrophobicContact CE2-CG2 3.56Å; F112-V143 HydrophobicContact CZ-CG2 3.82Å; T141-V143 HydrophobicContact CG2-CG1 4.01Å; V143-F152 HydrophobicContact CB-CB 4.45Å; V143-F152 HydrophobicContact CB-CD1 3.57Å; V143-F152 HydrophobicContact CB-CD2 4.07Å; V143-F152 HydrophobicContact CB-CE1 3.68Å; V143-F152 HydrophobicContact CB-CE2 4.18Å; V143-F152 HydrophobicContact CB-CG 3.75Å; V143-F152 HydrophobicContact CB-CZ 3.99Å; V143-F152 HydrophobicContact CG1-CD1 4.13Å; V143-F152 HydrophobicContact CG1-CD2 3.8Å; V143-F152 HydrophobicContact CG1-CE1 3.97Å; V143-F152 HydrophobicContact CG1-CE2 3.63Å; V143-F152 HydrophobicContact CG1-CG 4.04Å; V143-F152 HydrophobicContact CG1-CZ 3.71Å; V143-F152 HydrophobicContact CG2-CE1 4.47Å; V143-I156 WeakPolarHBondContact O-CD1 3.41Å; V143-P163 HydrophobicContact CG2-CB 4.2Å; V143-P163 HydrophobicContact CG2-CG 4.22Å
144	S	98.1	Very high	98.2	Very high	22 Å²	22	34 Å²	34	15%	0.154	23%	0.228	C	C	.	.	S	Bend	trans	-132.7	157.3	179.3	160.8	0	0	0	0	111.4	Q111 E162	Q111-S144 PolarHBondContact NE2-O 2.62Å; Q111-S144 VanDerWaalsContact OE1-N 3.12Å; S144-E162 WeakPolarHBondContact CA-OE1 3.35Å; S144-E162 WeakPolarHBondContact CB-OE1 3.38Å; S144-E162 PolarHBondContact OG-OE1 3.47Å
145	G	97.1	Very high	98.2	Very high	39 Å²	39	30.5 Å²	30.5	40%	0.402	20%	0.204	S	C	.	.	S	Bend	trans	73.2	-168.4	177.4	0	0	0	0	0	113.6	G147 A148 E162	G145-G147 PolarHBondContact O-N 3.04Å; G145-A148 VanDerWaalsContact O-CB 3.29Å; G145-A148 WeakPolarHBondContact O-CB 3.41Å; G145-A148 PolarHBondContact O-N 3.25Å; G145-E162 PolarHBondContact N-OE1 2.91Å
146	A	96.1	Very high	98.2	Very high	100 Å²	100	31.6 Å²	31.6	83%	0.826	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	179.8	0	0	0	0	0	113.1	K153	A146-K153 PolarHBondContact O-NZ 3.07Å
147	G	95.1	Very high	98.2	Very high	53 Å²	53	36.3 Å²	36.3	55%	0.546	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.8	178.6	0	0	0	0	0	115.3	A142 G145 I149	A142-G147 WeakPolarHBondContact CB-O 3.48Å; G145-G147 PolarHBondContact O-N 3.04Å; G147-I149 PolarHBondContact O-N 2.7Å
148	A	98.3	Very high	98.1	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	25%	0.25	C	S	.	.			trans	-54.5	136.6	-179.7	0	0	0	0	0	111.6	A142 G145 K153	A142-A148 WeakPolarHBondContact O-CA 3.3Å; G145-A148 VanDerWaalsContact O-CB 3.29Å; G145-A148 WeakPolarHBondContact O-CB 3.41Å; G145-A148 PolarHBondContact O-N 3.25Å; A148-K153 HydrophobicContact CB-CG 3.88Å; A148-K153 VanDerWaalsContact O-CE 3.24Å; A148-K153 WeakPolarHBondContact O-CE 3.13Å; A148-K153 PolarHBondContact O-NZ 3.29Å
149	I	98.4	Very high	98.1	Very high	34 Å²	34	40.5 Å²	40.5	17%	0.174	26%	0.262	C	S	.	.			trans	-64.5	154.1	176.3	59.5	166.8	0	0	0	111.3	V53 F107 T141 A142 G147 A151 F152 K153	V53-I149 HydrophobicContact CG1-CD1 4.1Å; F107-I149 HydrophobicContact CD1-CD1 4.25Å; F107-I149 HydrophobicContact CE1-CD1 4.02Å; T141-I149 HydrophobicContact CG2-CD1 4.03Å; T141-I149 HydrophobicContact CG2-CG1 4.38Å; T141-I149 HydrophobicContact CG2-CG2 4.43Å; T141-I149 WeakPolarHBondContact OG1-CG2 3.48Å; A142-I149 PolarHBondContact O-N 3.42Å; G147-I149 PolarHBondContact O-N 2.7Å; I149-A151 HydrophobicContact CD1-CB 4.14Å; I149-A151 HydrophobicContact CG1-CB 4.44Å; I149-A151 PolarHBondContact O-N 2.83Å; I149-A151 VanDerWaalsContact O-N 3.1Å; I149-F152 HydrophobicContact CD1-CD2 4.19Å; I149-F152 HydrophobicContact CG1-CB 4.11Å; I149-F152 HydrophobicContact CG1-CD2 4.05Å; I149-F152 PolarHBondContact O-N 2.91Å; I149-K153 PolarHBondContact O-N 3.48Å
150	P	98.4	Very high	98	Very high	83 Å²	83	42.8 Å²	42.8	54%	0.539	29%	0.288	S	S	.	.	H	α-helix	trans	-52.6	-37	-178.3	-29.5	36.3	0	0	0	114.3	F51 F152 K153 Y154	F51-P150 HydrophobicContact CD1-CB 3.91Å; F51-P150 HydrophobicContact CE1-CB 3.85Å; P150-F152 PolarHBondContact O-N 3.2Å; P150-K153 PolarHBondContact O-N 2.99Å; P150-Y154 PolarHBondContact O-N 3.02Å
151	A	98.6	Very high	98	Very high	2 Å²	2	44 Å²	44	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-41	176.9	0	0	0	0	0	112.5	F48 F51 V53 L63 I149 L155	F48-A151 HydrophobicContact CE2-CB 4.13Å; F51-A151 HydrophobicContact CB-CB 3.98Å; F51-A151 HydrophobicContact CD2-CB 4.1Å; F51-A151 HydrophobicContact CG-CB 4.05Å; V53-A151 HydrophobicContact CG1-CB 4.11Å; L63-A151 HydrophobicContact CD1-CB 4.42Å; I149-A151 HydrophobicContact CD1-CB 4.14Å; I149-A151 HydrophobicContact CG1-CB 4.44Å; I149-A151 PolarHBondContact O-N 2.83Å; I149-A151 VanDerWaalsContact O-N 3.1Å; A151-L155 WeakPolarHBondContact O-CG 3.31Å; A151-L155 PolarHBondContact O-N 3.06Å
152	F	98.7	Very high	98	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-75.6	-36.5	176.5	-99.7	-90.6	0	0	0	112.3	V73 N75 F107 V143 I149 P150 Y154 L155 I156 P163 Y170	V73-F152 HydrophobicContact CG1-CE2 4.26Å; V73-F152 HydrophobicContact CG1-CZ 4.14Å; N75-F152 HydrophobicContact CB-CE1 4.39Å; N75-F152 HydrophobicContact CB-CZ 4.1Å; F107-F152 HydrophobicContact CB-CE2 3.74Å; F107-F152 HydrophobicContact CB-CZ 4.19Å; F107-F152 HydrophobicContact CD1-CE2 4.06Å; F107-F152 AromaticContact CD2-CE2 3.8Å; F107-F152 HydrophobicContact CD2-CE2 3.8Å; F107-F152 HydrophobicContact CD2-CZ 4.39Å; F107-F152 HydrophobicContact CE2-CE2 4.4Å; F107-F152 AromaticContact CG-CE2 3.61Å; F107-F152 HydrophobicContact CG-CE2 3.61Å; F107-F152 HydrophobicContact CG-CZ 4.38Å; V143-F152 HydrophobicContact CB-CB 4.45Å; V143-F152 HydrophobicContact CB-CD1 3.57Å; V143-F152 HydrophobicContact CB-CD2 4.07Å; V143-F152 HydrophobicContact CB-CE1 3.68Å; V143-F152 HydrophobicContact CB-CE2 4.18Å; V143-F152 HydrophobicContact CB-CG 3.75Å; V143-F152 HydrophobicContact CB-CZ 3.99Å; V143-F152 HydrophobicContact CG1-CD1 4.13Å; V143-F152 HydrophobicContact CG1-CD2 3.8Å; V143-F152 HydrophobicContact CG1-CE1 3.97Å; V143-F152 HydrophobicContact CG1-CE2 3.63Å; V143-F152 HydrophobicContact CG1-CG 4.04Å; V143-F152 HydrophobicContact CG1-CZ 3.71Å; V143-F152 HydrophobicContact CG2-CE1 4.47Å; I149-F152 HydrophobicContact CD1-CD2 4.19Å; I149-F152 HydrophobicContact CG1-CB 4.11Å; I149-F152 HydrophobicContact CG1-CD2 4.05Å; I149-F152 PolarHBondContact O-N 2.91Å; P150-F152 PolarHBondContact O-N 3.2Å; F152-Y154 VanDerWaalsContact C-N 3.28Å; F152-Y154 PolarHBondContact O-N 3Å; F152-L155 HydrophobicContact CD1-CD1 4.2Å; F152-L155 HydrophobicContact CE1-CD1 4.3Å; F152-L155 HydrophobicContact CG-CD1 4.39Å; F152-L155 WeakPolarHBondContact O-CB 3.33Å; F152-L155 PolarHBondContact O-N 3.42Å; F152-I156 VanDerWaalsContact O-CG1 3.25Å; F152-I156 WeakPolarHBondContact O-CG1 3.47Å; F152-I156 PolarHBondContact O-N 3.47Å; F152-P163 HydrophobicContact CD1-CG 4.26Å; F152-P163 HydrophobicContact CE1-CG 4.18Å; F152-Y170 HydrophobicContact CE1-CD2 4.46Å; F152-Y170 HydrophobicContact CE1-CE2 4.07Å
