A0A077ZGP0_TRITR Loading...

serine-type D-Ala-D-Ala carboxypeptidase

Removes C-terminal D-alanyl residues from sugar-peptide cell wall precursors.

AlphaFold DB , UniProt , Accession A0A077ZGP0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 403 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	43.3	Very low	49.1	Very low	240 Å²	240	151.7 Å²	151.7	100%	1.182	77%	0.766	S	S	*	*				0	100.9	0	-84.3	159.2	75	0	0	107.1
2	N	39.7	Very low	49.3	Very low	140 Å²	140	156.6 Å²	156.6	75%	0.749	77%	0.768	S	S	*	*			trans	-99.4	135.6	-156.9	-79.8	-7.3	0	0	0	112.1
3	T	44.8	Very low	49.4	Very low	134 Å²	134	154.1 Å²	154.1	82%	0.822	76%	0.759	S	S	*	*			trans	40.2	79.5	138.4	61	0	0	0	0	118.2
4	I	49.6	Very low	49.7	Very low	158 Å²	158	147.6 Å²	147.6	81%	0.81	74%	0.743	S	S	*	*			trans	-128.5	-3	164.7	-63.9	-179.3	0	0	0	113.1
5	F	47	Very low	49.8	Very low	197 Å²	197	146.5 Å²	146.5	86%	0.864	74%	0.739	S	S	*	*	S	Bend	trans	-96.1	6.4	-171.2	-117.4	-89.6	0	0	0	117.5
6	S	56	Low	50	Low	79 Å²	79	142.7 Å²	142.7	55%	0.552	73%	0.725	S	S	*	*	S	Bend	trans	-104.7	-18	-174.3	-172.2	0	0	0	0	115.5	M10	S6-M10 WeakPolarHBondContact OG-CE 3.44Å
7	A	52.3	Low	50.2	Low	69 Å²	69	139.6 Å²	139.6	57%	0.57	72%	0.716	S	S	*	*	H	α-helix	trans	-82.3	-21.5	-171.2	0	0	0	0	0	115.4
8	R	52.8	Low	50.3	Low	226 Å²	226	135.2 Å²	135.2	85%	0.853	70%	0.703	S	S	*	*	H	α-helix	trans	-83.9	-26.5	-177	-83.8	-175.3	174.9	-179.4	-0.7	114.2
9	I	54.3	Low	50.4	Low	128 Å²	128	133.9 Å²	133.9	66%	0.656	70%	0.697	S	S	*	*	H	α-helix	trans	-80.7	-38	179.5	-68.4	168.2	0	0	0	110.6	K11 R12 L13	I9-K11 PolarHBondContact O-N 3.05Å; I9-R12 PolarHBondContact O-N 3.15Å; I9-L13 PolarHBondContact O-N 3.36Å
10	M	50.5	Low	50.6	Low	127 Å²	127	131.3 Å²	131.3	63%	0.626	69%	0.689	S	S	*	*	H	α-helix	trans	-65.8	-35	175.8	-104.6	179.1	-79.1	0	0	113.6	S6 R12 L13 A14	S6-M10 WeakPolarHBondContact OG-CE 3.44Å; M10-R12 VanDerWaalsContact C-N 3.35Å; M10-R12 PolarHBondContact O-N 3.22Å; M10-L13 PolarHBondContact O-N 3.28Å; M10-A14 PolarHBondContact O-N 3.42Å; M10-A14 VanDerWaalsContact O-N 3.15Å
11	K	50.1	Low	50.7	Low	171 Å²	171	129.3 Å²	129.3	74%	0.743	68%	0.683	S	S	*	*	H	α-helix	trans	-69.7	-28.3	175.9	-80.7	-170.9	175.8	-174.4	0	113.7	I9 L15	I9-K11 PolarHBondContact O-N 3.05Å; K11-L15 PolarHBondContact O-N 3.05Å
12	R	51.8	Low	51.2	Low	210 Å²	210	120.9 Å²	120.9	79%	0.792	65%	0.651	S	S	*	*	H	α-helix	trans	-79	-32.3	176.3	-75.5	-168.8	174.2	-158.8	-1.6	112.4	I9 M10 T16	I9-R12 PolarHBondContact O-N 3.15Å; M10-R12 VanDerWaalsContact C-N 3.35Å; M10-R12 PolarHBondContact O-N 3.22Å; R12-T16 PolarHBondContact O-N 3.3Å; R12-T16 PolarHBondContact O-OG1 2.92Å
13	L	50.2	Low	51.8	Low	124 Å²	124	121.4 Å²	121.4	65%	0.649	65%	0.647	S	S	*	*	H	α-helix	trans	-73	-38.4	176.9	-150.1	74.6	0	0	0	112.1	I9 M10 L15 T16 T17	I9-L13 PolarHBondContact O-N 3.36Å; M10-L13 PolarHBondContact O-N 3.28Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.4Å; L13-T16 PolarHBondContact O-N 3.29Å; L13-T16 PolarHBondContact O-OG1 3.34Å; L13-T17 PolarHBondContact O-N 3.47Å; L13-T17 PolarHBondContact O-OG1 3.38Å
14	A	53.5	Low	52.2	Low	64 Å²	64	120.1 Å²	120.1	53%	0.529	63%	0.634	S	S	.	*	H	α-helix	trans	-67.9	-28.2	176.7	0	0	0	0	0	113.5	M10 A18	M10-A14 PolarHBondContact O-N 3.42Å; M10-A14 VanDerWaalsContact O-N 3.15Å; A14-A18 PolarHBondContact O-N 3.02Å
15	L	51	Low	52.3	Low	130 Å²	130	116.7 Å²	116.7	68%	0.681	62%	0.624	S	S	*	*	H	α-helix	trans	-78	-29.5	179.3	-153	75.3	0	0	0	112.5	K11 L13 L19	K11-L15 PolarHBondContact O-N 3.05Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.4Å; L15-L19 PolarHBondContact O-N 3.06Å
16	T	53.1	Low	52.6	Low	86 Å²	86	110.1 Å²	110.1	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-77.1	-33.7	174.5	22.2	0	0	0	0	113	R12 L13 C20	R12-T16 PolarHBondContact O-N 3.3Å; R12-T16 PolarHBondContact O-OG1 2.92Å; L13-T16 PolarHBondContact O-N 3.29Å; L13-T16 PolarHBondContact O-OG1 3.34Å; T16-C20 PolarHBondContact O-N 3.32Å
17	T	53.9	Low	52.4	Low	91 Å²	91	109.5 Å²	109.5	56%	0.558	61%	0.606	S	S	*	*	H	α-helix	trans	-71.1	-36.1	176	-10	0	0	0	0	112.5	L13 L19 C20 T21	L13-T17 PolarHBondContact O-N 3.47Å; L13-T17 PolarHBondContact O-OG1 3.38Å; T17-L19 VanDerWaalsContact C-N 3.33Å; T17-L19 PolarHBondContact O-N 2.96Å; T17-C20 PolarHBondContact O-N 3.44Å; T17-T21 PolarHBondContact O-N 3.26Å; T17-T21 PolarHBondContact O-OG1 3.46Å
18	A	52.3	Low	52.5	Low	59 Å²	59	112.8 Å²	112.8	49%	0.488	61%	0.609	S	S	.	*	H	α-helix	trans	-68.5	-30.5	177.2	0	0	0	0	0	112.9	A14 T21	A14-A18 PolarHBondContact O-N 3.02Å; A18-T21 PolarHBondContact O-OG1 3.22Å; A18-T21 VanDerWaalsContact O-OG1 3.12Å
19	L	52.2	Low	52.4	Low	111 Å²	111	104.6 Å²	104.6	58%	0.581	59%	0.59	S	S	*	*	H	α-helix	trans	-72.4	-38.9	175.7	-130.1	77.6	0	0	0	111.7	L15 T17 T21 A22 F23	L15-L19 PolarHBondContact O-N 3.06Å; T17-L19 VanDerWaalsContact C-N 3.33Å; T17-L19 PolarHBondContact O-N 2.96Å; L19-T21 PolarHBondContact O-N 3.46Å; L19-A22 PolarHBondContact O-N 3.19Å; L19-F23 HydrophobicContact CG-CE2 4.47Å; L19-F23 VanDerWaalsContact O-CD2 3.27Å; L19-F23 WeakPolarHBondContact O-CD2 3.49Å
20	C	53.3	Low	52.3	Low	82 Å²	82	104.5 Å²	104.5	55%	0.554	59%	0.59	S	S	*	*	H	α-helix	trans	-69.4	-32	179.3	-72.2	0	0	0	0	113.6	T16 T17 I24	T16-C20 PolarHBondContact O-N 3.32Å; T17-C20 PolarHBondContact O-N 3.44Å; C20-I24 WeakPolarHBondContact O-CG1 3.39Å; C20-I24 PolarHBondContact O-N 3.38Å
21	T	53.2	Low	52.6	Low	89 Å²	89	103 Å²	103	55%	0.546	59%	0.585	S	S	.	*	H	α-helix	trans	-72.6	-26.6	177.1	44.3	0	0	0	0	113.6	T17 A18 L19 S25	T17-T21 PolarHBondContact O-N 3.26Å; T17-T21 PolarHBondContact O-OG1 3.46Å; A18-T21 PolarHBondContact O-OG1 3.22Å; A18-T21 VanDerWaalsContact O-OG1 3.12Å; L19-T21 PolarHBondContact O-N 3.46Å; T21-S25 PolarHBondContact O-N 2.9Å; T21-S25 PolarHBondContact O-OG 3.1Å; T21-S25 VanDerWaalsContact O-OG 3.05Å
22	A	53.2	Low	53	Low	63 Å²	63	100.4 Å²	100.4	52%	0.521	58%	0.579	S	S	.	*	H	α-helix	trans	-73.8	-34.4	176.8	0	0	0	0	0	112.5	L19 A26	L19-A22 PolarHBondContact O-N 3.19Å; A22-A26 PolarHBondContact O-N 3.14Å
23	F	52.2	Low	53.9	Low	151 Å²	151	95.7 Å²	95.7	66%	0.662	57%	0.569	S	S	*	*	H	α-helix	trans	-74.3	-30.8	178.3	-80.3	-74.7	0	0	0	113.8	L19 A27	L19-F23 HydrophobicContact CG-CE2 4.47Å; L19-F23 VanDerWaalsContact O-CD2 3.27Å; L19-F23 WeakPolarHBondContact O-CD2 3.49Å; F23-A27 PolarHBondContact O-N 2.69Å
24	I	53.1	Low	55.1	Low	108 Å²	108	95 Å²	95	55%	0.554	57%	0.565	S	S	*	*	H	α-helix	trans	-74.1	-33.5	178.5	-60.8	166.9	0	0	0	111.1	C20 H28	C20-I24 WeakPolarHBondContact O-CG1 3.39Å; C20-I24 PolarHBondContact O-N 3.38Å; I24-H28 PolarHBondContact O-CD2 3.18Å
25	S	52.9	Low	56.2	Low	86 Å²	86	95.8 Å²	95.8	60%	0.601	56%	0.557	S	S	*	*	H	α-helix	trans	-74.1	-32.9	179.7	-54.5	0	0	0	0	112.6	T21	T21-S25 PolarHBondContact O-N 2.9Å; T21-S25 PolarHBondContact O-OG 3.1Å; T21-S25 VanDerWaalsContact O-OG 3.05Å
26	A	52.4	Low	57.6	Low	58 Å²	58	92.5 Å²	92.5	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-69.9	-36.8	176.9	0	0	0	0	0	112.5	A22 H28 A29	A22-A26 PolarHBondContact O-N 3.14Å; A26-H28 VanDerWaalsContact C-N 3.26Å; A26-H28 PolarHBondContact O-N 2.86Å; A26-A29 PolarHBondContact O-N 2.83Å
27	A	52.4	Low	59.1	Low	66 Å²	66	92.5 Å²	92.5	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-25.7	-179.4	0	0	0	0	0	113.7	F23	F23-A27 PolarHBondContact O-N 2.69Å
28	H	53.4	Low	60.5	Low	138 Å²	138	95.6 Å²	95.6	64%	0.639	55%	0.549	S	S	*	.	H	α-helix	trans	-83.8	-22.1	177.7	-77.4	-57.4	0	0	0	114.2	I24 A26	I24-H28 PolarHBondContact O-CD2 3.18Å; A26-H28 VanDerWaalsContact C-N 3.26Å; A26-H28 PolarHBondContact O-N 2.86Å
29	A	52.5	Low	62.2	Low	54 Å²	54	93.5 Å²	93.5	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-75.3	-34.8	-179.1	0	0	0	0	0	112.7	A26 N33	A26-A29 PolarHBondContact O-N 2.83Å; A29-N33 PolarHBondContact O-ND2 2.79Å; A29-N33 VanDerWaalsContact O-ND2 3.16Å
30	D	51.5	Low	64.1	Low	126 Å²	126	91.2 Å²	91.2	67%	0.674	53%	0.533	S	S	*	.	H	α-helix	trans	-72.5	-35.7	179.3	-75	-20	0	0	0	112.3	I34	D30-I34 PolarHBondContact O-N 2.95Å
31	D	56.9	Low	66.1	Low	96 Å²	96	90.5 Å²	90.5	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-75.2	-27.8	-174.3	-145.1	26.8	0	0	0	112.8	K35	D31-K35 WeakPolarHBondContact O-CG 3.41Å
32	L	58	Low	68.1	Low	117 Å²	117	87.6 Å²	87.6	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-72.6	-44.2	175.2	-161.6	78.7	0	0	0	111.3	I34 K35 T36	L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 2.83Å; L32-K35 PolarHBondContact O-N 3.24Å; L32-T36 PolarHBondContact O-N 2.9Å; L32-T36 VanDerWaalsContact O-N 3.16Å; L32-T36 PolarHBondContact O-OG1 2.87Å
33	N	70.7	Confident	70.2	Confident	111 Å²	111	92 Å²	92	59%	0.594	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-37	-176	-81.7	-41.5	0	0	0	112.6	A29 M37	A29-N33 PolarHBondContact O-ND2 2.79Å; A29-N33 VanDerWaalsContact O-ND2 3.16Å; N33-M37 PolarHBondContact O-N 2.68Å; N33-M37 VanDerWaalsContact O-N 3.12Å
34	I	76.2	Confident	72.3	Confident	110 Å²	110	85 Å²	85	56%	0.564	49%	0.488	S	S	*	.	H	α-helix	trans	-71.3	-32.1	178.4	-153.5	68.6	0	0	0	112.1	D30 L32 M37	D30-I34 PolarHBondContact O-N 2.95Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 2.83Å; I34-M37 HydrophobicContact CD1-SD 4.13Å; I34-M37 WeakPolarHBondContact O-CB 3.4Å; I34-M37 PolarHBondContact O-N 2.79Å
35	K	75.5	Confident	74.4	Confident	80 Å²	80	82.6 Å²	82.6	35%	0.348	48%	0.476	S	S	.	.	H	α-helix	trans	-74.5	-30.6	178.4	-75.7	-168.2	-178.6	-179.2	0	113.7	D31 L32 R333	D31-K35 WeakPolarHBondContact O-CG 3.41Å; L32-K35 PolarHBondContact O-N 3.24Å; K35-R333 WeakPolarHBondContact O-CD 3.26Å; K35-R333 PolarHBondContact O-NH1 2.68Å
36	T	80.5	Confident	76.5	Confident	61 Å²	61	79 Å²	79	37%	0.374	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	9.5	176.2	59.7	0	0	0	0	112.6	L32 I38	L32-T36 PolarHBondContact O-N 2.9Å; L32-T36 VanDerWaalsContact O-N 3.16Å; L32-T36 PolarHBondContact O-OG1 2.87Å; T36-I38 PolarHBondContact O-N 2.89Å
37	M	84.3	Confident	78.7	Confident	85 Å²	85	80.4 Å²	80.4	42%	0.419	45%	0.449	S	S	.	.			trans	-61.1	122.4	-179	-175.1	-175.7	69.8	0	0	110.5	N33 I34 P39 F291	N33-M37 PolarHBondContact O-N 2.68Å; N33-M37 VanDerWaalsContact O-N 3.12Å; I34-M37 HydrophobicContact CD1-SD 4.13Å; I34-M37 WeakPolarHBondContact O-CB 3.4Å; I34-M37 PolarHBondContact O-N 2.79Å; M37-P39 WeakPolarHBondContact O-CD 3.42Å; M37-F291 HydrophobicContact CE-CD1 4.33Å; M37-F291 HydrophobicContact CE-CE1 3.91Å
38	I	83.4	Confident	80.9	Confident	157 Å²	157	77.2 Å²	77.2	81%	0.805	42%	0.423	S	S	*	.			trans	-83.3	114	166.3	-58.9	176.1	0	0	0	106.6	T36 G40	T36-I38 PolarHBondContact O-N 2.89Å; I38-G40 PolarHBondContact O-N 3.45Å
39	P	88.3	Confident	83	Confident	14 Å²	14	71.3 Å²	71.3	9%	0.091	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63.5	130.6	-178.7	28.2	-36.4	0	0	0	110	M37 V41 W287 F291 F292	M37-P39 WeakPolarHBondContact O-CD 3.42Å; P39-V41 PolarHBondContact O-N 3.22Å; P39-W287 HydrophobicContact CB-CZ2 3.99Å; P39-W287 HydrophobicContact CG-CH2 4.43Å; P39-W287 HydrophobicContact CG-CZ2 3.67Å; P39-F291 HydrophobicContact CB-CB 3.91Å; P39-F291 HydrophobicContact CB-CD1 3.75Å; P39-F291 HydrophobicContact CB-CD2 3.6Å; P39-F291 HydrophobicContact CB-CE1 4.09Å; P39-F291 HydrophobicContact CB-CE2 3.91Å; P39-F291 HydrophobicContact CB-CG 3.49Å; P39-F291 VanDerWaalsContact CB-CG 3.49Å; P39-F291 HydrophobicContact CB-CZ 4.15Å; P39-F291 HydrophobicContact CG-CB 3.76Å; P39-F291 HydrophobicContact CG-CD1 4.43Å; P39-F291 HydrophobicContact CG-CD2 4.28Å; P39-F291 HydrophobicContact CG-CG 3.94Å; P39-F292 HydrophobicContact CG-CE2 4.03Å; P39-F292 HydrophobicContact CG-CZ 4.03Å