153	K	98.6	Very high	98	Very high	80 Å²	80	45 Å²	45	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-54.7	-46.5	171.7	-72.6	-179.9	166.1	126.5	0	111.2	A146 A148 I149 P150 L155 I156 D157	A146-K153 PolarHBondContact O-NZ 3.07Å; A148-K153 HydrophobicContact CB-CG 3.88Å; A148-K153 VanDerWaalsContact O-CE 3.24Å; A148-K153 WeakPolarHBondContact O-CE 3.13Å; A148-K153 PolarHBondContact O-NZ 3.29Å; I149-K153 PolarHBondContact O-N 3.48Å; P150-K153 PolarHBondContact O-N 2.99Å; K153-L155 VanDerWaalsContact C-N 3.33Å; K153-L155 PolarHBondContact O-N 2.94Å; K153-I156 PolarHBondContact O-N 3.02Å; K153-D157 WeakPolarHBondContact O-CB 3.22Å; K153-D157 PolarHBondContact O-N 2.84Å
154	Y	98.5	Very high	98	Very high	35 Å²	35	50 Å²	50	14%	0.137	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-40.5	174.8	175.7	-91.7	0	0	0	113.3	F48 F51 P150 F152 S158 G176 V178	F48-Y154 HydrophobicContact CB-CD1 3.97Å; F48-Y154 HydrophobicContact CB-CE1 3.74Å; F48-Y154 HydrophobicContact CD2-CD1 4.36Å; F51-Y154 VanDerWaalsContact CE2-CB 3.44Å; F51-Y154 HydrophobicContact CE2-CD1 4.11Å; F51-Y154 HydrophobicContact CE2-CD2 4.07Å; F51-Y154 AromaticContact CE2-CG 3.61Å; F51-Y154 HydrophobicContact CE2-CG 3.61Å; F51-Y154 HydrophobicContact CZ-CD2 4.23Å; F51-Y154 HydrophobicContact CZ-CG 4.05Å; P150-Y154 PolarHBondContact O-N 3.02Å; F152-Y154 VanDerWaalsContact C-N 3.28Å; F152-Y154 PolarHBondContact O-N 3Å; Y154-S158 VanDerWaalsContact O-CB 3.22Å; Y154-S158 WeakPolarHBondContact O-CB 3.27Å; Y154-S158 PolarHBondContact O-N 2.84Å; Y154-S158 PolarHBondContact O-OG 2.99Å; Y154-G176 PolarHBondContact OH-O 3.05Å; Y154-V178 HydrophobicContact CD1-CG2 4.17Å; Y154-V178 HydrophobicContact CE1-CG2 3.68Å
155	L	98.7	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-47.4	176.3	-65.8	176.4	0	0	0	111.2	F48 V73 A151 F152 K153 S158 T159 Y170 V172 V178	F48-L155 HydrophobicContact CD2-CD1 4.35Å; F48-L155 HydrophobicContact CD2-CD2 3.56Å; F48-L155 HydrophobicContact CD2-CG 3.92Å; F48-L155 HydrophobicContact CE2-CD1 3.85Å; F48-L155 HydrophobicContact CE2-CD2 3.88Å; F48-L155 HydrophobicContact CE2-CG 3.92Å; F48-L155 HydrophobicContact CG-CD2 4.27Å; V73-L155 HydrophobicContact CB-CD1 4.04Å; V73-L155 HydrophobicContact CG1-CD1 3.74Å; V73-L155 HydrophobicContact CG2-CD1 4.38Å; A151-L155 WeakPolarHBondContact O-CG 3.31Å; A151-L155 PolarHBondContact O-N 3.06Å; F152-L155 HydrophobicContact CD1-CD1 4.2Å; F152-L155 HydrophobicContact CE1-CD1 4.3Å; F152-L155 HydrophobicContact CG-CD1 4.39Å; F152-L155 WeakPolarHBondContact O-CB 3.33Å; F152-L155 PolarHBondContact O-N 3.42Å; K153-L155 VanDerWaalsContact C-N 3.33Å; K153-L155 PolarHBondContact O-N 2.94Å; L155-S158 PolarHBondContact O-N 3.25Å; L155-T159 PolarHBondContact O-N 3.15Å; L155-T159 PolarHBondContact O-OG1 3.42Å; L155-T159 VanDerWaalsContact O-OG1 3.08Å; L155-Y170 HydrophobicContact CB-CD1 3.78Å; L155-Y170 HydrophobicContact CB-CD2 4.46Å; L155-Y170 HydrophobicContact CB-CE1 3.95Å; L155-Y170 HydrophobicContact CB-CG 4.05Å; L155-Y170 HydrophobicContact CD1-CD2 3.93Å; L155-Y170 HydrophobicContact CD1-CG 3.93Å; L155-Y170 HydrophobicContact CD2-CD1 4.49Å; L155-Y170 HydrophobicContact CD2-CG 4.32Å; L155-Y170 HydrophobicContact CG-CD1 4.47Å; L155-Y170 HydrophobicContact CG-CG 4.31Å; L155-V172 HydrophobicContact CD2-CG2 3.94Å; L155-V178 HydrophobicContact CD2-CG1 4.35Å; L155-V178 HydrophobicContact CD2-CG2 3.59Å
156	I	98.6	Very high	98.1	Very high	24 Å²	24	51.8 Å²	51.8	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-49.8	179.4	-62.8	164.5	0	0	0	110.5	V143 F152 K153 S158 T159 G160 E162	V143-I156 WeakPolarHBondContact O-CD1 3.41Å; F152-I156 VanDerWaalsContact O-CG1 3.25Å; F152-I156 WeakPolarHBondContact O-CG1 3.47Å; F152-I156 PolarHBondContact O-N 3.47Å; K153-I156 PolarHBondContact O-N 3.02Å; I156-S158 VanDerWaalsContact C-N 3.25Å; I156-S158 PolarHBondContact O-N 2.9Å; I156-T159 PolarHBondContact O-N 3.46Å; I156-G160 WeakPolarHBondContact O-CA 3.48Å; I156-G160 PolarHBondContact O-N 3.32Å; I156-E162 HydrophobicContact CD1-CG 4.02Å; I156-E162 HydrophobicContact CG1-CG 4.49Å; I156-E162 HydrophobicContact CG2-CB 4.04Å
157	D	97.9	Very high	98.2	Very high	132 Å²	132	47 Å²	47	71%	0.706	28%	0.275	S	S	*	.	H	α-helix	trans	-63.3	-33.8	-179.2	-65.3	-21.5	0	0	0	111.7	K153	K153-D157 WeakPolarHBondContact O-CB 3.22Å; K153-D157 PolarHBondContact O-N 2.84Å
158	S	98	Very high	98.4	Very high	57 Å²	57	45.2 Å²	45.2	40%	0.399	25%	0.252	S	S	.	.	H	α-helix	trans	-72.6	-30.2	179.4	-63.5	0	0	0	0	113.2	Y154 L155 I156	Y154-S158 VanDerWaalsContact O-CB 3.22Å; Y154-S158 WeakPolarHBondContact O-CB 3.27Å; Y154-S158 PolarHBondContact O-N 2.84Å; Y154-S158 PolarHBondContact O-OG 2.99Å; L155-S158 PolarHBondContact O-N 3.25Å; I156-S158 VanDerWaalsContact C-N 3.25Å; I156-S158 PolarHBondContact O-N 2.9Å
159	T	97.7	Very high	98.4	Very high	41 Å²	41	45.1 Å²	45.1	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-110.1	-18.3	-174.6	61.5	0	0	0	0	113.7	L155 I156 E161 Y170 V178 A181	L155-T159 PolarHBondContact O-N 3.15Å; L155-T159 PolarHBondContact O-OG1 3.42Å; L155-T159 VanDerWaalsContact O-OG1 3.08Å; I156-T159 PolarHBondContact O-N 3.46Å; T159-E161 PolarHBondContact O-N 2.83Å; T159-E161 WeakPolarHBondContact OG1-CB 3.39Å; T159-E161 PolarHBondContact OG1-N 2.94Å; T159-Y170 HydrophobicContact CG2-CD1 4.24Å; T159-Y170 HydrophobicContact CG2-CE1 4.49Å; T159-V178 HydrophobicContact CG2-CB 4.15Å; T159-V178 HydrophobicContact CG2-CG1 3.44Å; T159-V178 VanDerWaalsContact CG2-CG1 3.44Å; T159-A181 HydrophobicContact CG2-CB 4.11Å
160	G	97.9	Very high	98.4	Very high	67 Å²	67	43.5 Å²	43.5	69%	0.691	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	11.5	-166.7	0	0	0	0	0	113.5	I156	I156-G160 WeakPolarHBondContact O-CA 3.48Å; I156-G160 PolarHBondContact O-N 3.32Å
161	E	98.1	Very high	98.5	Very high	92 Å²	92	39.6 Å²	39.6	43%	0.43	22%	0.217	S	C	.	.			trans	-116.9	113.7	-170.6	-61.9	-68.4	172	0	0	110.4	T159 W168 Y170 A181	T159-E161 PolarHBondContact O-N 2.83Å; T159-E161 WeakPolarHBondContact OG1-CB 3.39Å; T159-E161 PolarHBondContact OG1-N 2.94Å; E161-W168 HydrophobicContact CB-CH2 4.32Å; E161-W168 HydrophobicContact CB-CZ3 3.75Å; E161-W168 HydrophobicContact CG-CZ3 4.47Å; E161-Y170 PolarHBondContact O-OH 3.44Å; E161-A181 HydrophobicContact CB-CB 4.11Å; E161-A181 HydrophobicContact CG-CB 4.26Å
162	E	98.4	Very high	98.5	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	22%	0.216	S	C	.	.			trans	-99.2	137.1	-179.4	-175.6	170.8	-170.5	0	0	111.8	S144 G145 I156 T164 W168	S144-E162 WeakPolarHBondContact CA-OE1 3.35Å; S144-E162 WeakPolarHBondContact CB-OE1 3.38Å; S144-E162 PolarHBondContact OG-OE1 3.47Å; G145-E162 PolarHBondContact N-OE1 2.91Å; I156-E162 HydrophobicContact CD1-CG 4.02Å; I156-E162 HydrophobicContact CG1-CG 4.49Å; I156-E162 HydrophobicContact CG2-CB 4.04Å; E162-T164 PolarHBondContact O-N 3.37Å; E162-T164 VanDerWaalsContact O-N 3.09Å; E162-W168 WeakPolarHBondContact O-CZ2 3.35Å
163	P	98.6	Very high	98.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.223	C	C	.	.			trans	-62.4	117.4	177.1	-20.8	33.7	0	0	0	111.4	F112 V143 F152 W168 Y170	F112-P163 WeakPolarHBondContact CE1-O 3.29Å; F112-P163 HydrophobicContact CE2-CB 4.38Å; F112-P163 HydrophobicContact CZ-CB 3.87Å; F112-P163 VanDerWaalsContact CZ-O 3.28Å; F112-P163 WeakPolarHBondContact CZ-O 3.31Å; V143-P163 HydrophobicContact CG2-CB 4.2Å; V143-P163 HydrophobicContact CG2-CG 4.22Å; F152-P163 HydrophobicContact CD1-CG 4.26Å; F152-P163 HydrophobicContact CE1-CG 4.18Å; P163-W168 HydrophobicContact CB-CB 4.06Å; P163-W168 HydrophobicContact CB-CD2 4.4Å; P163-W168 HydrophobicContact CB-CG 3.89Å; P163-W168 HydrophobicContact CG-CB 4.35Å; P163-W168 HydrophobicContact CG-CG 4.49Å; P163-Y170 WeakPolarHBondContact CD-OH 3.45Å; P163-Y170 HydrophobicContact CG-CE2 4.15Å; P163-Y170 WeakPolarHBondContact CG-OH 3.11Å
164	T	98.2	Very high	98.4	Very high	104 Å²	104	38 Å²	38	64%	0.638	21%	0.214	S	C	*	.			trans	-97.8	-10.7	174.6	56.5	0	0	0	0	113	F112 E162 W168	F112-T164 WeakPolarHBondContact CD1-O 3.12Å; E162-T164 PolarHBondContact O-N 3.37Å; E162-T164 VanDerWaalsContact O-N 3.09Å; T164-W168 HydrophobicContact CG2-CZ2 4.46Å; T164-W168 VanDerWaalsContact N-NE1 3.18Å; T164-W168 PolarHBondContact OG1-NE1 2.98Å
165	W	98.6	Very high	98.3	Very high	99 Å²	99	41.3 Å²	41.3	38%	0.375	23%	0.234	S	C	.	.	S	Bend	trans	-155.3	-179.8	-179.2	-162	-109.9	0	0	0	112	N75 Y82 F112 W168 S184	N75-W165 PolarHBondContact ND2-O 3.42Å; Y82-W165 AromaticContact CD2-CD1 3.94Å; Y82-W165 AromaticContact CE2-CD1 3.88Å; F112-W165 HydrophobicContact CB-CD2 4.39Å; F112-W165 HydrophobicContact CB-CE3 4.06Å; F112-W165 HydrophobicContact CB-CZ3 4.42Å; W165-W168 VanDerWaalsContact O-CD1 3.24Å; W165-S184 WeakPolarHBondContact CB-OG 3.36Å
166	N	98.7	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	148.7	173.5	-64.7	-48.2	0	0	0	111.5	A77 C80 F112 Q115 S184	A77-N166 HydrophobicContact CB-CB 3.96Å; A77-N166 WeakPolarHBondContact CB-OD1 3.37Å; C80-N166 HydrophobicContact CB-CB 4.33Å; F112-N166 WeakPolarHBondContact CD2-OD1 3.46Å; F112-N166 PolarHBondContact O-ND2 3.34Å; Q115-N166 PolarHBondContact OE1-ND2 3.06Å; N166-S184 WeakPolarHBondContact O-CB 3.43Å; N166-S184 PolarHBondContact O-OG 3.35Å
167	F	98.7	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	33.4	178.6	-53.9	-81.4	0	0	0	115.8	V74 N75 V76 A77 C80 H86 Y87 K169	V74-F167 HydrophobicContact CG1-CD1 4.19Å; N75-F167 WeakPolarHBondContact O-CA 3.38Å; N75-F167 PolarHBondContact O-N 3.29Å; V76-F167 HydrophobicContact CB-CE1 4.06Å; V76-F167 HydrophobicContact CG1-CD1 4.23Å; V76-F167 HydrophobicContact CG1-CE1 3.93Å; A77-F167 VanDerWaalsContact O-CZ 3.27Å; A77-F167 WeakPolarHBondContact O-CZ 3.43Å; C80-F167 HydrophobicContact CB-CE2 3.93Å; H86-F167 HydrophobicContact CB-CD1 3.43Å; H86-F167 VanDerWaalsContact CB-CD1 3.43Å; H86-F167 HydrophobicContact CB-CE1 3.64Å; H86-F167 HydrophobicContact CB-CG 3.97Å; H86-F167 HydrophobicContact CB-CZ 4.33Å; H86-F167 AromaticContact CG-CD1 3.81Å; H86-F167 AromaticContact CG-CG 3.86Å; Y87-F167 HydrophobicContact CD2-CE1 4.13Å; Y87-F167 HydrophobicContact CD2-CZ 4.18Å; Y87-F167 HydrophobicContact CE2-CE1 4.17Å; Y87-F167 HydrophobicContact CE2-CZ 4.14Å; F167-K169 WeakPolarHBondContact O-CE 3.5Å; F167-K169 PolarHBondContact O-NZ 3.48Å
168	W	98.8	Very high	98.3	Very high	15 Å²	15	39 Å²	39	6%	0.057	22%	0.218	C	C	.	.			trans	-67.5	148.3	157.2	-82.8	67.6	0	0	0	110.4	V74 N75 E161 E162 P163 T164 W165 Y170 D183	V74-W168 WeakPolarHBondContact CA-O 3.4Å; V74-W168 WeakPolarHBondContact CG1-O 3.23Å; N75-W168 PolarHBondContact N-O 3.35Å; N75-W168 WeakPolarHBondContact OD1-CA 3.5Å; N75-W168 WeakPolarHBondContact OD1-CB 3.37Å; N75-W168 PolarHBondContact OD1-N 2.85Å; N75-W168 PolarHBondContact OD1-O 2.87Å; E161-W168 HydrophobicContact CB-CH2 4.32Å; E161-W168 HydrophobicContact CB-CZ3 3.75Å; E161-W168 HydrophobicContact CG-CZ3 4.47Å; E162-W168 WeakPolarHBondContact O-CZ2 3.35Å; P163-W168 HydrophobicContact CB-CB 4.06Å; P163-W168 HydrophobicContact CB-CD2 4.4Å; P163-W168 HydrophobicContact CB-CG 3.89Å; P163-W168 HydrophobicContact CG-CB 4.35Å; P163-W168 HydrophobicContact CG-CG 4.49Å; T164-W168 HydrophobicContact CG2-CZ2 4.46Å; T164-W168 VanDerWaalsContact N-NE1 3.18Å; T164-W168 PolarHBondContact OG1-NE1 2.98Å; W165-W168 VanDerWaalsContact O-CD1 3.24Å; W168-Y170 HydrophobicContact CB-CE2 4.27Å; W168-D183 HydrophobicContact CD2-CB 4.25Å; W168-D183 HydrophobicContact CE3-CB 4.49Å; W168-D183 HydrophobicContact CH2-CB 3.9Å; W168-D183 HydrophobicContact CZ2-CB 3.61Å; W168-D183 HydrophobicContact CZ3-CB 4.29Å