40	G	91.5	Very high	85.2	Confident	64 Å²	64	68.8 Å²	68.8	66%	0.66	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59.2	130.5	170.7	0	0	0	0	0	110.3	I38 W287	I38-G40 PolarHBondContact O-N 3.45Å; G40-W287 PolarHBondContact O-NE1 2.92Å
41	V	96	Very high	87.5	Confident	67 Å²	67	62.8 Å²	62.8	41%	0.406	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-71.6	134.1	176.8	-177.2	0	0	0	0	108.6	P39 Y49 A61 W287	P39-V41 PolarHBondContact O-N 3.22Å; V41-Y49 HydrophobicContact CG1-CE2 4.4Å; V41-Y49 WeakPolarHBondContact CG1-OH 3.48Å; V41-A61 HydrophobicContact CG1-CB 3.82Å; V41-A61 HydrophobicContact CG2-CB 4.13Å; V41-W287 HydrophobicContact CG2-CH2 4.04Å; V41-W287 HydrophobicContact CG2-CZ2 3.9Å
42	P	96.3	Very high	89.5	Confident	27 Å²	27	58.5 Å²	58.5	18%	0.175	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-64.7	146.7	177.9	-15.7	30.1	0	0	0	110.8	I44 K283 W287	P42-I44 HydrophobicContact CB-CD1 4.49Å; P42-I44 PolarHBondContact O-N 3.23Å; P42-K283 HydrophobicContact CB-CD 3.48Å; P42-K283 VanDerWaalsContact CB-CD 3.48Å; P42-K283 HydrophobicContact CB-CG 3.8Å; P42-K283 HydrophobicContact CG-CD 4.38Å; P42-K283 HydrophobicContact CG-CG 4.17Å; P42-W287 VanDerWaalsContact CD-CD1 3.47Å; P42-W287 HydrophobicContact CG-CB 3.83Å; P42-W287 HydrophobicContact CG-CD2 4.49Å; P42-W287 HydrophobicContact CG-CG 3.7Å
43	Q	95.6	Very high	91.4	Very high	155 Å²	155	52.9 Å²	52.9	72%	0.724	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-64.5	126.4	170.1	-167.8	68.4	11.2	0	0	109.7	K283	Q43-K283 PolarHBondContact O-NZ 2.91Å
44	I	97.2	Very high	92.8	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	27%	0.27	C	S	.	.			trans	-110	123.9	179.6	-59.9	-53	0	0	0	110	P42 A46 Y49 E280 K283 L284	P42-I44 HydrophobicContact CB-CD1 4.49Å; P42-I44 PolarHBondContact O-N 3.23Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 HydrophobicContact CG2-CB 4.04Å; I44-A46 PolarHBondContact O-N 3.29Å; I44-Y49 HydrophobicContact CB-CD1 3.61Å; I44-Y49 HydrophobicContact CB-CE1 3.59Å; I44-Y49 HydrophobicContact CB-CG 4.35Å; I44-Y49 HydrophobicContact CG1-CD1 3.95Å; I44-Y49 HydrophobicContact CG1-CE1 3.77Å; I44-Y49 HydrophobicContact CG1-CE2 4.39Å; I44-Y49 HydrophobicContact CG1-CG 4.32Å; I44-Y49 HydrophobicContact CG2-CD1 3.62Å; I44-Y49 HydrophobicContact CG2-CE1 4.16Å; I44-Y49 HydrophobicContact CG2-CG 4.14Å; I44-E280 VanDerWaalsContact CA-OE2 3.3Å; I44-E280 WeakPolarHBondContact CA-OE2 3.39Å; I44-E280 HydrophobicContact CG2-CB 4.12Å; I44-E280 HydrophobicContact CG2-CG 4.48Å; I44-K283 HydrophobicContact CD1-CB 4.38Å; I44-K283 HydrophobicContact CD1-CD 4.04Å; I44-L284 HydrophobicContact CD1-CD1 4.35Å; I44-L284 HydrophobicContact CD1-CD2 3.88Å; I44-L284 HydrophobicContact CD1-CG 3.66Å; I44-L284 HydrophobicContact CG1-CD1 4.28Å; I44-L284 HydrophobicContact CG1-CD2 3.85Å; I44-L284 HydrophobicContact CG1-CG 3.96Å
45	D	96.8	Very high	93.8	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	25%	0.254	S	S	.	.			trans	-84.5	66.5	179.1	-168.7	38.3	0	0	0	112.6	R272 E280	D45-R272 WeakPolarHBondContact OD1-CD 3.41Å; D45-R272 IonicContact OD1-CZ 2.67Å; D45-R272 IonicContact OD1-NE 3.51Å; D45-R272 PolarHBondContact OD1-NE 2.95Å; D45-R272 IonicContact OD1-NH1 3.21Å; D45-R272 PolarHBondContact OD1-NH1 2.83Å; D45-R272 IonicContact OD1-NH2 3Å; D45-E280 HydrophobicContact CB-CG 4.29Å; D45-E280 PolarHBondContact N-OE2 2.89Å
46	A	97.3	Very high	94.9	Very high	12 Å²	12	44.1 Å²	44.1	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	159.6	177.8	0	0	0	0	0	111.5	I44 V268	I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 HydrophobicContact CG2-CB 4.04Å; I44-A46 PolarHBondContact O-N 3.29Å; A46-V268 HydrophobicContact CB-CG1 3.41Å; A46-V268 VanDerWaalsContact CB-CG1 3.41Å
47	E	97.8	Very high	95.7	Very high	86 Å²	86	42.9 Å²	42.9	40%	0.402	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-35.2	178.5	-65.1	-64.7	137.2	0	0	113.2	N64 R69 M269 G270	E47-N64 PolarHBondContact O-ND2 2.87Å; E47-R69 IonicContact OE2-NH1 2.75Å; E47-M269 PolarHBondContact N-O 2.85Å; E47-G270 PolarHBondContact N-O 3.03Å
48	S	98.5	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	148.9	176.4	61.5	0	0	0	0	111.9	Q63 N64 R69 M269	S48-Q63 CarbonylContact C-O 3.56Å; S48-Q63 VanDerWaalsContact CA-O 3.26Å; S48-Q63 WeakPolarHBondContact CA-O 3.45Å; S48-N64 VanDerWaalsContact CB-O 3.3Å; S48-N64 WeakPolarHBondContact CB-O 3.49Å; S48-R69 VanDerWaalsContact OG-CD 3.27Å; S48-R69 WeakPolarHBondContact OG-CD 3.42Å; S48-M269 PolarHBondContact N-O 3.49Å; S48-M269 VanDerWaalsContact N-O 3.11Å; S48-M269 PolarHBondContact O-N 3.01Å
49	Y	98.7	Very high	97	Very high	13 Å²	13	37.4 Å²	37.4	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.3	171.1	67.5	-93.6	0	0	0	113.2	V41 I44 A61 E62 Q63 A267 L284	V41-Y49 HydrophobicContact CG1-CE2 4.4Å; V41-Y49 WeakPolarHBondContact CG1-OH 3.48Å; I44-Y49 HydrophobicContact CB-CD1 3.61Å; I44-Y49 HydrophobicContact CB-CE1 3.59Å; I44-Y49 HydrophobicContact CB-CG 4.35Å; I44-Y49 HydrophobicContact CG1-CD1 3.95Å; I44-Y49 HydrophobicContact CG1-CE1 3.77Å; I44-Y49 HydrophobicContact CG1-CE2 4.39Å; I44-Y49 HydrophobicContact CG1-CG 4.32Å; I44-Y49 HydrophobicContact CG2-CD1 3.62Å; I44-Y49 HydrophobicContact CG2-CE1 4.16Å; I44-Y49 HydrophobicContact CG2-CG 4.14Å; Y49-A61 HydrophobicContact CE2-CB 4.06Å; Y49-E62 WeakPolarHBondContact O-CA 3.22Å; Y49-Q63 HydrophobicContact CD1-CB 3.81Å; Y49-Q63 HydrophobicContact CE1-CB 3.27Å; Y49-Q63 HydrophobicContact CE1-CG 4.25Å; Y49-Q63 VanDerWaalsContact CE1-OE1 3.28Å; Y49-Q63 HydrophobicContact CE2-CB 4.3Å; Y49-Q63 PolarHBondContact N-O 3.04Å; Y49-Q63 PolarHBondContact O-N 3.28Å; Y49-A267 CarbonylContact C-O 3.54Å; Y49-A267 WeakPolarHBondContact CA-O 3.46Å; Y49-L284 HydrophobicContact CD2-CD1 3.74Å; Y49-L284 HydrophobicContact CD2-CD2 3.96Å; Y49-L284 HydrophobicContact CD2-CG 4.5Å; Y49-L284 HydrophobicContact CE2-CD2 3.98Å; Y49-L284 HydrophobicContact CG-CD1 4Å
50	I	98.9	Very high	97.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.1	165.5	-165.5	170.7	0	0	0	109.9	I52 V59 A61 E62 A65 A191 R192 A195 S266 A267	I50-I52 HydrophobicContact CD1-CG2 3.69Å; I50-I52 HydrophobicContact CG1-CG2 3.77Å; I50-V59 HydrophobicContact CD1-CG1 3.96Å; I50-V59 HydrophobicContact CD1-CG2 4.05Å; I50-V59 HydrophobicContact CG1-CG1 3.77Å; I50-A61 CarbonylContact C-O 3.44Å; I50-A61 WeakPolarHBondContact CA-O 3.2Å; I50-E62 HydrophobicContact CG1-CB 4.14Å; I50-A65 HydrophobicContact CB-CB 4.13Å; I50-A65 HydrophobicContact CD1-CB 4.25Å; I50-A65 HydrophobicContact CG1-CB 4.46Å; I50-A191 HydrophobicContact CB-CB 4.48Å; I50-A191 HydrophobicContact CG2-CB 4.18Å; I50-A191 VanDerWaalsContact CG2-O 3.29Å; I50-A191 WeakPolarHBondContact CG2-O 3.41Å; I50-R192 HydrophobicContact CD1-CB 3.97Å; I50-R192 HydrophobicContact CD1-CG 3.82Å; I50-A195 HydrophobicContact CG2-CB 3.55Å; I50-S266 CarbonylContact O-C 3.6Å; I50-S266 VanDerWaalsContact O-CA 3.29Å; I50-S266 WeakPolarHBondContact O-CA 3.3Å; I50-A267 HydrophobicContact CG2-CB 3.96Å; I50-A267 PolarHBondContact N-O 2.98Å; I50-A267 PolarHBondContact O-N 2.91Å
51	L	98.9	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.5	167.1	-179	68.9	0	0	0	108.6	L60 A61 L264 I265 L284 L285 W287	L51-L60 HydrophobicContact CD2-CB 4.15Å; L51-L60 HydrophobicContact CD2-CD2 4.2Å; L51-L60 HydrophobicContact CG-CB 4.31Å; L51-L60 HydrophobicContact CG-CD2 4.47Å; L51-L60 PolarHBondContact O-N 2.83Å; L51-A61 HydrophobicContact CB-CB 4.39Å; L51-A61 PolarHBondContact N-O 3.02Å; L51-L264 HydrophobicContact CD1-CB 4.12Å; L51-L264 HydrophobicContact CD1-CD1 4.34Å; L51-I265 WeakPolarHBondContact CA-O 3.32Å; L51-L284 HydrophobicContact CD1-CB 4.4Å; L51-L284 HydrophobicContact CD2-CB 4.41Å; L51-L284 VanDerWaalsContact CD2-O 3.23Å; L51-L284 WeakPolarHBondContact CD2-O 3.3Å; L51-L285 HydrophobicContact CD1-CD2 3.99Å; L51-W287 HydrophobicContact CD2-CE3 3.82Å; L51-W287 HydrophobicContact CD2-CZ3 4Å
52	I	98.9	Very high	98	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.2	178.2	69.2	174	0	0	0	111.5	I50 K58 V59 A195 Q199 L264 I265	I50-I52 HydrophobicContact CD1-CG2 3.69Å; I50-I52 HydrophobicContact CG1-CG2 3.77Å; I52-K58 CarbonylContact C-O 3.55Å; I52-K58 WeakPolarHBondContact CA-O 3.39Å; I52-K58 WeakPolarHBondContact CB-O 3.43Å; I52-V59 HydrophobicContact CG2-CG2 4.04Å; I52-A195 HydrophobicContact CD1-CB 3.88Å; I52-A195 HydrophobicContact CG1-CB 4.28Å; I52-Q199 HydrophobicContact CD1-CB 4.49Å; I52-L264 WeakPolarHBondContact O-CA 3.17Å; I52-L264 WeakPolarHBondContact O-CD2 3.43Å; I52-I265 HydrophobicContact CD1-CB 4.33Å; I52-I265 HydrophobicContact CD1-CD1 4.29Å; I52-I265 HydrophobicContact CG1-CB 3.8Å; I52-I265 HydrophobicContact CG1-CD1 4.45Å; I52-I265 PolarHBondContact N-O 3.14Å; I52-I265 PolarHBondContact O-N 2.81Å
53	D	98.9	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.7	161.3	-179.4	-83.9	0	0	0	110.2	N55 S56 G57 K58 L60 L264 T294 T328	D53-N55 WeakPolarHBondContact OD1-CA 3.36Å; D53-N55 PolarHBondContact OD1-N 3.09Å; D53-S56 WeakPolarHBondContact CB-OG 3.33Å; D53-S56 PolarHBondContact OD1-N 2.83Å; D53-S56 PolarHBondContact OD1-OG 2.8Å; D53-G57 WeakPolarHBondContact O-CA 3.44Å; D53-G57 PolarHBondContact O-N 2.88Å; D53-K58 PolarHBondContact N-O 2.85Å; D53-L60 HydrophobicContact CB-CD1 4.13Å; D53-L264 HydrophobicContact CB-CD2 4.1Å; D53-T294 WeakPolarHBondContact OD2-CB 3.48Å; D53-T294 PolarHBondContact OD2-OG1 3.47Å; D53-T328 HydrophobicContact CB-CG2 4.28Å; D53-T328 WeakPolarHBondContact CB-OG1 3.38Å
54	Y	98.9	Very high	98.2	Very high	45 Å²	45	35.4 Å²	35.4	18%	0.176	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43	-177.3	160.7	-98.3	0	0	0	112.8	Q199 I202 R203 R263 I265	Y54-Q199 HydrophobicContact CD2-CB 4.48Å; Y54-Q199 HydrophobicContact CD2-CG 3.72Å; Y54-Q199 HydrophobicContact CE2-CG 4.07Å; Y54-Q199 PolarHBondContact O-NE2 2.99Å; Y54-I202 HydrophobicContact CD2-CB 4.11Å; Y54-I202 HydrophobicContact CD2-CD1 4.27Å; Y54-I202 HydrophobicContact CD2-CG2 3.92Å; Y54-I202 HydrophobicContact CE1-CG2 4.4Å; Y54-I202 HydrophobicContact CE2-CB 3.69Å; Y54-I202 HydrophobicContact CE2-CG2 3.42Å; Y54-I202 VanDerWaalsContact CE2-CG2 3.42Å; Y54-R203 HydrophobicContact CE2-CB 4.06Å; Y54-R203 WeakPolarHBondContact OH-CA 3.35Å; Y54-R263 WeakPolarHBondContact CB-O 3.41Å; Y54-R263 HydrophobicContact CD1-CB 4.27Å; Y54-R263 HydrophobicContact CD1-CG 4.44Å; Y54-R263 HydrophobicContact CG-CB 4.36Å; Y54-R263 HydrophobicContact CG-CG 4.13Å; Y54-R263 PolarHBondContact N-O 3.22Å; Y54-I265 HydrophobicContact CD2-CD1 4.1Å
55	N	97.9	Very high	98.3	Very high	46 Å²	46	35.2 Å²	35.2	25%	0.246	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-43.7	-171.6	-63.9	-66.1	0	0	0	111.7	D53 Q261 T294 Y326	D53-N55 WeakPolarHBondContact OD1-CA 3.36Å; D53-N55 PolarHBondContact OD1-N 3.09Å; N55-Q261 PolarHBondContact ND2-O 2.96Å; N55-T294 HydrophobicContact CB-CG2 4.39Å; N55-Y326 HydrophobicContact CB-CD1 3.49Å; N55-Y326 VanDerWaalsContact CB-CD1 3.49Å; N55-Y326 HydrophobicContact CB-CD2 3.86Å; N55-Y326 HydrophobicContact CB-CE1 3.95Å; N55-Y326 HydrophobicContact CB-CE2 4.29Å; N55-Y326 HydrophobicContact CB-CG 3.42Å; N55-Y326 VanDerWaalsContact CB-CG 3.42Å