169	K	98.8	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.4	-169.1	-54.5	165	-154.2	68.8	0	109.2	L72 V73 V74 H86 F167 A181 W182 D183 V186 I191	L72-K169 HydrophobicContact CD1-CB 4.13Å; V73-K169 CarbonylContact O-C 3.48Å; V73-K169 WeakPolarHBondContact O-CA 3.16Å; V74-K169 HydrophobicContact CG1-CG 4.35Å; V74-K169 HydrophobicContact CG2-CG 4.25Å; H86-K169 VanDerWaalsContact CE1-CE 3.43Å; H86-K169 WeakPolarHBondContact CE1-CE 3.11Å; H86-K169 PolarHBondContact CE1-NZ 3.16Å; H86-K169 WeakPolarHBondContact ND1-CE 3.49Å; F167-K169 WeakPolarHBondContact O-CE 3.5Å; F167-K169 PolarHBondContact O-NZ 3.48Å; K169-A181 CarbonylContact O-C 3.55Å; K169-A181 WeakPolarHBondContact O-CA 3.41Å; K169-W182 HydrophobicContact CB-CE3 4.26Å; K169-W182 PolarHBondContact N-O 3.21Å; K169-W182 PolarHBondContact O-N 3.36Å; K169-D183 PolarHBondContact NZ-O 3.37Å; K169-V186 WeakPolarHBondContact CE-O 3.27Å; K169-V186 PolarHBondContact NZ-O 3.26Å; K169-I191 HydrophobicContact CB-CD1 4.38Å; K169-I191 HydrophobicContact CD-CD1 3.62Å
170	Y	98.9	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.7	174.8	-59.5	-99.1	0	0	0	109.4	V73 F152 L155 T159 E161 P163 W168 V178 A181	V73-Y170 PolarHBondContact N-O 2.89Å; V73-Y170 PolarHBondContact O-N 2.84Å; F152-Y170 HydrophobicContact CE1-CD2 4.46Å; F152-Y170 HydrophobicContact CE1-CE2 4.07Å; L155-Y170 HydrophobicContact CB-CD1 3.78Å; L155-Y170 HydrophobicContact CB-CD2 4.46Å; L155-Y170 HydrophobicContact CB-CE1 3.95Å; L155-Y170 HydrophobicContact CB-CG 4.05Å; L155-Y170 HydrophobicContact CD1-CD2 3.93Å; L155-Y170 HydrophobicContact CD1-CG 3.93Å; L155-Y170 HydrophobicContact CD2-CD1 4.49Å; L155-Y170 HydrophobicContact CD2-CG 4.32Å; L155-Y170 HydrophobicContact CG-CD1 4.47Å; L155-Y170 HydrophobicContact CG-CG 4.31Å; T159-Y170 HydrophobicContact CG2-CD1 4.24Å; T159-Y170 HydrophobicContact CG2-CE1 4.49Å; E161-Y170 PolarHBondContact O-OH 3.44Å; P163-Y170 WeakPolarHBondContact CD-OH 3.45Å; P163-Y170 HydrophobicContact CG-CE2 4.15Å; P163-Y170 WeakPolarHBondContact CG-OH 3.11Å; W168-Y170 HydrophobicContact CB-CE2 4.27Å; Y170-V178 HydrophobicContact CD1-CG1 4.39Å; Y170-A181 HydrophobicContact CD1-CB 3.62Å; Y170-A181 HydrophobicContact CE1-CB 3.7Å; Y170-A181 HydrophobicContact CG-CB 4.38Å
171	L	98.9	Very high	98.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.4	174.9	-177.1	59	0	0	0	109.7	V70 V179 K180 W182 I195 L198	V70-L171 HydrophobicContact CG1-CD1 3.37Å; V70-L171 HydrophobicContact CG1-CG 4.49Å; L171-V179 HydrophobicContact CD2-CB 4.5Å; L171-V179 HydrophobicContact CG-CB 4.35Å; L171-V179 PolarHBondContact O-N 2.77Å; L171-K180 PolarHBondContact N-O 2.86Å; L171-W182 HydrophobicContact CB-CH2 3.86Å; L171-W182 HydrophobicContact CB-CZ3 3.64Å; L171-W182 HydrophobicContact CD2-CH2 3.89Å; L171-W182 HydrophobicContact CD2-CZ3 4.48Å; L171-I195 HydrophobicContact CD1-CG1 3.9Å; L171-I195 HydrophobicContact CD2-CG1 4.27Å; L171-L198 HydrophobicContact CD1-CD1 4.19Å; L171-L198 HydrophobicContact CD2-CD1 3.62Å; L171-L198 HydrophobicContact CG-CD1 3.81Å
172	V	98.8	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.6	178.9	-176.5	0	0	0	0	109	F48 Y49 V70 S71 V73 L155 K177	F48-V172 HydrophobicContact CB-CG1 3.89Å; F48-V172 HydrophobicContact CB-CG2 4.4Å; F48-V172 HydrophobicContact CD1-CB 4.33Å; F48-V172 HydrophobicContact CD1-CG1 3.91Å; F48-V172 HydrophobicContact CD1-CG2 3.96Å; F48-V172 HydrophobicContact CE1-CG2 4.41Å; F48-V172 HydrophobicContact CG-CG1 4.16Å; F48-V172 HydrophobicContact CG-CG2 4.05Å; Y49-V172 HydrophobicContact CE1-CG1 4.19Å; Y49-V172 HydrophobicContact CE2-CG1 4.24Å; V70-V172 WeakPolarHBondContact CA-O 3.49Å; S71-V172 PolarHBondContact N-O 2.73Å; S71-V172 PolarHBondContact O-N 3.38Å; V73-V172 HydrophobicContact CG2-CG2 3.92Å; L155-V172 HydrophobicContact CD2-CG2 3.94Å; V172-K177 WeakPolarHBondContact CA-O 3.3Å
173	D	98.3	Very high	98.4	Very high	28 Å²	28	35.1 Å²	35.1	15%	0.15	18%	0.182	C	C	.	.			trans	-74.1	174.4	179.5	90.7	-16.3	0	0	0	112.2	Y49 N175 G176 K177 V179	Y49-D173 WeakPolarHBondContact CE2-O 3.42Å; Y49-D173 PolarHBondContact OH-O 2.87Å; Y49-D173 VanDerWaalsContact OH-O 3.14Å; D173-N175 PolarHBondContact O-N 2.84Å; D173-N175 VanDerWaalsContact O-N 3.13Å; D173-N175 VanDerWaalsContact OD1-CA 3.31Å; D173-N175 WeakPolarHBondContact OD1-CA 3.21Å; D173-N175 WeakPolarHBondContact OD1-CB 2.98Å; D173-N175 PolarHBondContact OD1-N 2.95Å; D173-N175 PolarHBondContact OD2-ND2 3.44Å; D173-G176 PolarHBondContact O-N 2.73Å; D173-G176 VanDerWaalsContact O-N 3.12Å; D173-G176 PolarHBondContact OD1-N 2.72Å; D173-K177 PolarHBondContact N-O 2.94Å; D173-K177 PolarHBondContact OD1-N 3.07Å; D173-V179 HydrophobicContact CB-CG2 3.68Å
174	P	97.4	Very high	98.3	Very high	23 Å²	23	35.4 Å²	35.4	15%	0.149	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.2	179.4	-25.5	38.4	0	0	0	115.3	G68 S69 V70 I202	G68-P174 PolarHBondContact N-O 3.39Å; S69-P174 WeakPolarHBondContact O-CA 3.41Å; V70-P174 HydrophobicContact CG2-CG 4.17Å; P174-I202 HydrophobicContact CB-CG1 4.46Å; P174-I202 HydrophobicContact CG-CD1 3.62Å; P174-I202 HydrophobicContact CG-CG1 3.57Å
175	N	96.7	Very high	98.3	Very high	103 Å²	103	35.2 Å²	35.2	55%	0.551	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-1	-179.9	-55.1	-53.6	0	0	0	112.5	R67 D173	R67-N175 PolarHBondContact NH1-O 2.71Å; D173-N175 PolarHBondContact O-N 2.84Å; D173-N175 VanDerWaalsContact O-N 3.13Å; D173-N175 VanDerWaalsContact OD1-CA 3.31Å; D173-N175 WeakPolarHBondContact OD1-CA 3.21Å; D173-N175 WeakPolarHBondContact OD1-CB 2.98Å; D173-N175 PolarHBondContact OD1-N 2.95Å; D173-N175 PolarHBondContact OD2-ND2 3.44Å
176	G	98	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	87.4	10.3	-179.8	0	0	0	0	0	114.3	F48 Y49 Y154 D173	F48-G176 VanDerWaalsContact CB-O 3.31Å; F48-G176 WeakPolarHBondContact CB-O 3.27Å; F48-G176 PolarHBondContact N-O 2.95Å; Y49-G176 VanDerWaalsContact CD2-CA 3.42Å; Y154-G176 PolarHBondContact OH-O 3.05Å; D173-G176 PolarHBondContact O-N 2.73Å; D173-G176 VanDerWaalsContact O-N 3.12Å; D173-G176 PolarHBondContact OD1-N 2.72Å
177	K	98.3	Very high	98.3	Very high	80 Å²	80	33.1 Å²	33.1	35%	0.348	18%	0.182	S	C	.	.			trans	-86.5	139.2	175.1	-59.7	-61.3	-174	-176.3	0	110.1	E45 V172 D173	E45-K177 IonicContact OE2-NZ 2.78Å; E45-K177 PolarHBondContact OE2-NZ 3.49Å; V172-K177 WeakPolarHBondContact CA-O 3.3Å; D173-K177 PolarHBondContact N-O 2.94Å; D173-K177 PolarHBondContact OD1-N 3.07Å
178	V	98.3	Very high	98.2	Very high	27 Å²	27	33.4 Å²	33.4	16%	0.164	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.5	177.4	-164.3	0	0	0	0	108.7	Y154 L155 T159 Y170	Y154-V178 HydrophobicContact CD1-CG2 4.17Å; Y154-V178 HydrophobicContact CE1-CG2 3.68Å; L155-V178 HydrophobicContact CD2-CG1 4.35Å; L155-V178 HydrophobicContact CD2-CG2 3.59Å; T159-V178 HydrophobicContact CG2-CB 4.15Å; T159-V178 HydrophobicContact CG2-CG1 3.44Å; T159-V178 VanDerWaalsContact CG2-CG1 3.44Å; Y170-V178 HydrophobicContact CD1-CG1 4.39Å
179	V	97.8	Very high	98.2	Very high	77 Å²	77	38.3 Å²	38.3	47%	0.467	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-42.2	-176.1	-178.7	0	0	0	0	110.9	L171 D173 L198	L171-V179 HydrophobicContact CD2-CB 4.5Å; L171-V179 HydrophobicContact CG-CB 4.35Å; L171-V179 PolarHBondContact O-N 2.77Å; D173-V179 HydrophobicContact CB-CG2 3.68Å; V179-L198 HydrophobicContact CG2-CD1 4.02Å
180	K	98.3	Very high	98.2	Very high	78 Å²	78	43.9 Å²	43.9	34%	0.339	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	153.4	-175	-166	155.5	178.8	173.1	0	111.2	L171 W182 Y194	L171-K180 PolarHBondContact N-O 2.86Å; K180-W182 HydrophobicContact CB-CH2 3.74Å; K180-W182 HydrophobicContact CB-CZ2 3.95Å; K180-W182 HydrophobicContact CB-CZ3 4.12Å; K180-W182 HydrophobicContact CD-CH2 4.19Å; K180-W182 HydrophobicContact CD-CZ2 3.51Å; K180-W182 HydrophobicContact CG-CD2 4.26Å; K180-W182 HydrophobicContact CG-CH2 3.96Å; K180-W182 HydrophobicContact CG-CZ2 3.66Å; K180-W182 HydrophobicContact CG-CZ3 4.37Å; K180-Y194 HydrophobicContact CD-CE1 4.31Å; K180-Y194 PolarHBondContact NZ-OH 3.17Å
181	A	98.6	Very high	98.1	Very high	20 Å²	20	43.9 Å²	43.9	17%	0.165	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155	168.8	0	0	0	0	0	110.8	T159 E161 K169 Y170	T159-A181 HydrophobicContact CG2-CB 4.11Å; E161-A181 HydrophobicContact CB-CB 4.11Å; E161-A181 HydrophobicContact CG-CB 4.26Å; K169-A181 CarbonylContact O-C 3.55Å; K169-A181 WeakPolarHBondContact O-CA 3.41Å; Y170-A181 HydrophobicContact CD1-CB 3.62Å; Y170-A181 HydrophobicContact CE1-CB 3.7Å; Y170-A181 HydrophobicContact CG-CB 4.38Å
182	W	98.8	Very high	98.1	Very high	22 Å²	22	48.4 Å²	48.4	8%	0.083	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.6	171.4	-58.1	-96.8	0	0	0	110.4	K169 L171 K180 V186 I191 Y194	K169-W182 HydrophobicContact CB-CE3 4.26Å; K169-W182 PolarHBondContact N-O 3.21Å; K169-W182 PolarHBondContact O-N 3.36Å; L171-W182 HydrophobicContact CB-CH2 3.86Å; L171-W182 HydrophobicContact CB-CZ3 3.64Å; L171-W182 HydrophobicContact CD2-CH2 3.89Å; L171-W182 HydrophobicContact CD2-CZ3 4.48Å; K180-W182 HydrophobicContact CB-CH2 3.74Å; K180-W182 HydrophobicContact CB-CZ2 3.95Å; K180-W182 HydrophobicContact CB-CZ3 4.12Å; K180-W182 HydrophobicContact CD-CH2 4.19Å; K180-W182 HydrophobicContact CD-CZ2 3.51Å; K180-W182 HydrophobicContact CG-CD2 4.26Å; K180-W182 HydrophobicContact CG-CH2 3.96Å; K180-W182 HydrophobicContact CG-CZ2 3.66Å; K180-W182 HydrophobicContact CG-CZ3 4.37Å; W182-V186 HydrophobicContact CB-CB 4Å; W182-V186 HydrophobicContact CB-CG1 4.3Å; W182-V186 HydrophobicContact CB-CG2 4.13Å; W182-V186 HydrophobicContact CG-CB 4.44Å; W182-V186 HydrophobicContact CG-CG1 4.23Å; W182-I191 HydrophobicContact CB-CG2 4.43Å; W182-I191 HydrophobicContact CD2-CB 4.27Å; W182-I191 HydrophobicContact CD2-CG2 3.49Å; W182-I191 VanDerWaalsContact CD2-CG2 3.49Å; W182-I191 VanDerWaalsContact CE2-CG2 3.43Å; W182-I191 HydrophobicContact CE3-CB 4.46Å; W182-I191 HydrophobicContact CE3-CD1 4.35Å; W182-I191 HydrophobicContact CE3-CG2 4.05Å; W182-I191 HydrophobicContact CG-CG2 3.67Å; W182-I191 HydrophobicContact CH2-CB 4.23Å; W182-I191 HydrophobicContact CH2-CG2 4.45Å; W182-I191 HydrophobicContact CZ2-CB 4.01Å; W182-I191 HydrophobicContact CZ2-CG2 3.94Å; W182-I191 HydrophobicContact CZ3-CB 4.44Å; W182-I191 HydrophobicContact CZ3-CD1 4.42Å; W182-I191 HydrophobicContact CZ3-CG2 4.49Å; W182-Y194 HydrophobicContact CH2-CG 4.49Å; W182-Y194 HydrophobicContact CZ2-CD1 4.42Å; W182-Y194 AromaticContact CZ2-CD2 3.95Å; W182-Y194 HydrophobicContact CZ2-CD2 3.95Å; W182-Y194 HydrophobicContact CZ2-CE2 4.42Å; W182-Y194 AromaticContact CZ2-CG 3.95Å; W182-Y194 HydrophobicContact CZ2-CG 3.95Å
183	D	98.5	Very high	98.1	Very high	60 Å²	60	52.3 Å²	52.3	32%	0.321	28%	0.275	S	S	.	.			trans	-70.4	178.9	174	69.6	55.3	0	0	0	112.6	W168 K169 T185	W168-D183 HydrophobicContact CD2-CB 4.25Å; W168-D183 HydrophobicContact CE3-CB 4.49Å; W168-D183 HydrophobicContact CH2-CB 3.9Å; W168-D183 HydrophobicContact CZ2-CB 3.61Å; W168-D183 HydrophobicContact CZ3-CB 4.29Å; K169-D183 PolarHBondContact NZ-O 3.37Å; D183-T185 VanDerWaalsContact C-N 3.29Å; D183-T185 PolarHBondContact O-N 3.29Å; D183-T185 WeakPolarHBondContact OD1-CA 3.42Å; D183-T185 VanDerWaalsContact OD1-CB 3.3Å; D183-T185 WeakPolarHBondContact OD1-CB 3.2Å; D183-T185 PolarHBondContact OD1-N 2.86Å; D183-T185 PolarHBondContact OD1-OG1 3.34Å