56	S	97.6	Very high	98.4	Very high	26 Å²	26	35.7 Å²	35.7	18%	0.182	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-22.5	-178.5	75.5	0	0	0	0	113	D53 K58 Y326 T328	D53-S56 WeakPolarHBondContact CB-OG 3.33Å; D53-S56 PolarHBondContact OD1-N 2.83Å; D53-S56 PolarHBondContact OD1-OG 2.8Å; S56-K58 PolarHBondContact O-N 2.52Å; S56-K58 VanDerWaalsContact OG-CB 3.23Å; S56-K58 WeakPolarHBondContact OG-CB 3.41Å; S56-K58 PolarHBondContact OG-N 3.32Å; S56-K58 VanDerWaalsContact OG-N 3.08Å; S56-Y326 WeakPolarHBondContact CB-O 3.35Å; S56-T328 WeakPolarHBondContact CB-OG1 3.43Å; S56-T328 PolarHBondContact OG-OG1 2.77Å
57	G	97.4	Very high	98.5	Very high	35 Å²	35	38.5 Å²	38.5	36%	0.361	21%	0.205	S	C	.	.			trans	70.4	6.6	-170.8	0	0	0	0	0	113.7	D53 V59	D53-G57 WeakPolarHBondContact O-CA 3.44Å; D53-G57 PolarHBondContact O-N 2.88Å; G57-V59 PolarHBondContact O-N 3.38Å
58	K	98	Very high	98.5	Very high	78 Å²	78	40.9 Å²	40.9	34%	0.339	21%	0.211	S	C	.	.			trans	-63.8	136.3	-179.2	-166.3	67	164.6	-168.3	0	109.7	I52 D53 S56 L60 E371	I52-K58 CarbonylContact C-O 3.55Å; I52-K58 WeakPolarHBondContact CA-O 3.39Å; I52-K58 WeakPolarHBondContact CB-O 3.43Å; D53-K58 PolarHBondContact N-O 2.85Å; S56-K58 PolarHBondContact O-N 2.52Å; S56-K58 VanDerWaalsContact OG-CB 3.23Å; S56-K58 WeakPolarHBondContact OG-CB 3.41Å; S56-K58 PolarHBondContact OG-N 3.32Å; S56-K58 VanDerWaalsContact OG-N 3.08Å; K58-L60 HydrophobicContact CB-CD1 4.3Å; K58-L60 WeakPolarHBondContact O-CD1 3.37Å; K58-E371 IonicContact NZ-OE1 3.2Å; K58-E371 PolarHBondContact NZ-OE1 3.33Å
59	V	98.6	Very high	98.5	Very high	48 Å²	48	43.2 Å²	43.2	29%	0.291	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121	168.9	-173.8	0	0	0	0	108.7	I50 I52 G57 E62	I50-V59 HydrophobicContact CD1-CG1 3.96Å; I50-V59 HydrophobicContact CD1-CG2 4.05Å; I50-V59 HydrophobicContact CG1-CG1 3.77Å; I52-V59 HydrophobicContact CG2-CG2 4.04Å; G57-V59 PolarHBondContact O-N 3.38Å; V59-E62 HydrophobicContact CG1-CB 3.96Å; V59-E62 HydrophobicContact CG1-CG 3.99Å; V59-E62 WeakPolarHBondContact CG1-OE1 3.34Å
60	L	98.3	Very high	98.5	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.105	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-36.5	-178	-72.3	63.6	0	0	0	111	L51 D53 K58 L264 W287 F292 T328	L51-L60 HydrophobicContact CD2-CB 4.15Å; L51-L60 HydrophobicContact CD2-CD2 4.2Å; L51-L60 HydrophobicContact CG-CB 4.31Å; L51-L60 HydrophobicContact CG-CD2 4.47Å; L51-L60 PolarHBondContact O-N 2.83Å; D53-L60 HydrophobicContact CB-CD1 4.13Å; K58-L60 HydrophobicContact CB-CD1 4.3Å; K58-L60 WeakPolarHBondContact O-CD1 3.37Å; L60-L264 HydrophobicContact CD2-CD2 3.77Å; L60-W287 HydrophobicContact CB-CZ3 4.01Å; L60-W287 WeakPolarHBondContact O-CH2 3.39Å; L60-F292 HydrophobicContact CB-CE2 4.33Å; L60-F292 HydrophobicContact CB-CZ 4.38Å; L60-F292 HydrophobicContact CD2-CB 3.98Å; L60-F292 HydrophobicContact CD2-CD1 4.32Å; L60-F292 HydrophobicContact CD2-CD2 3.7Å; L60-F292 HydrophobicContact CD2-CE2 4.27Å; L60-F292 HydrophobicContact CD2-CG 3.73Å; L60-F292 HydrophobicContact CG-CD1 4.21Å; L60-F292 HydrophobicContact CG-CD2 4.21Å; L60-F292 HydrophobicContact CG-CE1 4.37Å; L60-F292 HydrophobicContact CG-CE2 4.4Å; L60-F292 HydrophobicContact CG-CG 4.12Å; L60-F292 HydrophobicContact CG-CZ 4.46Å; L60-T328 HydrophobicContact CD1-CG2 4.12Å; L60-T328 HydrophobicContact CD2-CG2 4.36Å; L60-T328 HydrophobicContact CG-CG2 4.3Å
61	A	98.5	Very high	98.4	Very high	6 Å²	6	43.4 Å²	43.4	5%	0.05	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	143.6	175.7	0	0	0	0	0	109.8	V41 Y49 I50 L51 L284 W287	V41-A61 HydrophobicContact CG1-CB 3.82Å; V41-A61 HydrophobicContact CG2-CB 4.13Å; Y49-A61 HydrophobicContact CE2-CB 4.06Å; I50-A61 CarbonylContact C-O 3.44Å; I50-A61 WeakPolarHBondContact CA-O 3.2Å; L51-A61 HydrophobicContact CB-CB 4.39Å; L51-A61 PolarHBondContact N-O 3.02Å; A61-L284 HydrophobicContact CB-CD2 4.45Å; A61-W287 HydrophobicContact CB-CH2 4.1Å; A61-W287 HydrophobicContact CB-CZ3 3.84Å
62	E	98.7	Very high	98.3	Very high	88 Å²	88	43.4 Å²	43.4	41%	0.411	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	147.5	175.4	57.2	171.5	101.8	0	0	112.1	Y49 I50 V59 A65 R192	Y49-E62 WeakPolarHBondContact O-CA 3.22Å; I50-E62 HydrophobicContact CG1-CB 4.14Å; V59-E62 HydrophobicContact CG1-CB 3.96Å; V59-E62 HydrophobicContact CG1-CG 3.99Å; V59-E62 WeakPolarHBondContact CG1-OE1 3.34Å; E62-A65 HydrophobicContact CB-CB 3.89Å; E62-R192 VanDerWaalsContact CD-NH2 3.32Å; E62-R192 IonicContact OE1-CZ 2.72Å; E62-R192 IonicContact OE1-NH1 3.69Å; E62-R192 PolarHBondContact OE1-NH1 2.92Å; E62-R192 VanDerWaalsContact OE1-NH1 3.12Å; E62-R192 IonicContact OE1-NH2 2.85Å; E62-R192 PolarHBondContact OE1-NH2 3.44Å; E62-R192 IonicContact OE2-CZ 3.03Å; E62-R192 IonicContact OE2-NH1 3.4Å; E62-R192 IonicContact OE2-NH2 3.9Å; E62-R192 PolarHBondContact OE2-NH2 2.91Å
63	Q	98.6	Very high	98.3	Very high	83 Å²	83	44 Å²	44	39%	0.388	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	127	167.3	-169.5	163.6	12.4	0	0	108.8	S48 Y49 A65	S48-Q63 CarbonylContact C-O 3.56Å; S48-Q63 VanDerWaalsContact CA-O 3.26Å; S48-Q63 WeakPolarHBondContact CA-O 3.45Å; Y49-Q63 HydrophobicContact CD1-CB 3.81Å; Y49-Q63 HydrophobicContact CE1-CB 3.27Å; Y49-Q63 HydrophobicContact CE1-CG 4.25Å; Y49-Q63 VanDerWaalsContact CE1-OE1 3.28Å; Y49-Q63 HydrophobicContact CE2-CB 4.3Å; Y49-Q63 PolarHBondContact N-O 3.04Å; Y49-Q63 PolarHBondContact O-N 3.28Å; Q63-A65 PolarHBondContact O-N 3.38Å; Q63-A65 VanDerWaalsContact O-N 3.1Å
64	N	98.7	Very high	98.3	Very high	88 Å²	88	44 Å²	44	47%	0.471	23%	0.226	S	C	.	.	S	Bend	trans	52.1	31	-177.5	-59.6	-29.6	0	0	0	113.2	E47 S48 D66 V67	E47-N64 PolarHBondContact O-ND2 2.87Å; S48-N64 VanDerWaalsContact CB-O 3.3Å; S48-N64 WeakPolarHBondContact CB-O 3.49Å; N64-D66 PolarHBondContact O-N 2.87Å; N64-D66 VanDerWaalsContact O-N 3.14Å; N64-V67 HydrophobicContact CB-CB 4.32Å; N64-V67 HydrophobicContact CB-CG2 3.76Å; N64-V67 WeakPolarHBondContact O-CB 3.5Å; N64-V67 PolarHBondContact O-N 2.9Å; N64-V67 VanDerWaalsContact O-N 3.1Å
65	A	98.8	Very high	98.2	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.7	-166.6	0	0	0	0	0	114.4	I50 E62 Q63 S190 A191 R192	I50-A65 HydrophobicContact CB-CB 4.13Å; I50-A65 HydrophobicContact CD1-CB 4.25Å; I50-A65 HydrophobicContact CG1-CB 4.46Å; E62-A65 HydrophobicContact CB-CB 3.89Å; Q63-A65 PolarHBondContact O-N 3.38Å; Q63-A65 VanDerWaalsContact O-N 3.1Å; A65-S190 WeakPolarHBondContact O-CB 3.33Å; A65-S190 PolarHBondContact O-OG 3.48Å; A65-A191 PolarHBondContact O-N 3.29Å; A65-A191 VanDerWaalsContact O-N 3.16Å; A65-R192 HydrophobicContact CB-CB 4.27Å; A65-R192 WeakPolarHBondContact O-CB 2.86Å; A65-R192 PolarHBondContact O-N 3.45Å
66	D	98.9	Very high	98.3	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-0.5	177.6	-64.4	-61.7	0	0	0	113.6	N64 R68 N173 R192	N64-D66 PolarHBondContact O-N 2.87Å; N64-D66 VanDerWaalsContact O-N 3.14Å; D66-R68 PolarHBondContact O-N 3.13Å; D66-N173 PolarHBondContact O-ND2 3.38Å; D66-R192 WeakPolarHBondContact OD1-CD 3.21Å; D66-R192 IonicContact OD1-CZ 2.74Å; D66-R192 IonicContact OD1-NE 2.84Å; D66-R192 PolarHBondContact OD1-NE 2.78Å; D66-R192 IonicContact OD1-NH2 3.71Å; D66-R192 IonicContact OD2-CZ 2.71Å; D66-R192 IonicContact OD2-NE 3.63Å; D66-R192 PolarHBondContact OD2-NE 2.83Å; D66-R192 VanDerWaalsContact OD2-NE 3.16Å; D66-R192 IonicContact OD2-NH2 3.83Å; D66-R192 PolarHBondContact OD2-NH2 3.11Å
67	V	98.8	Very high	98.4	Very high	71 Å²	71	38.5 Å²	38.5	43%	0.43	20%	0.198	S	C	.	.	S	Bend	trans	-66.9	127.4	176.8	175.4	0	0	0	0	109.3	N64 R69	N64-V67 HydrophobicContact CB-CB 4.32Å; N64-V67 HydrophobicContact CB-CG2 3.76Å; N64-V67 WeakPolarHBondContact O-CB 3.5Å; N64-V67 PolarHBondContact O-N 2.9Å; N64-V67 VanDerWaalsContact O-N 3.1Å; V67-R69 HydrophobicContact CG1-CG 4.25Å; V67-R69 PolarHBondContact O-N 2.91Å
68	R	98.7	Very high	98.4	Very high	135 Å²	135	36.8 Å²	36.8	51%	0.509	18%	0.18	S	C	.	.			trans	-68.1	124.3	175.2	-67.8	176.6	-176.4	-173.1	-3.6	109.7	D66 N173 Y188 S189	D66-R68 PolarHBondContact O-N 3.13Å; R68-N173 HydrophobicContact CG-CB 4.06Å; R68-N173 PolarHBondContact NE-OD1 3.2Å; R68-Y188 HydrophobicContact CB-CD2 4.14Å; R68-Y188 HydrophobicContact CB-CG 4.21Å; R68-Y188 HydrophobicContact CG-CD2 3.72Å; R68-Y188 HydrophobicContact CG-CE2 4.12Å; R68-Y188 HydrophobicContact CG-CG 4.25Å; R68-Y188 PolarHBondContact NH1-OH 3.42Å; R68-S189 CarbonylContact C-O 3.59Å; R68-S189 WeakPolarHBondContact CA-O 3.41Å
69	R	98.1	Very high	98.5	Very high	49 Å²	49	33.1 Å²	33.1	19%	0.185	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-136.1	160.7	-179.4	-66	-169.5	63.5	75.2	6.2	110.3	E47 S48 V67 P71 Y188 S189 A249 M269	E47-R69 IonicContact OE2-NH1 2.75Å; S48-R69 VanDerWaalsContact OG-CD 3.27Å; S48-R69 WeakPolarHBondContact OG-CD 3.42Å; V67-R69 HydrophobicContact CG1-CG 4.25Å; V67-R69 PolarHBondContact O-N 2.91Å; R69-P71 VanDerWaalsContact O-CD 3.31Å; R69-P71 WeakPolarHBondContact O-CD 3.36Å; R69-Y188 WeakPolarHBondContact O-CA 3.36Å; R69-S189 PolarHBondContact N-O 3.2Å; R69-S189 PolarHBondContact O-N 3.15Å; R69-S189 VanDerWaalsContact O-O 3.13Å; R69-A249 PolarHBondContact NH2-O 2.93Å; R69-M269 HydrophobicContact CB-CE 3.88Å
70	D	97.7	Very high	98.5	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	15%	0.15	C	C	.	.			trans	-66.8	119.4	170.9	-167.6	-27.2	0	0	0	110	A72 A249 N252	D70-A72 VanDerWaalsContact C-N 3.3Å; D70-A72 PolarHBondContact OD1-N 2.85Å; D70-A249 HydrophobicContact CB-CB 3.86Å; D70-A249 WeakPolarHBondContact O-CB 3.27Å; D70-N252 PolarHBondContact O-ND2 3.32Å; D70-N252 VanDerWaalsContact O-ND2 3.1Å
71	P	98.2	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.			trans	-74	-20.2	178.9	30.9	-36.3	0	0	0	113.2	R69 S73 L74 T75 Q187 M194 N252	R69-P71 VanDerWaalsContact O-CD 3.31Å; R69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-S73 PolarHBondContact O-N 2.6Å; P71-L74 HydrophobicContact CB-CB 4.27Å; P71-L74 VanDerWaalsContact O-CB 3.25Å; P71-L74 WeakPolarHBondContact O-CB 2.99Å; P71-L74 WeakPolarHBondContact O-CG 3.29Å; P71-L74 PolarHBondContact O-N 3.26Å; P71-T75 VanDerWaalsContact CG-OG1 3.24Å; P71-T75 WeakPolarHBondContact CG-OG1 3.26Å; P71-Q187 HydrophobicContact CG-CG 4.16Å; P71-M194 HydrophobicContact CB-CE 3.87Å; P71-N252 PolarHBondContact O-ND2 2.91Å; P71-N252 VanDerWaalsContact O-ND2 3.16Å
72	A	96.5	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	46.2	-137.2	-166.8	0	0	0	0	0	110.8	D70 L74 T75 G181 T246 A249	D70-A72 VanDerWaalsContact C-N 3.3Å; D70-A72 PolarHBondContact OD1-N 2.85Å; A72-L74 PolarHBondContact O-N 2.94Å; A72-T75 WeakPolarHBondContact O-CB 3.29Å; A72-T75 PolarHBondContact O-N 3.44Å; A72-T75 PolarHBondContact O-OG1 2.98Å; A72-G181 CarbonylContact C-O 3.54Å; A72-G181 WeakPolarHBondContact CA-O 3.34Å; A72-G181 WeakPolarHBondContact O-CA 3.25Å; A72-T246 HydrophobicContact CB-CG2 3.92Å; A72-A249 HydrophobicContact CB-CB 3.82Å
73	S	97.9	Very high	98.6	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-64.4	-4.2	178.2	-72.9	0	0	0	0	115.7	P71 T75 K76 S139	P71-S73 PolarHBondContact O-N 2.6Å; S73-T75 PolarHBondContact O-N 2.9Å; S73-K76 WeakPolarHBondContact O-CB 3.27Å; S73-K76 PolarHBondContact O-N 2.77Å; S73-K76 VanDerWaalsContact O-N 3.16Å; S73-K76 PolarHBondContact OG-NZ 2.81Å; S73-S139 WeakPolarHBondContact CB-OG 3.13Å; S73-S139 PolarHBondContact OG-OG 3.21Å