184	S	97.7	Very high	98.1	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.042	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	-177.4	-52.7	0	0	0	0	114.6	W165 N166	W165-S184 WeakPolarHBondContact CB-OG 3.36Å; N166-S184 WeakPolarHBondContact O-CB 3.43Å; N166-S184 PolarHBondContact O-OG 3.35Å
185	T	97.4	Very high	98.1	Very high	100 Å²	100	55.3 Å²	55.3	61%	0.613	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.2	-175.2	71.6	0	0	0	0	112.7	D183 S187	D183-T185 VanDerWaalsContact C-N 3.29Å; D183-T185 PolarHBondContact O-N 3.29Å; D183-T185 WeakPolarHBondContact OD1-CA 3.42Å; D183-T185 VanDerWaalsContact OD1-CB 3.3Å; D183-T185 WeakPolarHBondContact OD1-CB 3.2Å; D183-T185 PolarHBondContact OD1-N 2.86Å; D183-T185 PolarHBondContact OD1-OG1 3.34Å; T185-S187 PolarHBondContact O-N 3.18Å
186	V	98.4	Very high	98.2	Very high	26 Å²	26	53 Å²	53	16%	0.158	27%	0.272	C	S	.	.	S	Bend	trans	-76.1	124	177.2	-173.7	0	0	0	0	109.8	K169 W182 E190 I191	K169-V186 WeakPolarHBondContact CE-O 3.27Å; K169-V186 PolarHBondContact NZ-O 3.26Å; W182-V186 HydrophobicContact CB-CB 4Å; W182-V186 HydrophobicContact CB-CG1 4.3Å; W182-V186 HydrophobicContact CB-CG2 4.13Å; W182-V186 HydrophobicContact CG-CB 4.44Å; W182-V186 HydrophobicContact CG-CG1 4.23Å; V186-E190 HydrophobicContact CG1-CB 3.98Å; V186-I191 HydrophobicContact CG1-CG2 3.67Å
187	S	98.1	Very high	98.1	Very high	30 Å²	30	56.3 Å²	56.3	21%	0.21	29%	0.288	C	S	.	.			trans	-69.5	161.2	179.2	68	0	0	0	0	112.5	T185 E189 E190	T185-S187 PolarHBondContact O-N 3.18Å; S187-E189 VanDerWaalsContact C-N 3.27Å; S187-E189 WeakPolarHBondContact CB-OE2 3.42Å; S187-E190 WeakPolarHBondContact CB-OE1 3.43Å; S187-E190 PolarHBondContact N-OE1 2.92Å; S187-E190 PolarHBondContact O-N 3.37Å; S187-E190 WeakPolarHBondContact OG-CG 3.49Å; S187-E190 PolarHBondContact OG-N 2.59Å; S187-E190 PolarHBondContact OG-OE1 2.94Å
188	V	98.1	Very high	98.1	Very high	5 Å²	5	54 Å²	54	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-71.5	-30	177.4	176	0	0	0	0	110.6	A89 L90 L93 I191 R192	A89-V188 HydrophobicContact CB-CB 3.56Å; A89-V188 HydrophobicContact CB-CG1 3.93Å; A89-V188 HydrophobicContact CB-CG2 3.95Å; L90-V188 HydrophobicContact CD2-CG1 4.4Å; L90-V188 HydrophobicContact CD2-CG2 4.02Å; L90-V188 HydrophobicContact CG-CG2 4.12Å; L93-V188 HydrophobicContact CD2-CG1 4.16Å; V188-I191 WeakPolarHBondContact O-CG1 3.24Å; V188-I191 PolarHBondContact O-N 3.47Å; V188-R192 PolarHBondContact O-N 3.11Å
189	E	97.9	Very high	98.1	Very high	119 Å²	119	53.1 Å²	53.1	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-43.9	175.8	-68.1	70.5	-160.2	0	0	111.3	A89 S187 I191 R192	A89-E189 VanDerWaalsContact CB-OE1 3.22Å; A89-E189 WeakPolarHBondContact CB-OE1 3.37Å; S187-E189 VanDerWaalsContact C-N 3.27Å; S187-E189 WeakPolarHBondContact CB-OE2 3.42Å; E189-I191 VanDerWaalsContact C-N 3.29Å; E189-I191 PolarHBondContact O-N 3.28Å; E189-R192 WeakPolarHBondContact O-CB 3.42Å; E189-R192 PolarHBondContact O-N 3.15Å
190	E	98.4	Very high	98	Very high	117 Å²	117	55 Å²	55	55%	0.547	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-32.1	177.7	-76.4	168.7	-89.7	0	0	113.1	V186 S187 P193	V186-E190 HydrophobicContact CG1-CB 3.98Å; S187-E190 WeakPolarHBondContact CB-OE1 3.43Å; S187-E190 PolarHBondContact N-OE1 2.92Å; S187-E190 PolarHBondContact O-N 3.37Å; S187-E190 WeakPolarHBondContact OG-CG 3.49Å; S187-E190 PolarHBondContact OG-N 2.59Å; S187-E190 PolarHBondContact OG-OE1 2.94Å; E190-P193 WeakPolarHBondContact O-CD 3.36Å
191	I	98.3	Very high	97.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-89.1	-17.2	-179.5	71.3	169.9	0	0	0	113.1	L72 K169 W182 V186 V188 E189 P193 Y194 I195	L72-I191 HydrophobicContact CD1-CD1 3.82Å; L72-I191 HydrophobicContact CD2-CD1 3.88Å; K169-I191 HydrophobicContact CB-CD1 4.38Å; K169-I191 HydrophobicContact CD-CD1 3.62Å; W182-I191 HydrophobicContact CB-CG2 4.43Å; W182-I191 HydrophobicContact CD2-CB 4.27Å; W182-I191 HydrophobicContact CD2-CG2 3.49Å; W182-I191 VanDerWaalsContact CD2-CG2 3.49Å; W182-I191 VanDerWaalsContact CE2-CG2 3.43Å; W182-I191 HydrophobicContact CE3-CB 4.46Å; W182-I191 HydrophobicContact CE3-CD1 4.35Å; W182-I191 HydrophobicContact CE3-CG2 4.05Å; W182-I191 HydrophobicContact CG-CG2 3.67Å; W182-I191 HydrophobicContact CH2-CB 4.23Å; W182-I191 HydrophobicContact CH2-CG2 4.45Å; W182-I191 HydrophobicContact CZ2-CB 4.01Å; W182-I191 HydrophobicContact CZ2-CG2 3.94Å; W182-I191 HydrophobicContact CZ3-CB 4.44Å; W182-I191 HydrophobicContact CZ3-CD1 4.42Å; W182-I191 HydrophobicContact CZ3-CG2 4.49Å; V186-I191 HydrophobicContact CG1-CG2 3.67Å; V188-I191 WeakPolarHBondContact O-CG1 3.24Å; V188-I191 PolarHBondContact O-N 3.47Å; E189-I191 VanDerWaalsContact C-N 3.29Å; E189-I191 PolarHBondContact O-N 3.28Å; I191-P193 VanDerWaalsContact C-CD 3.41Å; I191-P193 VanDerWaalsContact C-N 3.33Å; I191-Y194 WeakPolarHBondContact O-CB 3.4Å; I191-Y194 PolarHBondContact O-N 3.03Å; I191-I195 HydrophobicContact CD1-CD1 4.03Å; I191-I195 HydrophobicContact CG1-CD1 4.08Å; I191-I195 PolarHBondContact O-N 3.23Å
192	R	98.3	Very high	97.6	Very high	95 Å²	95	56.8 Å²	56.8	36%	0.358	28%	0.277	S	S	.	.	H	α-helix	trans	-51.3	-40.5	-178.2	-180	178	177.7	142.6	7	114	L93 D96 V188 E189 Y194 I195 T196	L93-R192 HydrophobicContact CD1-CB 4.48Å; L93-R192 HydrophobicContact CD1-CG 3.99Å; D96-R192 IonicContact OD2-CZ 2.87Å; D96-R192 IonicContact OD2-NH1 3.25Å; D96-R192 PolarHBondContact OD2-NH1 3.42Å; D96-R192 IonicContact OD2-NH2 3.49Å; D96-R192 PolarHBondContact OD2-NH2 3.05Å; V188-R192 PolarHBondContact O-N 3.11Å; E189-R192 WeakPolarHBondContact O-CB 3.42Å; E189-R192 PolarHBondContact O-N 3.15Å; R192-Y194 VanDerWaalsContact C-N 3.34Å; R192-Y194 PolarHBondContact O-N 3.42Å; R192-I195 PolarHBondContact O-N 3.11Å; R192-T196 WeakPolarHBondContact O-CB 3.23Å; R192-T196 PolarHBondContact O-N 2.67Å; R192-T196 PolarHBondContact O-OG1 3.39Å