74	L	98.6	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-64.3	-23.1	167.5	-60.7	-171.1	0	0	0	111.9	P71 A72 K76 M77 M194 K242 N252 V254 M269	P71-L74 HydrophobicContact CB-CB 4.27Å; P71-L74 VanDerWaalsContact O-CB 3.25Å; P71-L74 WeakPolarHBondContact O-CB 2.99Å; P71-L74 WeakPolarHBondContact O-CG 3.29Å; P71-L74 PolarHBondContact O-N 3.26Å; A72-L74 PolarHBondContact O-N 2.94Å; L74-K76 PolarHBondContact O-N 2.8Å; L74-K76 VanDerWaalsContact O-N 3.09Å; L74-M77 HydrophobicContact CB-SD 4.49Å; L74-M77 HydrophobicContact CD2-SD 4.3Å; L74-M77 VanDerWaalsContact O-CB 3.23Å; L74-M77 WeakPolarHBondContact O-CB 3.46Å; L74-M77 WeakPolarHBondContact O-CG 3.12Å; L74-M77 PolarHBondContact O-N 3.36Å; L74-M194 HydrophobicContact CB-CE 4.32Å; L74-M194 HydrophobicContact CB-SD 3.62Å; L74-M194 HydrophobicContact CD1-CB 4.49Å; L74-M194 HydrophobicContact CD1-CG 4.03Å; L74-M194 HydrophobicContact CD1-SD 4.15Å; L74-K242 HydrophobicContact CD2-CB 4.01Å; L74-K242 HydrophobicContact CD2-CG 4.27Å; L74-K242 WeakPolarHBondContact CD2-O 3.45Å; L74-N252 HydrophobicContact CD1-CB 3.71Å; L74-N252 HydrophobicContact CD2-CB 4.37Å; L74-N252 HydrophobicContact CG-CB 3.86Å; L74-V254 HydrophobicContact CD1-CG2 3.84Å; L74-V254 HydrophobicContact CD2-CG2 4.11Å; L74-M269 HydrophobicContact CD1-CG 4.31Å
75	T	98.8	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-48.9	-36.2	169.7	-60.6	0	0	0	0	112.4	P71 A72 S73 M77 M78 T79 M162 F176 T178 G181	P71-T75 VanDerWaalsContact CG-OG1 3.24Å; P71-T75 WeakPolarHBondContact CG-OG1 3.26Å; A72-T75 WeakPolarHBondContact O-CB 3.29Å; A72-T75 PolarHBondContact O-N 3.44Å; A72-T75 PolarHBondContact O-OG1 2.98Å; S73-T75 PolarHBondContact O-N 2.9Å; T75-M77 PolarHBondContact O-N 2.77Å; T75-M77 VanDerWaalsContact O-N 3.1Å; T75-M78 PolarHBondContact O-N 2.94Å; T75-T79 PolarHBondContact O-N 3.47Å; T75-T79 PolarHBondContact O-OG1 3.43Å; T75-M162 HydrophobicContact CG2-CE 3.67Å; T75-F176 HydrophobicContact CG2-CD1 3.6Å; T75-F176 HydrophobicContact CG2-CE1 3.88Å; T75-F176 HydrophobicContact CG2-CG 4.49Å; T75-T178 WeakPolarHBondContact CG2-O 3.16Å; T75-G181 VanDerWaalsContact CB-CA 3.49Å; T75-G181 WeakPolarHBondContact OG1-CA 3.46Å
76	K	98.8	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-19.1	179.1	-61.2	-173	175.9	69.6	0	113.4	S73 L74 M78 T79 S80 I135 S139 N141 C144 H180	S73-K76 WeakPolarHBondContact O-CB 3.27Å; S73-K76 PolarHBondContact O-N 2.77Å; S73-K76 VanDerWaalsContact O-N 3.16Å; S73-K76 PolarHBondContact OG-NZ 2.81Å; L74-K76 PolarHBondContact O-N 2.8Å; L74-K76 VanDerWaalsContact O-N 3.09Å; K76-M78 VanDerWaalsContact C-N 3.33Å; K76-T79 WeakPolarHBondContact O-CB 3.03Å; K76-T79 PolarHBondContact O-N 3.27Å; K76-S80 WeakPolarHBondContact O-CB 3.46Å; K76-S80 PolarHBondContact O-N 3.21Å; K76-S80 PolarHBondContact O-OG 3.32Å; K76-I135 HydrophobicContact CB-CG2 4Å; K76-I135 HydrophobicContact CD-CG2 4.16Å; K76-I135 HydrophobicContact CG-CG2 4.42Å; K76-S139 WeakPolarHBondContact CE-O 3.26Å; K76-S139 PolarHBondContact NZ-O 3.05Å; K76-N141 WeakPolarHBondContact CE-OD1 3.35Å; K76-N141 PolarHBondContact NZ-OD1 3.25Å; K76-C144 WeakPolarHBondContact CE-SG 3.23Å; K76-H180 WeakPolarHBondContact CG-O 3.41Å; K76-H180 PolarHBondContact NZ-O 2.83Å
77	M	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-40.3	171	-67.5	173.8	56.4	0	0	111.6	L74 T75 Y81 M194 I197 L201 I241 K242 V254	L74-M77 HydrophobicContact CB-SD 4.49Å; L74-M77 HydrophobicContact CD2-SD 4.3Å; L74-M77 VanDerWaalsContact O-CB 3.23Å; L74-M77 WeakPolarHBondContact O-CB 3.46Å; L74-M77 WeakPolarHBondContact O-CG 3.12Å; L74-M77 PolarHBondContact O-N 3.36Å; T75-M77 PolarHBondContact O-N 2.77Å; T75-M77 VanDerWaalsContact O-N 3.1Å; M77-Y81 WeakPolarHBondContact O-CB 3.34Å; M77-Y81 PolarHBondContact O-N 3.27Å; M77-M194 HydrophobicContact SD-SD 4.4Å; M77-I197 HydrophobicContact CB-CG2 3.8Å; M77-I197 HydrophobicContact CE-CB 4.39Å; M77-I197 HydrophobicContact CE-CG2 4.11Å; M77-L201 HydrophobicContact CB-CD1 3.81Å; M77-L201 HydrophobicContact CE-CD1 4.06Å; M77-L201 HydrophobicContact CG-CD1 4.23Å; M77-I241 HydrophobicContact CE-CB 4.43Å; M77-I241 HydrophobicContact CE-CD1 4.12Å; M77-I241 HydrophobicContact CE-CG2 4.17Å; M77-I241 HydrophobicContact CG-CG2 4.25Å; M77-I241 HydrophobicContact SD-CG2 4.4Å; M77-K242 HydrophobicContact CG-CB 3.6Å; M77-K242 HydrophobicContact CG-CG 4.09Å; M77-K242 HydrophobicContact SD-CB 3.82Å; M77-V254 HydrophobicContact CE-CB 4.03Å; M77-V254 HydrophobicContact CE-CG1 3.86Å; M77-V254 HydrophobicContact CE-CG2 4.09Å; M77-V254 HydrophobicContact SD-CB 3.76Å; M77-V254 HydrophobicContact SD-CG1 4.28Å; M77-V254 HydrophobicContact SD-CG2 3.67Å
78	M	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.5	-36.2	174.3	-174.9	58.6	73.2	0	0	111.2	T75 K76 Y81 V82 M162 V166 L169 L171 F176 I197	T75-M78 PolarHBondContact O-N 2.94Å; K76-M78 VanDerWaalsContact C-N 3.33Å; M78-Y81 WeakPolarHBondContact O-CB 3.49Å; M78-Y81 PolarHBondContact O-N 3.03Å; M78-Y81 HydrophobicContact SD-CD1 3.99Å; M78-Y81 HydrophobicContact SD-CG 4.37Å; M78-V82 WeakPolarHBondContact O-CG2 3.44Å; M78-V82 PolarHBondContact O-N 3.49Å; M78-V82 HydrophobicContact SD-CG2 4.5Å; M78-M162 HydrophobicContact CB-CE 3.95Å; M78-M162 HydrophobicContact CG-CB 3.67Å; M78-M162 HydrophobicContact CG-CE 4.05Å; M78-M162 HydrophobicContact CG-CG 3.86Å; M78-V166 HydrophobicContact CE-CG2 4.2Å; M78-L169 HydrophobicContact CE-CD1 4.17Å; M78-L171 HydrophobicContact CE-CD1 4.14Å; M78-F176 HydrophobicContact CB-CD2 4.26Å; M78-F176 HydrophobicContact CB-CE1 4.46Å; M78-F176 HydrophobicContact CB-CE2 3.54Å; M78-F176 HydrophobicContact CB-CZ 3.65Å; M78-F176 HydrophobicContact CE-CE2 3.98Å; M78-F176 HydrophobicContact CG-CD2 3.97Å; M78-F176 HydrophobicContact CG-CE2 3.5Å; M78-F176 HydrophobicContact CG-CZ 4.17Å; M78-I197 HydrophobicContact CE-CD1 3.86Å; M78-I197 HydrophobicContact CE-CG1 3.78Å; M78-I197 HydrophobicContact CE-CG2 4.45Å
79	T	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.7	-51	173.1	-48.8	0	0	0	0	111.4	T75 K76 Y81 V82 I83 C144 F158 V179	T75-T79 PolarHBondContact O-N 3.47Å; T75-T79 PolarHBondContact O-OG1 3.43Å; K76-T79 WeakPolarHBondContact O-CB 3.03Å; K76-T79 PolarHBondContact O-N 3.27Å; T79-Y81 VanDerWaalsContact C-N 3.31Å; T79-Y81 PolarHBondContact O-N 3.12Å; T79-V82 PolarHBondContact O-N 2.91Å; T79-I83 HydrophobicContact CG2-CD1 4.09Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 2.82Å; T79-C144 HydrophobicContact CG2-CB 4.27Å; T79-F158 HydrophobicContact CG2-CE1 3.73Å; T79-F158 HydrophobicContact CG2-CZ 3.84Å; T79-V179 WeakPolarHBondContact CG2-O 3.48Å; T79-V179 PolarHBondContact OG1-O 2.83Å
80	S	98.9	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.3	-36.8	175	-52.8	0	0	0	0	111.6	K76 V82 I83 G84 N136 E208 Y212	K76-S80 WeakPolarHBondContact O-CB 3.46Å; K76-S80 PolarHBondContact O-N 3.21Å; K76-S80 PolarHBondContact O-OG 3.32Å; S80-V82 PolarHBondContact O-N 3.5Å; S80-I83 PolarHBondContact O-N 3.38Å; S80-G84 PolarHBondContact O-N 3.29Å; S80-N136 PolarHBondContact OG-OD1 2.84Å; S80-E208 WeakPolarHBondContact O-CG 3.46Å; S80-Y212 WeakPolarHBondContact CB-OH 3.18Å; S80-Y212 PolarHBondContact OG-OH 2.95Å
81	Y	99	Very high	98.6	Very high	6 Å²	6	26.4 Å²	26.4	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-47.3	175.9	-174.7	-92.5	0	0	0	112	M77 M78 T79 G84 Q85 Y165 L169 A200 L201 D204 V205	M77-Y81 WeakPolarHBondContact O-CB 3.34Å; M77-Y81 PolarHBondContact O-N 3.27Å; M78-Y81 WeakPolarHBondContact O-CB 3.49Å; M78-Y81 PolarHBondContact O-N 3.03Å; M78-Y81 HydrophobicContact SD-CD1 3.99Å; M78-Y81 HydrophobicContact SD-CG 4.37Å; T79-Y81 VanDerWaalsContact C-N 3.31Å; T79-Y81 PolarHBondContact O-N 3.12Å; Y81-G84 PolarHBondContact O-N 3Å; Y81-Q85 HydrophobicContact CD1-CG 4.11Å; Y81-Q85 HydrophobicContact CE1-CG 3.78Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.34Å; Y81-Q85 VanDerWaalsContact O-CG 3.29Å; Y81-Q85 WeakPolarHBondContact O-CG 3.39Å; Y81-Q85 PolarHBondContact O-N 3.23Å; Y81-Q85 PolarHBondContact OH-NE2 3.18Å; Y81-Y165 HydrophobicContact CD1-CD1 4.33Å; Y81-Y165 HydrophobicContact CD1-CD2 4.24Å; Y81-Y165 HydrophobicContact CD1-CG 4.06Å; Y81-Y165 AromaticContact CE1-CD1 3.55Å; Y81-Y165 HydrophobicContact CE1-CD1 3.55Å; Y81-Y165 HydrophobicContact CE1-CD2 4.25Å; Y81-Y165 AromaticContact CE1-CE1 3.89Å; Y81-Y165 HydrophobicContact CE1-CE1 3.89Å; Y81-Y165 AromaticContact CE1-CG 3.73Å; Y81-Y165 HydrophobicContact CE1-CG 3.73Å; Y81-L169 HydrophobicContact CE1-CD1 4.35Å; Y81-A200 HydrophobicContact CD2-CB 4.19Å; Y81-A200 HydrophobicContact CE2-CB 3.56Å; Y81-L201 HydrophobicContact CD2-CD2 4.06Å; Y81-L201 HydrophobicContact CD2-CG 4.1Å; Y81-L201 HydrophobicContact CG-CD2 4.45Å; Y81-D204 HydrophobicContact CE2-CB 3.92Å; Y81-D204 PolarHBondContact OH-OD2 2.71Å; Y81-V205 HydrophobicContact CD2-CG2 3.99Å; Y81-V205 HydrophobicContact CE2-CG2 4.4Å
82	V	98.9	Very high	98.7	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-45.6	176.8	175	0	0	0	0	111.1	M78 T79 S80 G84 Q85 A86 F158 L161 M162 Y165	M78-V82 WeakPolarHBondContact O-CG2 3.44Å; M78-V82 PolarHBondContact O-N 3.49Å; M78-V82 HydrophobicContact SD-CG2 4.5Å; T79-V82 PolarHBondContact O-N 2.91Å; S80-V82 PolarHBondContact O-N 3.5Å; V82-G84 PolarHBondContact O-N 2.94Å; V82-Q85 PolarHBondContact O-N 2.79Å; V82-A86 PolarHBondContact O-N 3.03Å; V82-F158 HydrophobicContact CB-CE1 4.14Å; V82-F158 HydrophobicContact CB-CE2 4.12Å; V82-F158 HydrophobicContact CB-CZ 3.62Å; V82-F158 HydrophobicContact CG1-CD2 4.16Å; V82-F158 HydrophobicContact CG1-CE1 4.22Å; V82-F158 HydrophobicContact CG1-CE2 3.54Å; V82-F158 HydrophobicContact CG1-CZ 3.58Å; V82-F158 HydrophobicContact CG2-CE1 4.45Å; V82-F158 HydrophobicContact CG2-CZ 4.41Å; V82-L161 HydrophobicContact CG1-CB 4.08Å; V82-L161 HydrophobicContact CG1-CD1 4.1Å; V82-L161 HydrophobicContact CG2-CB 4.43Å; V82-M162 HydrophobicContact CG2-CG 3.96Å; V82-Y165 HydrophobicContact CG2-CD2 3.76Å; V82-Y165 HydrophobicContact CG2-CE2 4.07Å
83	I	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-47.1	176.9	-68.9	164.1	0	0	0	110.6	T79 S80 Q85 A86 M87 F92 I132 I135 M147 F158	T79-I83 HydrophobicContact CG2-CD1 4.09Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 2.82Å; S80-I83 PolarHBondContact O-N 3.38Å; I83-Q85 VanDerWaalsContact C-N 3.3Å; I83-Q85 PolarHBondContact O-N 2.92Å; I83-A86 WeakPolarHBondContact O-CB 3.49Å; I83-A86 PolarHBondContact O-N 2.68Å; I83-A86 VanDerWaalsContact O-N 3.15Å; I83-M87 HydrophobicContact CG2-CG 4.49Å; I83-M87 HydrophobicContact CG2-SD 3.94Å; I83-M87 WeakPolarHBondContact O-CG 3.33Å; I83-M87 PolarHBondContact O-N 3.11Å; I83-F92 HydrophobicContact CG2-CE2 4.18Å; I83-F92 HydrophobicContact CG2-CZ 4.29Å; I83-I132 HydrophobicContact CG2-CG2 3.69Å; I83-I135 HydrophobicContact CD1-CD1 3.72Å; I83-M147 HydrophobicContact CD1-CB 3.66Å; I83-M147 HydrophobicContact CD1-CE 4.19Å; I83-M147 HydrophobicContact CD1-CG 4.03Å; I83-M147 HydrophobicContact CG1-CB 4.33Å; I83-M147 HydrophobicContact CG1-CE 4.08Å; I83-M147 HydrophobicContact CG2-CE 3.86Å; I83-F158 HydrophobicContact CG1-CE2 4.22Å; I83-F158 HydrophobicContact CG1-CZ 4.07Å
84	G	98.9	Very high	98.8	Very high	5 Å²	5	35.5 Å²	35.5	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-38.4	177.7	0	0	0	0	0	112.4	S80 Y81 V82 M87 K88	S80-G84 PolarHBondContact O-N 3.29Å; Y81-G84 PolarHBondContact O-N 3Å; V82-G84 PolarHBondContact O-N 2.94Å; G84-M87 PolarHBondContact O-N 2.9Å; G84-K88 VanDerWaalsContact O-CB 3.23Å; G84-K88 WeakPolarHBondContact O-CB 3.34Å; G84-K88 PolarHBondContact O-N 3.48Å
85	Q	98.9	Very high	98.8	Very high	33 Å²	33	40.2 Å²	40.2	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-42	175.1	-72.6	-72.3	15.1	0	0	111.6	Y81 V82 I83 K88 A89 Y165 V205	Y81-Q85 HydrophobicContact CD1-CG 4.11Å; Y81-Q85 HydrophobicContact CE1-CG 3.78Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.34Å; Y81-Q85 VanDerWaalsContact O-CG 3.29Å; Y81-Q85 WeakPolarHBondContact O-CG 3.39Å; Y81-Q85 PolarHBondContact O-N 3.23Å; Y81-Q85 PolarHBondContact OH-NE2 3.18Å; V82-Q85 PolarHBondContact O-N 2.79Å; I83-Q85 VanDerWaalsContact C-N 3.3Å; I83-Q85 PolarHBondContact O-N 2.92Å; Q85-K88 PolarHBondContact O-N 3.18Å; Q85-A89 WeakPolarHBondContact O-CB 3.28Å; Q85-A89 PolarHBondContact O-N 3.07Å; Q85-Y165 HydrophobicContact CB-CE2 4.5Å; Q85-Y165 WeakPolarHBondContact CB-OH 3.42Å; Q85-Y165 HydrophobicContact CG-CE1 4.2Å; Q85-Y165 HydrophobicContact CG-CE2 4.41Å; Q85-V205 HydrophobicContact CG-CG1 3.91Å
86	A	98.8	Very high	98.8	Very high	16 Å²	16	42.5 Å²	42.5	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-43.3	176	0	0	0	0	0	111.8	V82 I83 A89 G90 K91 F92	V82-A86 PolarHBondContact O-N 3.03Å; I83-A86 WeakPolarHBondContact O-CB 3.49Å; I83-A86 PolarHBondContact O-N 2.68Å; I83-A86 VanDerWaalsContact O-N 3.15Å; A86-A89 CarbonylContact O-C 3.56Å; A86-A89 PolarHBondContact O-N 3.41Å; A86-G90 PolarHBondContact O-N 3.24Å; A86-K91 HydrophobicContact CB-CB 4.23Å; A86-K91 HydrophobicContact CB-CG 4.35Å; A86-K91 VanDerWaalsContact O-CB 3.32Å; A86-K91 WeakPolarHBondContact O-CB 3.5Å; A86-K91 WeakPolarHBondContact O-CG 3.3Å; A86-K91 PolarHBondContact O-N 2.77Å; A86-F92 HydrophobicContact CB-CD1 4.45Å; A86-F92 HydrophobicContact CB-CE1 3.52Å; A86-F92 HydrophobicContact CB-CZ 3.6Å
87	M	98.8	Very high	98.8	Very high	37 Å²	37	46.8 Å²	46.8	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-43.8	174.8	-70.5	175	54.9	0	0	112.1	I83 G84 A89 G90 F92 E94 V128 I132	I83-M87 HydrophobicContact CG2-CG 4.49Å; I83-M87 HydrophobicContact CG2-SD 3.94Å; I83-M87 WeakPolarHBondContact O-CG 3.33Å; I83-M87 PolarHBondContact O-N 3.11Å; G84-M87 PolarHBondContact O-N 2.9Å; M87-A89 PolarHBondContact O-N 3.4Å; M87-G90 PolarHBondContact O-N 3.33Å; M87-F92 HydrophobicContact CG-CD2 3.68Å; M87-F92 HydrophobicContact CG-CE2 3.34Å; M87-F92 HydrophobicContact CG-CZ 4.22Å; M87-F92 HydrophobicContact SD-CE2 4.11Å; M87-E94 HydrophobicContact CE-CG 3.43Å; M87-E94 VanDerWaalsContact CE-CG 3.43Å; M87-V128 HydrophobicContact SD-CG1 4.28Å; M87-I132 HydrophobicContact CE-CD1 4.45Å; M87-I132 HydrophobicContact SD-CD1 4.34Å
88	K	98.7	Very high	98.8	Very high	138 Å²	138	47 Å²	47	60%	0.6	26%	0.257	S	S	*	.	H	α-helix	trans	-60	-36.1	175.5	-177.4	180	-178.5	179.8	0	112.1	G84 Q85 G90 D204	G84-K88 VanDerWaalsContact O-CB 3.23Å; G84-K88 WeakPolarHBondContact O-CB 3.34Å; G84-K88 PolarHBondContact O-N 3.48Å; Q85-K88 PolarHBondContact O-N 3.18Å; K88-G90 PolarHBondContact O-N 3.32Å; K88-D204 VanDerWaalsContact CD-O 3.3Å; K88-D204 WeakPolarHBondContact CD-O 3.49Å; K88-D204 WeakPolarHBondContact CE-O 3.46Å; K88-D204 PolarHBondContact NZ-O 3.39Å
89	A	98.6	Very high	98.8	Very high	70 Å²	70	51.1 Å²	51.1	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	3.7	175.6	0	0	0	0	0	113.8	Q85 A86 M87 K91	Q85-A89 WeakPolarHBondContact O-CB 3.28Å; Q85-A89 PolarHBondContact O-N 3.07Å; A86-A89 CarbonylContact O-C 3.56Å; A86-A89 PolarHBondContact O-N 3.41Å; M87-A89 PolarHBondContact O-N 3.4Å; A89-K91 VanDerWaalsContact C-N 3.3Å; A89-K91 HydrophobicContact CB-CG 4.3Å; A89-K91 PolarHBondContact O-N 2.85Å
90	G	98.5	Very high	98.8	Very high	63 Å²	63	51.3 Å²	51.3	65%	0.649	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	23.2	178.5	0	0	0	0	0	114.3	A86 M87 K88 F92	A86-G90 PolarHBondContact O-N 3.24Å; M87-G90 PolarHBondContact O-N 3.33Å; K88-G90 PolarHBondContact O-N 3.32Å; G90-F92 VanDerWaalsContact C-N 3.33Å
91	K	98.7	Very high	98.7	Very high	163 Å²	163	52.7 Å²	52.7	71%	0.709	30%	0.298	S	S	*	.	S	Bend	trans	-68.7	-34	178.8	-64	-64.2	-175.9	-177.9	0	112.6	A86 A89	A86-K91 HydrophobicContact CB-CB 4.23Å; A86-K91 HydrophobicContact CB-CG 4.35Å; A86-K91 VanDerWaalsContact O-CB 3.32Å; A86-K91 WeakPolarHBondContact O-CB 3.5Å; A86-K91 WeakPolarHBondContact O-CG 3.3Å; A86-K91 PolarHBondContact O-N 2.77Å; A89-K91 VanDerWaalsContact C-N 3.3Å; A89-K91 HydrophobicContact CB-CG 4.3Å; A89-K91 PolarHBondContact O-N 2.85Å
92	F	98.8	Very high	98.6	Very high	18 Å²	18	58.2 Å²	58.2	8%	0.079	33%	0.328	C	S	.	.			trans	-160.6	169.6	174.6	49.9	-99.4	0	0	0	108.9	I83 A86 M87 G90 D96 V128 M147 F150 A151	I83-F92 HydrophobicContact CG2-CE2 4.18Å; I83-F92 HydrophobicContact CG2-CZ 4.29Å; A86-F92 HydrophobicContact CB-CD1 4.45Å; A86-F92 HydrophobicContact CB-CE1 3.52Å; A86-F92 HydrophobicContact CB-CZ 3.6Å; M87-F92 HydrophobicContact CG-CD2 3.68Å; M87-F92 HydrophobicContact CG-CE2 3.34Å; M87-F92 HydrophobicContact CG-CZ 4.22Å; M87-F92 HydrophobicContact SD-CE2 4.11Å; G90-F92 VanDerWaalsContact C-N 3.33Å; F92-D96 VanDerWaalsContact CA-OD2 3.29Å; F92-D96 WeakPolarHBondContact CA-OD2 3.39Å; F92-D96 VanDerWaalsContact CB-OD2 3.28Å; F92-D96 WeakPolarHBondContact CB-OD2 3.35Å; F92-V128 HydrophobicContact CD2-CG1 4.18Å; F92-V128 HydrophobicContact CD2-CG2 4.23Å; F92-V128 HydrophobicContact CE2-CG1 4.13Å; F92-M147 HydrophobicContact CE2-CE 3.78Å; F92-M147 HydrophobicContact CZ-CE 3.91Å; F92-F150 HydrophobicContact CB-CE1 3.7Å; F92-F150 HydrophobicContact CB-CZ 4.01Å; F92-F150 HydrophobicContact CD1-CD1 4.22Å; F92-F150 AromaticContact CD1-CE1 3.74Å; F92-F150 HydrophobicContact CD1-CE1 3.74Å; F92-F150 AromaticContact CD2-CE1 3.94Å; F92-F150 HydrophobicContact CD2-CE1 3.94Å; F92-F150 HydrophobicContact CE1-CD1 4.38Å; F92-F150 HydrophobicContact CE1-CE1 4.33Å; F92-F150 HydrophobicContact CE2-CE1 4.49Å; F92-F150 HydrophobicContact CG-CD1 4.34Å; F92-F150 AromaticContact CG-CE1 3.53Å; F92-F150 HydrophobicContact CG-CE1 3.53Å; F92-F150 HydrophobicContact CG-CZ 4.32Å; F92-A151 HydrophobicContact CE1-CB 3.72Å; F92-A151 HydrophobicContact CZ-CB 4.01Å
93	K	98.6	Very high	98.6	Very high	127 Å²	127	60.5 Å²	60.5	55%	0.552	34%	0.34	S	S	*	.			trans	-125.2	163.1	-179.3	56.1	-177.6	177.6	-171.8	0	111.4	T95 D96	K93-T95 VanDerWaalsContact CD-OG1 3.31Å; K93-T95 WeakPolarHBondContact CD-OG1 3.25Å; K93-T95 WeakPolarHBondContact CE-OG1 3.45Å; K93-T95 PolarHBondContact O-N 2.88Å; K93-D96 WeakPolarHBondContact CE-OD1 3.28Å; K93-D96 VanDerWaalsContact CG-CG 3.45Å; K93-D96 VanDerWaalsContact CG-OD1 3.25Å; K93-D96 WeakPolarHBondContact CG-OD1 3.23Å; K93-D96 WeakPolarHBondContact CG-OD2 3.22Å; K93-D96 PolarHBondContact N-OD2 3.19Å; K93-D96 WeakPolarHBondContact O-CB 3.23Å; K93-D96 PolarHBondContact O-N 3.33Å
94	E	98.7	Very high	98.5	Very high	65 Å²	65	60.5 Å²	60.5	30%	0.304	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.5	179.4	-83.4	-161.3	-114.4	0	0	115	M87 S129 I132 R133	M87-E94 HydrophobicContact CE-CG 3.43Å; M87-E94 VanDerWaalsContact CE-CG 3.43Å; E94-S129 VanDerWaalsContact O-CB 3.3Å; E94-S129 WeakPolarHBondContact O-CB 3.3Å; E94-S129 PolarHBondContact O-N 3.37Å; E94-S129 PolarHBondContact O-OG 2.85Å; E94-S129 VanDerWaalsContact O-OG 3.07Å; E94-S129 WeakPolarHBondContact OE2-CB 3.38Å; E94-I132 HydrophobicContact CG-CD1 4.05Å; E94-R133 IonicContact OE2-CZ 2.83Å; E94-R133 IonicContact OE2-NH1 3.6Å; E94-R133 PolarHBondContact OE2-NH1 3.25Å; E94-R133 IonicContact OE2-NH2 2.72Å
95	T	98.8	Very high	98.4	Very high	99 Å²	99	64.8 Å²	64.8	61%	0.607	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.7	180	53.1	0	0	0	0	114.2	K93	K93-T95 VanDerWaalsContact CD-OG1 3.31Å; K93-T95 WeakPolarHBondContact CD-OG1 3.25Å; K93-T95 WeakPolarHBondContact CE-OG1 3.45Å; K93-T95 PolarHBondContact O-N 2.88Å
96	D	98.8	Very high	98.2	Very high	47 Å²	47	63.5 Å²	63.5	25%	0.251	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-67.6	142.1	177.1	-65.6	-23.7	0	0	0	110.2	F92 K93 P127 V128 F150	F92-D96 VanDerWaalsContact CA-OD2 3.29Å; F92-D96 WeakPolarHBondContact CA-OD2 3.39Å; F92-D96 VanDerWaalsContact CB-OD2 3.28Å; F92-D96 WeakPolarHBondContact CB-OD2 3.35Å; K93-D96 WeakPolarHBondContact CE-OD1 3.28Å; K93-D96 VanDerWaalsContact CG-CG 3.45Å; K93-D96 VanDerWaalsContact CG-OD1 3.25Å; K93-D96 WeakPolarHBondContact CG-OD1 3.23Å; K93-D96 WeakPolarHBondContact CG-OD2 3.22Å; K93-D96 PolarHBondContact N-OD2 3.19Å; K93-D96 WeakPolarHBondContact O-CB 3.23Å; K93-D96 PolarHBondContact O-N 3.33Å; D96-P127 CarbonylContact O-C 3.53Å; D96-P127 WeakPolarHBondContact O-CA 3.39Å; D96-V128 HydrophobicContact CB-CG2 4.25Å; D96-V128 PolarHBondContact O-N 2.93Å; D96-F150 HydrophobicContact CB-CZ 4.23Å
97	L	98.8	Very high	97.9	Very high	91 Å²	91	67.6 Å²	67.6	48%	0.476	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.4	-179.3	-65.8	178.1	0	0	0	110	Q125 P127	L97-Q125 HydrophobicContact CB-CB 4.29Å; L97-Q125 HydrophobicContact CD1-CB 4.41Å; L97-P127 HydrophobicContact CD2-CB 4.37Å; L97-P127 HydrophobicContact CD2-CG 3.81Å
98	V	98.8	Very high	97.6	Very high	3 Å²	3	67.4 Å²	67.4	2%	0.018	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.8	174.2	-177.7	0	0	0	0	108.8	I100 Q125 V126 V128 L131 M147 F150	V98-I100 HydrophobicContact CG1-CD1 4.4Å; V98-Q125 WeakPolarHBondContact O-CA 3.37Å; V98-V126 PolarHBondContact N-O 3.24Å; V98-V126 PolarHBondContact O-N 3.38Å; V98-V128 HydrophobicContact CG2-CG2 3.68Å; V98-L131 HydrophobicContact CB-CD1 3.6Å; V98-L131 HydrophobicContact CG1-CD1 3.94Å; V98-L131 HydrophobicContact CG2-CD1 3.71Å; V98-M147 HydrophobicContact CG2-SD 4.19Å; V98-F150 HydrophobicContact CB-CD2 4.4Å; V98-F150 HydrophobicContact CB-CG 4.39Å; V98-F150 HydrophobicContact CG1-CB 3.79Å; V98-F150 HydrophobicContact CG1-CD2 4.16Å; V98-F150 HydrophobicContact CG1-CG 4.04Å; V98-F150 HydrophobicContact CG2-CB 4.14Å; V98-F150 HydrophobicContact CG2-CD1 3.67Å; V98-F150 HydrophobicContact CG2-CD2 3.85Å; V98-F150 HydrophobicContact CG2-CE1 3.96Å; V98-F150 HydrophobicContact CG2-CE2 4.14Å; V98-F150 HydrophobicContact CG2-CG 3.6Å; V98-F150 HydrophobicContact CG2-CZ 4.19Å
99	T	98.6	Very high	97.3	Very high	88 Å²	88	62.9 Å²	62.9	54%	0.54	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.7	173.3	-59.6	0	0	0	0	109.2	G101 M124	T99-G101 PolarHBondContact O-N 3.31Å; T99-M124 WeakPolarHBondContact CA-O 3.37Å
100	I	98.6	Very high	97.1	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-74.3	125.5	-176.2	-55.7	-47.3	0	0	0	110.4	V98 A104 L120 K121 P122 G123 M124 V126 L131 A146	V98-I100 HydrophobicContact CG1-CD1 4.4Å; I100-A104 HydrophobicContact CG2-CB 3.86Å; I100-L120 HydrophobicContact CD1-CD1 4Å; I100-L120 HydrophobicContact CG1-CB 4.44Å; I100-L120 HydrophobicContact CG2-CB 3.88Å; I100-K121 WeakPolarHBondContact CB-O 3.4Å; I100-K121 WeakPolarHBondContact CG2-O 3.39Å; I100-P122 CarbonylContact O-C 3.58Å; I100-P122 WeakPolarHBondContact O-CA 3.3Å; I100-G123 PolarHBondContact O-N 3.24Å; I100-M124 HydrophobicContact CB-CB 4.29Å; I100-M124 HydrophobicContact CG1-CB 3.83Å; I100-M124 WeakPolarHBondContact CG1-O 3.33Å; I100-M124 PolarHBondContact N-O 3Å; I100-V126 HydrophobicContact CD1-CB 4.31Å; I100-V126 HydrophobicContact CD1-CG2 4.08Å; I100-V126 HydrophobicContact CG1-CG2 3.92Å; I100-L131 HydrophobicContact CD1-CD1 4.42Å; I100-L131 HydrophobicContact CD1-CD2 4.24Å; I100-A146 HydrophobicContact CD1-CB 3.71Å
101	G	97.7	Very high	96.9	Very high	29 Å²	29	65.6 Å²	65.6	30%	0.299	36%	0.362	S	S	.	.			trans	-81.5	178.2	174.6	0	0	0	0	0	114.1	T99	T99-G101 PolarHBondContact O-N 3.31Å
102	N	97.6	Very high	96.7	Very high	121 Å²	121	57.9 Å²	57.9	65%	0.647	33%	0.328	S	S	*	.	S	Bend	trans	-71.8	-30.7	178.3	-91.4	-1	0	0	0	113.5	W105 P122	N102-W105 WeakPolarHBondContact O-CB 3.41Å; N102-W105 PolarHBondContact O-N 2.98Å; N102-P122 WeakPolarHBondContact OD1-CB 3.28Å; N102-P122 WeakPolarHBondContact OD1-CG 3.35Å