193	P	98.4	Very high	97.3	Very high	82 Å²	82	59.7 Å²	59.7	53%	0.532	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-40.1	177.4	-26.3	36.5	0	0	0	113.5	E190 I191 I195 T196 E197	E190-P193 WeakPolarHBondContact O-CD 3.36Å; I191-P193 VanDerWaalsContact C-CD 3.41Å; I191-P193 VanDerWaalsContact C-N 3.33Å; P193-I195 VanDerWaalsContact C-N 3.34Å; P193-I195 PolarHBondContact O-N 3.11Å; P193-T196 PolarHBondContact O-N 2.94Å; P193-E197 WeakPolarHBondContact O-CB 3.47Å; P193-E197 PolarHBondContact O-N 3.37Å
194	Y	98.1	Very high	97	Very high	115 Å²	115	60.2 Å²	60.2	45%	0.451	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-42.1	178.2	-64.9	-93.2	0	0	0	111.7	K180 W182 I191 R192 L198	K180-Y194 HydrophobicContact CD-CE1 4.31Å; K180-Y194 PolarHBondContact NZ-OH 3.17Å; W182-Y194 HydrophobicContact CH2-CG 4.49Å; W182-Y194 HydrophobicContact CZ2-CD1 4.42Å; W182-Y194 AromaticContact CZ2-CD2 3.95Å; W182-Y194 HydrophobicContact CZ2-CD2 3.95Å; W182-Y194 HydrophobicContact CZ2-CE2 4.42Å; W182-Y194 AromaticContact CZ2-CG 3.95Å; W182-Y194 HydrophobicContact CZ2-CG 3.95Å; I191-Y194 WeakPolarHBondContact O-CB 3.4Å; I191-Y194 PolarHBondContact O-N 3.03Å; R192-Y194 VanDerWaalsContact C-N 3.34Å; R192-Y194 PolarHBondContact O-N 3.42Å; Y194-L198 PolarHBondContact O-N 2.92Å
195	I	98.2	Very high	96.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-46.9	179.7	-57.6	177.5	0	0	0	110	V70 L72 L93 L97 F102 L171 I191 R192 P193 E197 L198 V199	V70-I195 HydrophobicContact CG1-CG2 4.31Å; L72-I195 HydrophobicContact CB-CD1 4.49Å; L72-I195 HydrophobicContact CD1-CD1 4.06Å; L72-I195 HydrophobicContact CD2-CD1 3.92Å; L72-I195 HydrophobicContact CG-CD1 4.39Å; L93-I195 HydrophobicContact CD2-CD1 3.53Å; L97-I195 HydrophobicContact CD1-CG2 3.7Å; F102-I195 HydrophobicContact CD2-CG2 3.51Å; F102-I195 HydrophobicContact CE2-CD1 4.38Å; F102-I195 HydrophobicContact CE2-CG2 3.38Å; F102-I195 HydrophobicContact CG-CG2 4.34Å; F102-I195 HydrophobicContact CZ-CG2 4.12Å; L171-I195 HydrophobicContact CD1-CG1 3.9Å; L171-I195 HydrophobicContact CD2-CG1 4.27Å; I191-I195 HydrophobicContact CD1-CD1 4.03Å; I191-I195 HydrophobicContact CG1-CD1 4.08Å; I191-I195 PolarHBondContact O-N 3.23Å; R192-I195 PolarHBondContact O-N 3.11Å; P193-I195 VanDerWaalsContact C-N 3.34Å; P193-I195 PolarHBondContact O-N 3.11Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.11Å; I195-L198 PolarHBondContact O-N 3.11Å; I195-V199 HydrophobicContact CG2-CG2 4.5Å; I195-V199 WeakPolarHBondContact O-CG2 3.21Å; I195-V199 PolarHBondContact O-N 3.36Å
196	T	97.5	Very high	96.1	Very high	55 Å²	55	66.7 Å²	66.7	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-37.9	-178.3	-53.7	0	0	0	0	111	R192 P193 V199 R200	R192-T196 WeakPolarHBondContact O-CB 3.23Å; R192-T196 PolarHBondContact O-N 2.67Å; R192-T196 PolarHBondContact O-OG1 3.39Å; P193-T196 PolarHBondContact O-N 2.94Å; T196-V199 PolarHBondContact O-N 3.09Å; T196-R200 VanDerWaalsContact O-CB 3.29Å; T196-R200 WeakPolarHBondContact O-CB 3.32Å; T196-R200 PolarHBondContact O-N 2.95Å
197	E	97.7	Very high	95.5	Very high	69 Å²	69	72.6 Å²	72.6	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.7	179.1	55	-161.2	0	0	112.5	P193 I195 R200 K201	P193-E197 WeakPolarHBondContact O-CB 3.47Å; P193-E197 PolarHBondContact O-N 3.37Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.11Å; E197-R200 VanDerWaalsContact CD-NH2 3.35Å; E197-R200 PolarHBondContact O-N 3.09Å; E197-R200 IonicContact OE1-CZ 2.79Å; E197-R200 IonicContact OE1-NE 3.53Å; E197-R200 IonicContact OE1-NH2 3.53Å; E197-R200 PolarHBondContact OE1-NH2 2.88Å; E197-R200 IonicContact OE2-CZ 2.85Å; E197-R200 IonicContact OE2-NE 3.31Å; E197-R200 PolarHBondContact OE2-NE 2.61Å; E197-R200 IonicContact OE2-NH2 2.84Å; E197-R200 PolarHBondContact OE2-NH2 3.44Å; E197-R200 VanDerWaalsContact OE2-NH2 3.14Å; E197-K201 WeakPolarHBondContact O-CG 3.29Å; E197-K201 PolarHBondContact O-N 2.98Å; E197-K201 WeakPolarHBondContact OE1-CE 3.22Å; E197-K201 IonicContact OE1-NZ 3.22Å
198	L	97.6	Very high	95	Very high	30 Å²	30	77.5 Å²	77.5	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-65.6	-41.8	175.1	-67.3	-177.1	0	0	0	112.1	V70 L171 V179 Y194 I195 K201 I202	V70-L198 HydrophobicContact CG1-CB 4.4Å; V70-L198 HydrophobicContact CG1-CD1 4.22Å; V70-L198 HydrophobicContact CG2-CB 3.51Å; V70-L198 HydrophobicContact CG2-CD1 4.33Å; L171-L198 HydrophobicContact CD1-CD1 4.19Å; L171-L198 HydrophobicContact CD2-CD1 3.62Å; L171-L198 HydrophobicContact CG-CD1 3.81Å; V179-L198 HydrophobicContact CG2-CD1 4.02Å; Y194-L198 PolarHBondContact O-N 2.92Å; I195-L198 PolarHBondContact O-N 3.11Å; L198-K201 PolarHBondContact O-N 2.94Å; L198-I202 PolarHBondContact O-N 3.27Å
199	V	97.1	Very high	94.2	Very high	9 Å²	9	83.7 Å²	83.7	6%	0.055	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-44.9	176	171.4	0	0	0	0	110.9	V70 L97 H101 F102 I195 T196 K201 I202 I203	V70-V199 HydrophobicContact CB-CG2 4.2Å; V70-V199 HydrophobicContact CG2-CG2 4.12Å; L97-V199 HydrophobicContact CD1-CG2 4.46Å; H101-V199 HydrophobicContact CB-CG1 3.89Å; F102-V199 HydrophobicContact CB-CG2 3.99Å; I195-V199 HydrophobicContact CG2-CG2 4.5Å; I195-V199 WeakPolarHBondContact O-CG2 3.21Å; I195-V199 PolarHBondContact O-N 3.36Å; T196-V199 PolarHBondContact O-N 3.09Å; V199-K201 VanDerWaalsContact C-N 3.32Å; V199-K201 PolarHBondContact O-N 3.28Å; V199-I202 WeakPolarHBondContact O-CB 3.48Å; V199-I202 PolarHBondContact O-N 2.77Å; V199-I202 VanDerWaalsContact O-N 3.15Å; V199-I203 HydrophobicContact CG1-CD1 4.02Å; V199-I203 WeakPolarHBondContact O-CG1 3.16Å; V199-I203 PolarHBondContact O-N 2.88Å; V199-I203 VanDerWaalsContact O-N 3.16Å