103	D	97.4	Very high	96.5	Very high	54 Å²	54	66.2 Å²	66.2	29%	0.289	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-31.7	178.8	56.2	-15	0	0	0	113.2	W105 N109 F112 V145 Q155	D103-W105 PolarHBondContact O-N 2.72Å; D103-N109 PolarHBondContact O-ND2 3.22Å; D103-F112 WeakPolarHBondContact O-CE2 3.23Å; D103-V145 HydrophobicContact CB-CG1 4.08Å; D103-Q155 PolarHBondContact OD2-NE2 3.34Å
104	A	97.8	Very high	96	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.9	169.7	0	0	0	0	0	113.7	I100 A106 D142 V145 A146	I100-A104 HydrophobicContact CG2-CB 3.86Å; A104-A106 PolarHBondContact O-N 3.37Å; A104-A106 VanDerWaalsContact O-N 3.11Å; A104-D142 WeakPolarHBondContact O-CB 3.29Å; A104-V145 HydrophobicContact CB-CB 4.24Å; A104-V145 HydrophobicContact CB-CG1 4.02Å; A104-A146 HydrophobicContact CB-CB 3.89Å
105	W	97.4	Very high	95.8	Very high	95 Å²	95	62.8 Å²	62.8	36%	0.36	38%	0.378	S	S	.	.			trans	-72.6	108.4	179.4	-175.8	14.6	0	0	0	111.4	N102 D103 T107 G108 N109 P122	N102-W105 WeakPolarHBondContact O-CB 3.41Å; N102-W105 PolarHBondContact O-N 2.98Å; D103-W105 PolarHBondContact O-N 2.72Å; W105-T107 VanDerWaalsContact C-N 3.3Å; W105-T107 VanDerWaalsContact CE2-OG1 3.28Å; W105-T107 WeakPolarHBondContact CZ2-OG1 3.26Å; W105-T107 PolarHBondContact NE1-OG1 3.09Å; W105-T107 PolarHBondContact O-N 3.18Å; W105-T107 VanDerWaalsContact O-N 3.16Å; W105-G108 PolarHBondContact O-N 3.48Å; W105-N109 PolarHBondContact O-N 2.72Å; W105-P122 HydrophobicContact CB-CG 3.84Å; W105-P122 HydrophobicContact CD2-CG 4.13Å; W105-P122 HydrophobicContact CE3-CG 4.32Å; W105-P122 VanDerWaalsContact CG-CD 3.48Å; W105-P122 HydrophobicContact CG-CG 3.92Å
106	A	93.3	Very high	95.5	Very high	6 Å²	6	59.5 Å²	59.5	5%	0.05	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.9	-175.1	0	0	0	0	0	114.8	A104 L117 F119 L120 D142	A104-A106 PolarHBondContact O-N 3.37Å; A104-A106 VanDerWaalsContact O-N 3.11Å; A106-L117 HydrophobicContact CB-CB 4.34Å; A106-L117 HydrophobicContact CB-CD1 4.14Å; A106-L117 HydrophobicContact CB-CD2 4.38Å; A106-F119 HydrophobicContact CB-CD1 4.46Å; A106-L120 PolarHBondContact N-O 2.83Å; A106-L120 VanDerWaalsContact N-O 3.14Å; A106-D142 HydrophobicContact CB-CB 4.39Å
107	T	92.1	Very high	95.4	Very high	102 Å²	102	57.9 Å²	57.9	63%	0.626	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-6.3	179.8	64.8	0	0	0	0	113.3	W105	W105-T107 VanDerWaalsContact C-N 3.3Å; W105-T107 VanDerWaalsContact CE2-OG1 3.28Å; W105-T107 WeakPolarHBondContact CZ2-OG1 3.26Å; W105-T107 PolarHBondContact NE1-OG1 3.09Å; W105-T107 PolarHBondContact O-N 3.18Å; W105-T107 VanDerWaalsContact O-N 3.16Å
108	G	93.4	Very high	95.3	Very high	33 Å²	33	53.9 Å²	53.9	34%	0.34	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-23.8	-179.2	0	0	0	0	0	114.3	W105 P110	W105-G108 PolarHBondContact O-N 3.48Å; G108-P110 WeakPolarHBondContact O-CD 3.48Å
109	N	93.2	Very high	95.2	Very high	42 Å²	42	59.4 Å²	59.4	23%	0.225	35%	0.353	C	S	.	.			trans	-100.3	109.3	180	-171.6	-17.3	0	0	0	110.4	D103 W105 V111 F112	D103-N109 PolarHBondContact O-ND2 3.22Å; W105-N109 PolarHBondContact O-N 2.72Å; N109-V111 PolarHBondContact O-N 2.92Å; N109-V111 VanDerWaalsContact O-N 3.09Å; N109-V111 WeakPolarHBondContact OD1-CB 3.4Å; N109-V111 WeakPolarHBondContact OD1-CG1 3.38Å; N109-V111 PolarHBondContact OD1-N 3.31Å; N109-F112 HydrophobicContact CB-CD2 3.65Å; N109-F112 HydrophobicContact CB-CE2 3.78Å; N109-F112 HydrophobicContact CB-CG 4.44Å; N109-F112 WeakPolarHBondContact O-CB 3.34Å; N109-F112 PolarHBondContact O-N 3.24Å; N109-F112 VanDerWaalsContact O-N 3.08Å
110	P	93.9	Very high	95.2	Very high	112 Å²	112	55.2 Å²	55.2	73%	0.727	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.1	-175.5	-24.8	34.9	0	0	0	114.4	G108 F112 K113	G108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-F112 PolarHBondContact O-N 3.4Å; P110-F112 VanDerWaalsContact O-N 3.17Å; P110-K113 WeakPolarHBondContact O-CB 3.46Å; P110-K113 PolarHBondContact O-N 3.31Å; P110-K113 VanDerWaalsContact O-N 3.15Å
111	V	93.4	Very high	95.2	Very high	79 Å²	79	60.7 Å²	60.7	48%	0.479	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.3	178.5	84.6	0	0	0	0	111.9	N109 K113 L182	N109-V111 PolarHBondContact O-N 2.92Å; N109-V111 VanDerWaalsContact O-N 3.09Å; N109-V111 WeakPolarHBondContact OD1-CB 3.4Å; N109-V111 WeakPolarHBondContact OD1-CG1 3.38Å; N109-V111 PolarHBondContact OD1-N 3.31Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 3.31Å; V111-L182 HydrophobicContact CG1-CD1 4.15Å; V111-L182 HydrophobicContact CG2-CD1 4.03Å; V111-L182 WeakPolarHBondContact O-CD1 3.48Å
112	F	95.3	Very high	95.2	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-83.5	-6	-177.9	-66.5	-28.7	0	0	0	114.4	D103 N109 P110 G114 S115 L117 N141 D142 V145 H180 L182	D103-F112 WeakPolarHBondContact O-CE2 3.23Å; N109-F112 HydrophobicContact CB-CD2 3.65Å; N109-F112 HydrophobicContact CB-CE2 3.78Å; N109-F112 HydrophobicContact CB-CG 4.44Å; N109-F112 WeakPolarHBondContact O-CB 3.34Å; N109-F112 PolarHBondContact O-N 3.24Å; N109-F112 VanDerWaalsContact O-N 3.08Å; P110-F112 PolarHBondContact O-N 3.4Å; P110-F112 VanDerWaalsContact O-N 3.17Å; F112-G114 PolarHBondContact O-N 2.85Å; F112-S115 WeakPolarHBondContact CA-OG 3.32Å; F112-S115 VanDerWaalsContact O-CB 3.28Å; F112-S115 WeakPolarHBondContact O-CB 3.38Å; F112-S115 PolarHBondContact O-N 2.75Å; F112-S115 PolarHBondContact O-OG 3.18Å; F112-L117 HydrophobicContact CB-CD1 4.06Å; F112-L117 HydrophobicContact CB-CD2 3.66Å; F112-L117 HydrophobicContact CB-CG 4.41Å; F112-L117 HydrophobicContact CD1-CD2 4.18Å; F112-L117 HydrophobicContact CD2-CD2 4.04Å; F112-L117 HydrophobicContact CG-CD2 3.7Å; F112-N141 HydrophobicContact CD1-CB 3.67Å; F112-N141 HydrophobicContact CE1-CB 3.64Å; F112-D142 HydrophobicContact CE2-CB 4.14Å; F112-V145 HydrophobicContact CE1-CG2 4.35Å; F112-V145 HydrophobicContact CZ-CB 4.45Å; F112-V145 HydrophobicContact CZ-CG2 3.74Å; F112-H180 AromaticContact CE1-CD2 3.78Å; F112-H180 AromaticContact CE1-NE2 3.91Å; F112-L182 HydrophobicContact CD1-CD1 3.91Å; F112-L182 HydrophobicContact CE1-CD1 4.28Å
113	K	93.4	Very high	95.2	Very high	193 Å²	193	58.6 Å²	58.6	84%	0.839	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	124.5	-175.5	-174.1	179.1	176.8	-177.4	0	111.3	P110 V111 S115	P110-K113 WeakPolarHBondContact O-CB 3.46Å; P110-K113 PolarHBondContact O-N 3.31Å; P110-K113 VanDerWaalsContact O-N 3.15Å; V111-K113 VanDerWaalsContact C-N 3.34Å; V111-K113 PolarHBondContact O-N 3.31Å; K113-S115 PolarHBondContact O-N 2.7Å
114	G	89.6	Confident	95.2	Very high	89 Å²	89	58.6 Å²	58.6	92%	0.918	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	4.3	179.1	0	0	0	0	0	114.9	F112	F112-G114 PolarHBondContact O-N 2.85Å
115	S	93.4	Very high	95.3	Very high	31 Å²	31	64.5 Å²	64.5	22%	0.217	38%	0.375	C	S	.	.	S	Bend	trans	-97.1	175.8	-177.4	82	0	0	0	0	112.8	F112 K113 N141	F112-S115 WeakPolarHBondContact CA-OG 3.32Å; F112-S115 VanDerWaalsContact O-CB 3.28Å; F112-S115 WeakPolarHBondContact O-CB 3.38Å; F112-S115 PolarHBondContact O-N 2.75Å; F112-S115 PolarHBondContact O-OG 3.18Å; K113-S115 PolarHBondContact O-N 2.7Å; S115-N141 WeakPolarHBondContact CB-ND2 3.48Å; S115-N141 PolarHBondContact OG-ND2 2.87Å
116	S	93.7	Very high	95.3	Very high	29 Å²	29	60.2 Å²	60.2	20%	0.203	36%	0.36	C	S	.	.			trans	-79.1	128.4	176.3	-67.6	0	0	0	0	110.8	Q138 S139 G140 N141 R227	S116-Q138 WeakPolarHBondContact CB-O 3.47Å; S116-S139 VanDerWaalsContact CB-O 3.22Å; S116-S139 WeakPolarHBondContact CB-O 3.3Å; S116-G140 WeakPolarHBondContact O-CA 3.1Å; S116-N141 PolarHBondContact O-N 3.28Å; S116-R227 VanDerWaalsContact OG-CZ 3.31Å; S116-R227 PolarHBondContact OG-NE 3.12Å; S116-R227 PolarHBondContact OG-NH2 3.22Å
117	L	96.2	Very high	95.6	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.073	37%	0.367	C	S	.	.			trans	-142.7	143.3	-170.8	-61.3	166.3	0	0	0	111.7	A106 F112 F119 Q138 N141 D142	A106-L117 HydrophobicContact CB-CB 4.34Å; A106-L117 HydrophobicContact CB-CD1 4.14Å; A106-L117 HydrophobicContact CB-CD2 4.38Å; F112-L117 HydrophobicContact CB-CD1 4.06Å; F112-L117 HydrophobicContact CB-CD2 3.66Å; F112-L117 HydrophobicContact CB-CG 4.41Å; F112-L117 HydrophobicContact CD1-CD2 4.18Å; F112-L117 HydrophobicContact CD2-CD2 4.04Å; F112-L117 HydrophobicContact CG-CD2 3.7Å; L117-F119 HydrophobicContact CB-CD2 4.44Å; L117-F119 HydrophobicContact CB-CE2 4.43Å; L117-F119 WeakPolarHBondContact O-CD2 3.3Å; L117-Q138 VanDerWaalsContact C-OE1 3.23Å; L117-Q138 VanDerWaalsContact O-CD 3.26Å; L117-Q138 PolarHBondContact O-NE2 3.16Å; L117-Q138 PolarHBondContact O-OE1 3.49Å; L117-N141 HydrophobicContact CD2-CB 4.15Å; L117-D142 WeakPolarHBondContact CA-OD1 3.5Å; L117-D142 HydrophobicContact CD2-CB 3.99Å
118	M	97	Very high	95.9	Very high	7 Å²	7	56.6 Å²	56.6	3%	0.034	34%	0.338	C	S	.	.			trans	-75.6	-14.9	166.3	-74.2	-172.2	76.6	0	0	112.6	L120 Q130 L131 G134 D142 A143 F217 F219	M118-L120 HydrophobicContact CB-CD2 4.02Å; M118-L120 HydrophobicContact CB-CG 3.97Å; M118-L120 HydrophobicContact CE-CD2 4.47Å; M118-L120 HydrophobicContact SD-CD2 4.38Å; M118-Q130 WeakPolarHBondContact CE-O 3.36Å; M118-L131 HydrophobicContact SD-CD2 4.11Å; M118-G134 VanDerWaalsContact SD-CA 3.55Å; M118-D142 PolarHBondContact N-OD1 2.85Å; M118-D142 PolarHBondContact N-OD2 3.29Å; M118-A143 HydrophobicContact CG-CB 4.04Å; M118-A143 HydrophobicContact SD-CB 3.39Å; M118-A143 WeakPolarHBondContact SD-CB 3.19Å; M118-F217 HydrophobicContact CE-CE2 4.05Å; M118-F217 HydrophobicContact CE-CZ 4.23Å; M118-F219 HydrophobicContact CB-CD1 4.35Å; M118-F219 HydrophobicContact CB-CE1 4.27Å; M118-F219 HydrophobicContact CE-CB 4.13Å; M118-F219 HydrophobicContact CE-CD1 3.9Å; M118-F219 HydrophobicContact CE-CD2 3.41Å; M118-F219 VanDerWaalsContact CE-CD2 3.41Å; M118-F219 HydrophobicContact CE-CE1 4.17Å; M118-F219 HydrophobicContact CE-CE2 3.73Å; M118-F219 HydrophobicContact CE-CG 3.51Å; M118-F219 HydrophobicContact CE-CZ 4.11Å; M118-F219 WeakPolarHBondContact O-CD1 3.31Å; M118-F219 WeakPolarHBondContact O-CE1 3.49Å
119	F	96.9	Very high	96.2	Very high	118 Å²	118	56.3 Å²	56.3	52%	0.518	33%	0.33	S	S	.	.			trans	68.7	42	-173.1	-59.8	-87.3	0	0	0	113.3	A106 L117 D142	A106-F119 HydrophobicContact CB-CD1 4.46Å; L117-F119 HydrophobicContact CB-CD2 4.44Å; L117-F119 HydrophobicContact CB-CE2 4.43Å; L117-F119 WeakPolarHBondContact O-CD2 3.3Å; F119-D142 PolarHBondContact N-OD2 2.84Å
120	L	97.9	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.334	C	S	.	.			trans	-64	147.4	175.2	-57	179.3	0	0	0	111.8	I100 A106 M118 V126 L131 D142 A143 A146 F219	I100-L120 HydrophobicContact CD1-CD1 4Å; I100-L120 HydrophobicContact CG1-CB 4.44Å; I100-L120 HydrophobicContact CG2-CB 3.88Å; A106-L120 PolarHBondContact N-O 2.83Å; A106-L120 VanDerWaalsContact N-O 3.14Å; M118-L120 HydrophobicContact CB-CD2 4.02Å; M118-L120 HydrophobicContact CB-CG 3.97Å; M118-L120 HydrophobicContact CE-CD2 4.47Å; M118-L120 HydrophobicContact SD-CD2 4.38Å; L120-V126 HydrophobicContact CD2-CG2 4.12Å; L120-L131 HydrophobicContact CD1-CD2 3.65Å; L120-L131 HydrophobicContact CD2-CD2 4.08Å; L120-D142 HydrophobicContact CB-CB 4.35Å; L120-D142 HydrophobicContact CD1-CB 4.09Å; L120-D142 HydrophobicContact CG-CB 4.26Å; L120-D142 PolarHBondContact N-OD2 3.35Å; L120-A143 HydrophobicContact CD1-CB 4.34Å; L120-A146 HydrophobicContact CD1-CB 4.11Å; L120-F219 HydrophobicContact CD2-CE1 4.09Å; L120-F219 HydrophobicContact CD2-CE2 4.32Å; L120-F219 HydrophobicContact CD2-CZ 3.58Å
121	K	97.7	Very high	96.6	Very high	119 Å²	119	52.1 Å²	52.1	52%	0.517	30%	0.299	S	S	.	.			trans	-128.4	146.9	176.5	-60.6	-174.3	-178.4	-172.9	0	110.9	I100 M124	I100-K121 WeakPolarHBondContact CB-O 3.4Å; I100-K121 WeakPolarHBondContact CG2-O 3.39Å; K121-M124 HydrophobicContact CB-CE 3.98Å; K121-M124 HydrophobicContact CB-CG 4.26Å; K121-M124 HydrophobicContact CB-SD 4.02Å; K121-M124 HydrophobicContact CD-CE 4.16Å; K121-M124 HydrophobicContact CG-CE 4.04Å; K121-M124 HydrophobicContact CG-SD 4.49Å; K121-M124 PolarHBondContact N-SD 3.05Å; K121-M124 VanDerWaalsContact N-SD 3.43Å; K121-M124 WeakPolarHBondContact O-CB 3.29Å; K121-M124 WeakPolarHBondContact O-CG 3.28Å; K121-M124 PolarHBondContact O-N 2.84Å
122	P	98.2	Very high	96.9	Very high	49 Å²	49	48.3 Å²	48.3	32%	0.318	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.3	178.5	-26.9	35.9	0	0	0	112.4	I100 N102 W105 M124	I100-P122 CarbonylContact O-C 3.58Å; I100-P122 WeakPolarHBondContact O-CA 3.3Å; N102-P122 WeakPolarHBondContact OD1-CB 3.28Å; N102-P122 WeakPolarHBondContact OD1-CG 3.35Å; W105-P122 HydrophobicContact CB-CG 3.84Å; W105-P122 HydrophobicContact CD2-CG 4.13Å; W105-P122 HydrophobicContact CE3-CG 4.32Å; W105-P122 VanDerWaalsContact CG-CD 3.48Å; W105-P122 HydrophobicContact CG-CG 3.92Å; P122-M124 PolarHBondContact O-N 2.72Å
123	G	97.9	Very high	97.1	Very high	57 Å²	57	50.5 Å²	50.5	59%	0.588	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-8.4	179.7	0	0	0	0	0	115.3	I100	I100-G123 PolarHBondContact O-N 3.24Å
124	M	98.3	Very high	97.3	Very high	54 Å²	54	41.3 Å²	41.3	27%	0.266	25%	0.245	S	C	.	.			trans	-58.5	141.8	166.4	-73.9	-179.1	166	0	0	110	T99 I100 K121 P122 V126	T99-M124 WeakPolarHBondContact CA-O 3.37Å; I100-M124 HydrophobicContact CB-CB 4.29Å; I100-M124 HydrophobicContact CG1-CB 3.83Å; I100-M124 WeakPolarHBondContact CG1-O 3.33Å; I100-M124 PolarHBondContact N-O 3Å; K121-M124 HydrophobicContact CB-CE 3.98Å; K121-M124 HydrophobicContact CB-CG 4.26Å; K121-M124 HydrophobicContact CB-SD 4.02Å; K121-M124 HydrophobicContact CD-CE 4.16Å; K121-M124 HydrophobicContact CG-CE 4.04Å; K121-M124 HydrophobicContact CG-SD 4.49Å; K121-M124 PolarHBondContact N-SD 3.05Å; K121-M124 VanDerWaalsContact N-SD 3.43Å; K121-M124 WeakPolarHBondContact O-CB 3.29Å; K121-M124 WeakPolarHBondContact O-CG 3.28Å; K121-M124 PolarHBondContact O-N 2.84Å; P122-M124 PolarHBondContact O-N 2.72Å; M124-V126 HydrophobicContact CB-CG2 4.02Å
125	Q	98.5	Very high	97.7	Very high	125 Å²	125	37.1 Å²	37.1	58%	0.584	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.9	167.6	-69.8	-168.6	15.2	0	0	108.4	L97 V98	L97-Q125 HydrophobicContact CB-CB 4.29Å; L97-Q125 HydrophobicContact CD1-CB 4.41Å; V98-Q125 WeakPolarHBondContact O-CA 3.37Å
126	V	98.7	Very high	98	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.2	-174.5	-173.9	0	0	0	0	109	V98 I100 L120 M124 Q130 L131 F219	V98-V126 PolarHBondContact N-O 3.24Å; V98-V126 PolarHBondContact O-N 3.38Å; I100-V126 HydrophobicContact CD1-CB 4.31Å; I100-V126 HydrophobicContact CD1-CG2 4.08Å; I100-V126 HydrophobicContact CG1-CG2 3.92Å; L120-V126 HydrophobicContact CD2-CG2 4.12Å; M124-V126 HydrophobicContact CB-CG2 4.02Å; V126-Q130 HydrophobicContact CG1-CB 3.81Å; V126-L131 HydrophobicContact CB-CD1 4.41Å; V126-L131 HydrophobicContact CB-CD2 4.14Å; V126-L131 HydrophobicContact CB-CG 4.13Å; V126-L131 HydrophobicContact CG1-CD2 3.85Å; V126-L131 HydrophobicContact CG1-CG 3.77Å; V126-F219 HydrophobicContact CG1-CE2 3.84Å; V126-F219 HydrophobicContact CG2-CE2 4.24Å; V126-F219 HydrophobicContact CG2-CZ 4.41Å
127	P	98.6	Very high	98.2	Very high	32 Å²	32	34.3 Å²	34.3	21%	0.208	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141.3	173.9	-22.9	32.5	0	0	0	111.5	D96 L97 S129 Q130 L131	D96-P127 CarbonylContact O-C 3.53Å; D96-P127 WeakPolarHBondContact O-CA 3.39Å; L97-P127 HydrophobicContact CD2-CB 4.37Å; L97-P127 HydrophobicContact CD2-CG 3.81Å; P127-S129 WeakPolarHBondContact CB-OG 3.48Å; P127-S129 PolarHBondContact O-N 3.28Å; P127-S129 VanDerWaalsContact O-N 3.14Å; P127-Q130 PolarHBondContact O-N 2.97Å; P127-L131 PolarHBondContact O-N 3.39Å
128	V	98.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-49	-42.7	173.8	169.9	0	0	0	0	111	M87 F92 D96 V98 Q130 L131 I132 M147 F150	M87-V128 HydrophobicContact SD-CG1 4.28Å; F92-V128 HydrophobicContact CD2-CG1 4.18Å; F92-V128 HydrophobicContact CD2-CG2 4.23Å; F92-V128 HydrophobicContact CE2-CG1 4.13Å; D96-V128 HydrophobicContact CB-CG2 4.25Å; D96-V128 PolarHBondContact O-N 2.93Å; V98-V128 HydrophobicContact CG2-CG2 3.68Å; V128-Q130 PolarHBondContact O-N 3.21Å; V128-L131 PolarHBondContact O-N 3.4Å; V128-L131 VanDerWaalsContact O-N 3.09Å; V128-I132 HydrophobicContact CG1-CG2 3.99Å; V128-I132 WeakPolarHBondContact O-CG1 3.47Å; V128-I132 WeakPolarHBondContact O-CG2 3.46Å; V128-I132 PolarHBondContact O-N 3.34Å; V128-M147 HydrophobicContact CG1-CE 3.92Å; V128-M147 HydrophobicContact CG1-SD 4.19Å; V128-M147 HydrophobicContact CG2-CE 4.38Å; V128-M147 HydrophobicContact CG2-SD 4.24Å; V128-F150 HydrophobicContact CG2-CD1 4.27Å; V128-F150 HydrophobicContact CG2-CE1 3.75Å; V128-F150 HydrophobicContact CG2-CZ 4.43Å
129	S	98.6	Very high	98.1	Very high	27 Å²	27	33.8 Å²	33.8	19%	0.189	18%	0.179	C	C	.	.	H	α-helix	trans	-53	-35.1	176.9	50.6	0	0	0	0	114.8	E94 P127 I132 R133	E94-S129 VanDerWaalsContact O-CB 3.3Å; E94-S129 WeakPolarHBondContact O-CB 3.3Å; E94-S129 PolarHBondContact O-N 3.37Å; E94-S129 PolarHBondContact O-OG 2.85Å; E94-S129 VanDerWaalsContact O-OG 3.07Å; E94-S129 WeakPolarHBondContact OE2-CB 3.38Å; P127-S129 WeakPolarHBondContact CB-OG 3.48Å; P127-S129 PolarHBondContact O-N 3.28Å; P127-S129 VanDerWaalsContact O-N 3.14Å; S129-I132 WeakPolarHBondContact O-CG1 3.39Å; S129-R133 WeakPolarHBondContact O-CB 3.27Å; S129-R133 VanDerWaalsContact O-CD 3.31Å; S129-R133 WeakPolarHBondContact O-CD 3.22Å; S129-R133 VanDerWaalsContact O-CG 3.3Å; S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 3.32Å; S129-R133 PolarHBondContact O-NH1 2.92Å
130	Q	98.6	Very high	98.2	Very high	65 Å²	65	28.2 Å²	28.2	30%	0.304	15%	0.154	S	C	.	.	H	α-helix	trans	-81.5	-37.6	178.1	-68.8	-170	-1.7	0	0	111.6	M118 V126 P127 V128 R133 G134 F219	M118-Q130 WeakPolarHBondContact CE-O 3.36Å; V126-Q130 HydrophobicContact CG1-CB 3.81Å; P127-Q130 PolarHBondContact O-N 2.97Å; V128-Q130 PolarHBondContact O-N 3.21Å; Q130-R133 PolarHBondContact O-N 3.26Å; Q130-G134 PolarHBondContact O-N 3.38Å; Q130-F219 HydrophobicContact CB-CD2 4.34Å
131	L	98.8	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-49.2	177.7	-67.7	174.4	0	0	0	111.4	V98 I100 M118 L120 V126 P127 V128 R133 G134 I135 A143 A146 M147	V98-L131 HydrophobicContact CB-CD1 3.6Å; V98-L131 HydrophobicContact CG1-CD1 3.94Å; V98-L131 HydrophobicContact CG2-CD1 3.71Å; I100-L131 HydrophobicContact CD1-CD1 4.42Å; I100-L131 HydrophobicContact CD1-CD2 4.24Å; M118-L131 HydrophobicContact SD-CD2 4.11Å; L120-L131 HydrophobicContact CD1-CD2 3.65Å; L120-L131 HydrophobicContact CD2-CD2 4.08Å; V126-L131 HydrophobicContact CB-CD1 4.41Å; V126-L131 HydrophobicContact CB-CD2 4.14Å; V126-L131 HydrophobicContact CB-CG 4.13Å; V126-L131 HydrophobicContact CG1-CD2 3.85Å; V126-L131 HydrophobicContact CG1-CG 3.77Å; P127-L131 PolarHBondContact O-N 3.39Å; V128-L131 PolarHBondContact O-N 3.4Å; V128-L131 VanDerWaalsContact O-N 3.09Å; L131-R133 VanDerWaalsContact C-N 3.28Å; L131-R133 PolarHBondContact O-N 3.02Å; L131-G134 WeakPolarHBondContact O-CA 3.29Å; L131-G134 PolarHBondContact O-N 3.15Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å; L131-I135 PolarHBondContact O-N 2.97Å; L131-A143 HydrophobicContact CD2-CB 4.16Å; L131-A146 HydrophobicContact CD1-CB 4.33Å; L131-A146 HydrophobicContact CD2-CB 4.4Å; L131-M147 HydrophobicContact CB-CG 3.73Å; L131-M147 HydrophobicContact CB-SD 3.89Å; L131-M147 HydrophobicContact CD1-CG 4.06Å; L131-M147 HydrophobicContact CD1-SD 3.68Å; L131-M147 HydrophobicContact CG-SD 4.44Å
132	I	98.8	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-35.1	179.1	66.9	-174.4	0	0	0	111.9	I83 M87 E94 V128 S129 I135 N136 M147 I211	I83-I132 HydrophobicContact CG2-CG2 3.69Å; M87-I132 HydrophobicContact CE-CD1 4.45Å; M87-I132 HydrophobicContact SD-CD1 4.34Å; E94-I132 HydrophobicContact CG-CD1 4.05Å; V128-I132 HydrophobicContact CG1-CG2 3.99Å; V128-I132 WeakPolarHBondContact O-CG1 3.47Å; V128-I132 WeakPolarHBondContact O-CG2 3.46Å; V128-I132 PolarHBondContact O-N 3.34Å; S129-I132 WeakPolarHBondContact O-CG1 3.39Å; I132-I135 PolarHBondContact O-N 3.35Å; I132-N136 VanDerWaalsContact O-CB 3.31Å; I132-N136 WeakPolarHBondContact O-CB 3.5Å; I132-N136 PolarHBondContact O-N 2.76Å; I132-N136 PolarHBondContact O-ND2 3.31Å; I132-M147 HydrophobicContact CG2-CE 4.39Å; I132-I211 HydrophobicContact CD1-CD1 3.3Å; I132-I211 HydrophobicContact CG1-CD1 3.74Å
133	R	98.7	Very high	98.2	Very high	47 Å²	47	20.3 Å²	20.3	18%	0.177	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-39	171.8	-78	170.7	177.4	78.8	4.5	112.2	E94 S129 Q130 L131 I135 N136 L137 I211 E214 F217	E94-R133 IonicContact OE2-CZ 2.83Å; E94-R133 IonicContact OE2-NH1 3.6Å; E94-R133 PolarHBondContact OE2-NH1 3.25Å; E94-R133 IonicContact OE2-NH2 2.72Å; S129-R133 WeakPolarHBondContact O-CB 3.27Å; S129-R133 VanDerWaalsContact O-CD 3.31Å; S129-R133 WeakPolarHBondContact O-CD 3.22Å; S129-R133 VanDerWaalsContact O-CG 3.3Å; S129-R133 WeakPolarHBondContact O-CG 3.41Å; S129-R133 PolarHBondContact O-N 3.32Å; S129-R133 PolarHBondContact O-NH1 2.92Å; Q130-R133 PolarHBondContact O-N 3.26Å; L131-R133 VanDerWaalsContact C-N 3.28Å; L131-R133 PolarHBondContact O-N 3.02Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-I135 PolarHBondContact O-N 2.72Å; R133-N136 PolarHBondContact O-N 3.39Å; R133-L137 HydrophobicContact CB-CD1 4.44Å; R133-L137 HydrophobicContact CG-CD1 4.44Å; R133-L137 VanDerWaalsContact O-CB 3.32Å; R133-L137 WeakPolarHBondContact O-CB 3.48Å; R133-L137 PolarHBondContact O-N 3.28Å; R133-I211 HydrophobicContact CG-CG2 3.64Å; R133-E214 WeakPolarHBondContact CD-OE2 3.49Å; R133-E214 IonicContact CZ-OE1 3.74Å; R133-E214 IonicContact CZ-OE2 2.84Å; R133-E214 IonicContact NE-OE1 3.97Å; R133-E214 PolarHBondContact NE-OE1 3.21Å; R133-E214 IonicContact NE-OE2 3.8Å; R133-E214 PolarHBondContact NE-OE2 3.42Å; R133-E214 IonicContact NH2-OE1 2.8Å; R133-E214 PolarHBondContact NH2-OE1 3.03Å; R133-E214 IonicContact NH2-OE2 3.98Å; R133-F217 HydrophobicContact CB-CB 4.34Å; R133-F217 HydrophobicContact CB-CD1 4.34Å; R133-F217 HydrophobicContact CB-CD2 3.63Å; R133-F217 HydrophobicContact CB-CE2 3.94Å; R133-F217 HydrophobicContact CB-CG 3.85Å; R133-F217 HydrophobicContact CB-CZ 4.45Å
134	G	98.5	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-61.2	-40.6	172.2	0	0	0	0	0	113.5	M118 Q130 L131 Q138 S139 G140	M118-G134 VanDerWaalsContact SD-CA 3.55Å; Q130-G134 PolarHBondContact O-N 3.38Å; L131-G134 WeakPolarHBondContact O-CA 3.29Å; L131-G134 PolarHBondContact O-N 3.15Å; G134-Q138 CarbonylContact O-C 3.59Å; G134-Q138 WeakPolarHBondContact O-CB 3.43Å; G134-Q138 PolarHBondContact O-N 2.96Å; G134-S139 PolarHBondContact O-N 2.78Å; G134-G140 PolarHBondContact O-N 3.02Å