200	R	96.4	Very high	92.6	Very high	118 Å²	118	87.9 Å²	87.9	45%	0.445	42%	0.416	S	S	.	.	H	α-helix	trans	-58.3	-42.7	176.6	-171.7	-173.5	72.2	84.9	4.5	111.8	T196 E197 I202 I203 L204	T196-R200 VanDerWaalsContact O-CB 3.29Å; T196-R200 WeakPolarHBondContact O-CB 3.32Å; T196-R200 PolarHBondContact O-N 2.95Å; E197-R200 VanDerWaalsContact CD-NH2 3.35Å; E197-R200 PolarHBondContact O-N 3.09Å; E197-R200 IonicContact OE1-CZ 2.79Å; E197-R200 IonicContact OE1-NE 3.53Å; E197-R200 IonicContact OE1-NH2 3.53Å; E197-R200 PolarHBondContact OE1-NH2 2.88Å; E197-R200 IonicContact OE2-CZ 2.85Å; E197-R200 IonicContact OE2-NE 3.31Å; E197-R200 PolarHBondContact OE2-NE 2.61Å; E197-R200 IonicContact OE2-NH2 2.84Å; E197-R200 PolarHBondContact OE2-NH2 3.44Å; E197-R200 VanDerWaalsContact OE2-NH2 3.14Å; R200-I202 VanDerWaalsContact C-N 3.34Å; R200-I202 PolarHBondContact O-N 3.49Å; R200-I203 PolarHBondContact O-N 3.06Å; R200-L204 HydrophobicContact CG-CD1 4.27Å; R200-L204 WeakPolarHBondContact O-CG 3.45Å; R200-L204 PolarHBondContact O-N 3.4Å
201	K	95.6	Very high	92.3	Very high	116 Å²	116	86.5 Å²	86.5	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-38.4	176.5	-72.6	177.8	-173.9	-177.9	0	112.7	E197 L198 V199 K205	E197-K201 WeakPolarHBondContact O-CG 3.29Å; E197-K201 PolarHBondContact O-N 2.98Å; E197-K201 WeakPolarHBondContact OE1-CE 3.22Å; E197-K201 IonicContact OE1-NZ 3.22Å; L198-K201 PolarHBondContact O-N 2.94Å; V199-K201 VanDerWaalsContact C-N 3.32Å; V199-K201 PolarHBondContact O-N 3.28Å; K201-K205 WeakPolarHBondContact O-CB 3.41Å; K201-K205 PolarHBondContact O-N 3.06Å
202	I	93.9	Very high	92	Very high	18 Å²	18	91 Å²	91	9%	0.092	43%	0.431	C	S	.	.	H	α-helix	trans	-60	-48.8	173.3	-63.2	160.5	0	0	0	110.3	V70 H101 P174 L198 V199 R200 L204 K205 K206	V70-I202 HydrophobicContact CG2-CD1 3.75Å; H101-I202 HydrophobicContact CB-CD1 4.22Å; P174-I202 HydrophobicContact CB-CG1 4.46Å; P174-I202 HydrophobicContact CG-CD1 3.62Å; P174-I202 HydrophobicContact CG-CG1 3.57Å; L198-I202 PolarHBondContact O-N 3.27Å; V199-I202 WeakPolarHBondContact O-CB 3.48Å; V199-I202 PolarHBondContact O-N 2.77Å; V199-I202 VanDerWaalsContact O-N 3.15Å; R200-I202 VanDerWaalsContact C-N 3.34Å; R200-I202 PolarHBondContact O-N 3.49Å; I202-L204 PolarHBondContact O-N 3Å; I202-K205 PolarHBondContact O-N 3.43Å; I202-K206 HydrophobicContact CG2-CD 4.27Å; I202-K206 WeakPolarHBondContact O-CG 3.2Å; I202-K206 PolarHBondContact O-N 3.15Å
203	I	91.5	Very high	91.7	Very high	83 Å²	83	90.8 Å²	90.8	43%	0.426	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-44.4	-174.9	-65.8	167.6	0	0	0	110.8	V199 R200 K206 K207	V199-I203 HydrophobicContact CG1-CD1 4.02Å; V199-I203 WeakPolarHBondContact O-CG1 3.16Å; V199-I203 PolarHBondContact O-N 2.88Å; V199-I203 VanDerWaalsContact O-N 3.16Å; R200-I203 PolarHBondContact O-N 3.06Å; I203-K206 PolarHBondContact O-N 3.02Å; I203-K207 PolarHBondContact O-N 3.19Å; I203-K207 VanDerWaalsContact O-N 3.1Å
204	L	92.8	Very high	91.3	Very high	72 Å²	72	91.3 Å²	91.3	38%	0.377	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-45.9	178.4	-70	177.9	0	0	0	112.2	R200 I202 K206 K207 D208	R200-L204 HydrophobicContact CG-CD1 4.27Å; R200-L204 WeakPolarHBondContact O-CG 3.45Å; R200-L204 PolarHBondContact O-N 3.4Å; I202-L204 PolarHBondContact O-N 3Å; L204-K206 VanDerWaalsContact C-N 3.27Å; L204-K206 PolarHBondContact O-N 3.41Å; L204-K207 WeakPolarHBondContact O-CA 3.42Å; L204-K207 WeakPolarHBondContact O-CB 3.16Å; L204-K207 PolarHBondContact O-N 3.41Å; L204-D208 PolarHBondContact O-N 2.68Å
205	K	90.6	Very high	90.8	Very high	135 Å²	135	89.8 Å²	89.8	59%	0.587	43%	0.428	S	S	*	.	H	α-helix	trans	-57	-42.7	177	-175.1	-180	175.9	-175.8	0	111.8	K201 I202 K207 D208 E209	K201-K205 WeakPolarHBondContact O-CB 3.41Å; K201-K205 PolarHBondContact O-N 3.06Å; I202-K205 PolarHBondContact O-N 3.43Å; K205-K207 VanDerWaalsContact C-N 3.3Å; K205-K207 PolarHBondContact O-N 2.91Å; K205-D208 PolarHBondContact O-N 3.38Å; K205-E209 WeakPolarHBondContact CE-OE1 3.37Å; K205-E209 WeakPolarHBondContact O-CG 3.26Å; K205-E209 PolarHBondContact O-N 3.25Å
206	K	85.7	Confident	90.3	Very high	106 Å²	106	95.8 Å²	95.8	46%	0.461	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-31.1	176.2	-75.9	-173.4	172.2	-168.5	0	113.3	I202 I203 L204 L210	I202-K206 HydrophobicContact CG2-CD 4.27Å; I202-K206 WeakPolarHBondContact O-CG 3.2Å; I202-K206 PolarHBondContact O-N 3.15Å; I203-K206 PolarHBondContact O-N 3.02Å; L204-K206 VanDerWaalsContact C-N 3.27Å; L204-K206 PolarHBondContact O-N 3.41Å; K206-L210 WeakPolarHBondContact O-CG 3.38Å
207	K	85.9	Confident	89.8	Confident	150 Å²	150	98.7 Å²	98.7	65%	0.652	47%	0.465	S	S	*	.	H	α-helix	trans	-71.5	-36.3	176.3	-174.6	-177.9	173.8	-174.8	0	111.6	I203 L204 K205 E209 L210	I203-K207 PolarHBondContact O-N 3.19Å; I203-K207 VanDerWaalsContact O-N 3.1Å; L204-K207 WeakPolarHBondContact O-CA 3.42Å; L204-K207 WeakPolarHBondContact O-CB 3.16Å; L204-K207 PolarHBondContact O-N 3.41Å; K205-K207 VanDerWaalsContact C-N 3.3Å; K205-K207 PolarHBondContact O-N 2.91Å; K207-E209 VanDerWaalsContact C-N 3.26Å; K207-E209 PolarHBondContact O-N 2.99Å; K207-L210 PolarHBondContact O-N 3.18Å
208	D	86.3	Confident	89.2	Confident	134 Å²	134	101 Å²	101	72%	0.717	48%	0.476	S	S	*	.	H	α-helix	trans	-74.8	-18.1	179.5	-61.5	-21.8	0	0	0	112.7	L204 K205	L204-D208 PolarHBondContact O-N 2.68Å; K205-D208 PolarHBondContact O-N 3.38Å
209	E	82.5	Confident	88.5	Confident	134 Å²	134	106.9 Å²	106.9	63%	0.626	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.9	177.5	-71.7	172	179.7	0	0	113.9	K205 K207	K205-E209 WeakPolarHBondContact CE-OE1 3.37Å; K205-E209 WeakPolarHBondContact O-CG 3.26Å; K205-E209 PolarHBondContact O-N 3.25Å; K207-E209 VanDerWaalsContact C-N 3.26Å; K207-E209 PolarHBondContact O-N 2.99Å
210	L	64.2	Low	87.8	Confident	208 Å²	208	115.8 Å²	115.8	100%	1.089	54%	0.543	S	S	*	.			trans	-105.5	0	-179.6	-72.5	170.1	0	0	0	111.8	K206 K207	K206-L210 WeakPolarHBondContact O-CG 3.38Å; K207-L210 PolarHBondContact O-N 3.18Å

Retrieved 210 of 210 residues in 542.5 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).