135	I	98.7	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-63.8	-51.8	173.8	-62.7	172.1	0	0	0	110.3	K76 I83 L131 I132 R133 S139 A143 M147 K242	K76-I135 HydrophobicContact CB-CG2 4Å; K76-I135 HydrophobicContact CD-CG2 4.16Å; K76-I135 HydrophobicContact CG-CG2 4.42Å; I83-I135 HydrophobicContact CD1-CD1 3.72Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å; L131-I135 PolarHBondContact O-N 2.97Å; I132-I135 PolarHBondContact O-N 3.35Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-I135 PolarHBondContact O-N 2.72Å; I135-S139 VanDerWaalsContact O-CA 3.25Å; I135-S139 WeakPolarHBondContact O-CA 3.31Å; I135-S139 PolarHBondContact O-N 2.89Å; I135-A143 HydrophobicContact CD1-CB 4.46Å; I135-A143 HydrophobicContact CG1-CB 3.72Å; I135-M147 HydrophobicContact CD1-CB 4.14Å; I135-M147 HydrophobicContact CD1-CG 3.97Å; I135-K242 WeakPolarHBondContact O-CE 3.36Å
136	N	98.5	Very high	98.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.048	C	C	.	.	I	π-helix	trans	-75.2	-49.5	-169.3	-67	-10.2	0	0	0	112.7	S80 I132 R133 E208 I211 Y212	S80-N136 PolarHBondContact OG-OD1 2.84Å; I132-N136 VanDerWaalsContact O-CB 3.31Å; I132-N136 WeakPolarHBondContact O-CB 3.5Å; I132-N136 PolarHBondContact O-N 2.76Å; I132-N136 PolarHBondContact O-ND2 3.31Å; R133-N136 PolarHBondContact O-N 3.39Å; N136-E208 PolarHBondContact ND2-OE1 3.48Å; N136-I211 HydrophobicContact CB-CG2 4.17Å; N136-Y212 HydrophobicContact CB-CD1 3.88Å; N136-Y212 HydrophobicContact CB-CE1 3.69Å; N136-Y212 PolarHBondContact OD1-OH 2.95Å
137	L	98.1	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-85	-49.3	-174.4	-74.5	59.7	0	0	0	111.2	R133 I211 E214 F217 N226 R227	R133-L137 HydrophobicContact CB-CD1 4.44Å; R133-L137 HydrophobicContact CG-CD1 4.44Å; R133-L137 VanDerWaalsContact O-CB 3.32Å; R133-L137 WeakPolarHBondContact O-CB 3.48Å; R133-L137 PolarHBondContact O-N 3.28Å; L137-I211 HydrophobicContact CD1-CG2 3.81Å; L137-E214 HydrophobicContact CD1-CB 4.29Å; L137-E214 HydrophobicContact CD2-CB 3.93Å; L137-E214 HydrophobicContact CG-CB 4.43Å; L137-F217 HydrophobicContact CB-CD1 4.1Å; L137-F217 HydrophobicContact CB-CE1 4.27Å; L137-F217 HydrophobicContact CD2-CB 3.9Å; L137-F217 HydrophobicContact CD2-CD1 3.59Å; L137-F217 HydrophobicContact CD2-CG 4.08Å; L137-F217 HydrophobicContact CG-CD1 4.47Å; L137-N226 HydrophobicContact CB-CB 4.22Å; L137-N226 HydrophobicContact CG-CB 4.12Å; L137-N226 WeakPolarHBondContact O-CA 3.1Å; L137-R227 PolarHBondContact O-N 2.9Å; L137-R227 VanDerWaalsContact O-N 3.1Å
138	Q	96	Very high	98.3	Very high	9 Å²	9	7.5 Å²	7.5	4%	0.042	4%	0.037	C	C	.	.	I	π-helix	trans	-98.3	-8.7	-170.7	-153.5	-137.9	-3.2	0	0	113.5	S116 L117 G134 G140 F217 Q224 R227	S116-Q138 WeakPolarHBondContact CB-O 3.47Å; L117-Q138 VanDerWaalsContact C-OE1 3.23Å; L117-Q138 VanDerWaalsContact O-CD 3.26Å; L117-Q138 PolarHBondContact O-NE2 3.16Å; L117-Q138 PolarHBondContact O-OE1 3.49Å; G134-Q138 CarbonylContact O-C 3.59Å; G134-Q138 WeakPolarHBondContact O-CB 3.43Å; G134-Q138 PolarHBondContact O-N 2.96Å; Q138-G140 VanDerWaalsContact C-N 3.28Å; Q138-G140 PolarHBondContact O-N 2.7Å; Q138-F217 HydrophobicContact CB-CE1 4.14Å; Q138-Q224 HydrophobicContact CG-CB 4.28Å; Q138-Q224 HydrophobicContact CG-CG 4.42Å; Q138-R227 PolarHBondContact O-NE 3.41Å; Q138-R227 PolarHBondContact O-NH2 3.26Å
139	S	96.2	Very high	98.3	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.014	5%	0.046	C	C	.	.			trans	62.7	32.6	-177.2	-144.3	0	0	0	0	113.4	S73 K76 S116 G134 I135 N141 K242	S73-S139 WeakPolarHBondContact CB-OG 3.13Å; S73-S139 PolarHBondContact OG-OG 3.21Å; K76-S139 WeakPolarHBondContact CE-O 3.26Å; K76-S139 PolarHBondContact NZ-O 3.05Å; S116-S139 VanDerWaalsContact CB-O 3.22Å; S116-S139 WeakPolarHBondContact CB-O 3.3Å; G134-S139 PolarHBondContact O-N 2.78Å; I135-S139 VanDerWaalsContact O-CA 3.25Å; I135-S139 WeakPolarHBondContact O-CA 3.31Å; I135-S139 PolarHBondContact O-N 2.89Å; S139-N141 PolarHBondContact O-N 3.43Å; S139-K242 VanDerWaalsContact CB-NZ 3.31Å; S139-K242 PolarHBondContact OG-NZ 3.01Å
140	G	97.6	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.053	C	C	.	.			trans	-61.5	116.2	-178	0	0	0	0	0	112.6	S116 G134 Q138 C144	S116-G140 WeakPolarHBondContact O-CA 3.1Å; G134-G140 PolarHBondContact O-N 3.02Å; Q138-G140 VanDerWaalsContact C-N 3.28Å; Q138-G140 PolarHBondContact O-N 2.7Å; G140-C144 PolarHBondContact O-N 2.81Å; G140-C144 PolarHBondContact O-SG 2.95Å
141	N	98.1	Very high	98.4	Very high	3 Å²	3	10 Å²	10	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-72.7	-39.4	179	-68.1	-32.2	0	0	0	112.3	K76 F112 S115 S116 L117 S139 A143 C144 V145 H180	K76-N141 WeakPolarHBondContact CE-OD1 3.35Å; K76-N141 PolarHBondContact NZ-OD1 3.25Å; F112-N141 HydrophobicContact CD1-CB 3.67Å; F112-N141 HydrophobicContact CE1-CB 3.64Å; S115-N141 WeakPolarHBondContact CB-ND2 3.48Å; S115-N141 PolarHBondContact OG-ND2 2.87Å; S116-N141 PolarHBondContact O-N 3.28Å; L117-N141 HydrophobicContact CD2-CB 4.15Å; S139-N141 PolarHBondContact O-N 3.43Å; N141-A143 VanDerWaalsContact C-N 3.3Å; N141-A143 PolarHBondContact O-N 3.27Å; N141-C144 WeakPolarHBondContact O-CB 3.11Å; N141-C144 PolarHBondContact O-N 3.48Å; N141-V145 PolarHBondContact O-N 2.86Å; N141-H180 HydrophobicContact CB-CB 4.17Å; N141-H180 WeakPolarHBondContact OD1-CB 3.45Å
142	D	98.5	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.1	-41.9	173.7	51	-12.8	0	0	0	111.9	A104 A106 F112 L117 M118 F119 L120 C144 V145 A146	A104-D142 WeakPolarHBondContact O-CB 3.29Å; A106-D142 HydrophobicContact CB-CB 4.39Å; F112-D142 HydrophobicContact CE2-CB 4.14Å; L117-D142 WeakPolarHBondContact CA-OD1 3.5Å; L117-D142 HydrophobicContact CD2-CB 3.99Å; M118-D142 PolarHBondContact N-OD1 2.85Å; M118-D142 PolarHBondContact N-OD2 3.29Å; F119-D142 PolarHBondContact N-OD2 2.84Å; L120-D142 HydrophobicContact CB-CB 4.35Å; L120-D142 HydrophobicContact CD1-CB 4.09Å; L120-D142 HydrophobicContact CG-CB 4.26Å; L120-D142 PolarHBondContact N-OD2 3.35Å; D142-C144 VanDerWaalsContact C-N 3.33Å; D142-C144 PolarHBondContact O-N 2.99Å; D142-V145 PolarHBondContact O-N 3.42Å; D142-A146 PolarHBondContact O-N 2.82Å
143	A	98.7	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.4	-34.4	176.2	0	0	0	0	0	113.4	M118 L120 L131 I135 N141 M147	M118-A143 HydrophobicContact CG-CB 4.04Å; M118-A143 HydrophobicContact SD-CB 3.39Å; M118-A143 WeakPolarHBondContact SD-CB 3.19Å; L120-A143 HydrophobicContact CD1-CB 4.34Å; L131-A143 HydrophobicContact CD2-CB 4.16Å; I135-A143 HydrophobicContact CD1-CB 4.46Å; I135-A143 HydrophobicContact CG1-CB 3.72Å; N141-A143 VanDerWaalsContact C-N 3.3Å; N141-A143 PolarHBondContact O-N 3.27Å; A143-M147 WeakPolarHBondContact O-CB 3.48Å; A143-M147 PolarHBondContact O-N 3.38Å
144	C	98.8	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-43.3	174.7	-61.5	0	0	0	0	111	K76 T79 G140 N141 D142 A148 V179 H180	K76-C144 WeakPolarHBondContact CE-SG 3.23Å; T79-C144 HydrophobicContact CG2-CB 4.27Å; G140-C144 PolarHBondContact O-N 2.81Å; G140-C144 PolarHBondContact O-SG 2.95Å; N141-C144 WeakPolarHBondContact O-CB 3.11Å; N141-C144 PolarHBondContact O-N 3.48Å; D142-C144 VanDerWaalsContact C-N 3.33Å; D142-C144 PolarHBondContact O-N 2.99Å; C144-A148 VanDerWaalsContact O-CB 3.25Å; C144-A148 WeakPolarHBondContact O-CB 3.16Å; C144-A148 PolarHBondContact O-N 3.04Å; C144-V179 HydrophobicContact CB-CB 4.37Å; C144-V179 HydrophobicContact CB-CG2 3.85Å; C144-V179 WeakPolarHBondContact CB-O 3.42Å; C144-H180 HydrophobicContact CB-CB 3.94Å
145	V	98.7	Very high	98.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-51.7	177.1	172.9	0	0	0	0	110.6	D103 A104 F112 N141 D142 M147 A148 D149 Q155 V179	D103-V145 HydrophobicContact CB-CG1 4.08Å; A104-V145 HydrophobicContact CB-CB 4.24Å; A104-V145 HydrophobicContact CB-CG1 4.02Å; F112-V145 HydrophobicContact CE1-CG2 4.35Å; F112-V145 HydrophobicContact CZ-CB 4.45Å; F112-V145 HydrophobicContact CZ-CG2 3.74Å; N141-V145 PolarHBondContact O-N 2.86Å; D142-V145 PolarHBondContact O-N 3.42Å; V145-M147 VanDerWaalsContact C-N 3.31Å; V145-M147 PolarHBondContact O-N 2.86Å; V145-A148 WeakPolarHBondContact O-CB 3.44Å; V145-A148 PolarHBondContact O-N 2.81Å; V145-D149 PolarHBondContact O-N 2.84Å; V145-Q155 HydrophobicContact CG1-CG 4.1Å; V145-Q155 HydrophobicContact CG2-CG 4.46Å; V145-V179 HydrophobicContact CG2-CG2 3.9Å
146	A	98.8	Very high	98.3	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-56.1	-43.5	179	0	0	0	0	0	113	I100 A104 L120 L131 D142 F150	I100-A146 HydrophobicContact CD1-CB 3.71Å; A104-A146 HydrophobicContact CB-CB 3.89Å; L120-A146 HydrophobicContact CD1-CB 4.11Å; L131-A146 HydrophobicContact CD1-CB 4.33Å; L131-A146 HydrophobicContact CD2-CB 4.4Å; D142-A146 PolarHBondContact O-N 2.82Å; A146-F150 WeakPolarHBondContact O-CB 3.43Å; A146-F150 PolarHBondContact O-N 2.9Å; A146-F150 VanDerWaalsContact O-N 3.11Å
147	M	98.9	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71	-31.5	176.7	-77.4	-58	-54.9	0	0	113	I83 F92 V98 V128 L131 I132 I135 A143 V145 F150 A151	I83-M147 HydrophobicContact CD1-CB 3.66Å; I83-M147 HydrophobicContact CD1-CE 4.19Å; I83-M147 HydrophobicContact CD1-CG 4.03Å; I83-M147 HydrophobicContact CG1-CB 4.33Å; I83-M147 HydrophobicContact CG1-CE 4.08Å; I83-M147 HydrophobicContact CG2-CE 3.86Å; F92-M147 HydrophobicContact CE2-CE 3.78Å; F92-M147 HydrophobicContact CZ-CE 3.91Å; V98-M147 HydrophobicContact CG2-SD 4.19Å; V128-M147 HydrophobicContact CG1-CE 3.92Å; V128-M147 HydrophobicContact CG1-SD 4.19Å; V128-M147 HydrophobicContact CG2-CE 4.38Å; V128-M147 HydrophobicContact CG2-SD 4.24Å; L131-M147 HydrophobicContact CB-CG 3.73Å; L131-M147 HydrophobicContact CB-SD 3.89Å; L131-M147 HydrophobicContact CD1-CG 4.06Å; L131-M147 HydrophobicContact CD1-SD 3.68Å; L131-M147 HydrophobicContact CG-SD 4.44Å; I132-M147 HydrophobicContact CG2-CE 4.39Å; I135-M147 HydrophobicContact CD1-CB 4.14Å; I135-M147 HydrophobicContact CD1-CG 3.97Å; A143-M147 WeakPolarHBondContact O-CB 3.48Å; A143-M147 PolarHBondContact O-N 3.38Å; V145-M147 VanDerWaalsContact C-N 3.31Å; V145-M147 PolarHBondContact O-N 2.86Å; M147-F150 HydrophobicContact CE-CD1 4.17Å; M147-F150 HydrophobicContact SD-CD1 4.47Å; M147-A151 WeakPolarHBondContact O-CB 3.5Å; M147-A151 PolarHBondContact O-N 2.99Å
148	A	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-46.3	177.1	0	0	0	0	0	111.7	C144 V145 A151 A152 Q155 F158 V179	C144-A148 VanDerWaalsContact O-CB 3.25Å; C144-A148 WeakPolarHBondContact O-CB 3.16Å; C144-A148 PolarHBondContact O-N 3.04Å; V145-A148 WeakPolarHBondContact O-CB 3.44Å; V145-A148 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 2.79Å; A148-A152 PolarHBondContact O-N 3.44Å; A148-Q155 HydrophobicContact CB-CG 4.37Å; A148-F158 VanDerWaalsContact CA-CD2 3.45Å; A148-F158 HydrophobicContact CB-CB 3.67Å; A148-F158 HydrophobicContact CB-CD1 4.1Å; A148-F158 HydrophobicContact CB-CD2 3.84Å; A148-F158 HydrophobicContact CB-CE2 4.47Å; A148-F158 HydrophobicContact CB-CG 3.59Å; A148-V179 HydrophobicContact CB-CB 4.21Å; A148-V179 HydrophobicContact CB-CG1 3.71Å; A148-V179 HydrophobicContact CB-CG2 4.4Å
149	D	98.7	Very high	98.5	Very high	38 Å²	38	25.9 Å²	25.9	20%	0.203	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.4	-55.9	-37.2	0	0	0	111.3	V145 G153 S154 Q155	V145-D149 PolarHBondContact O-N 2.84Å; D149-G153 WeakPolarHBondContact O-CA 3.38Å; D149-G153 PolarHBondContact O-N 3.42Å; D149-S154 WeakPolarHBondContact OD1-CA 3.43Å; D149-Q155 PolarHBondContact OD1-N 3.43Å
150	F	98.9	Very high	98.6	Very high	76 Å²	76	27.7 Å²	27.7	33%	0.333	19%	0.186	S	C	.	.	H	α-helix	trans	-64.3	-44	176.9	-178.5	-111.8	0	0	0	112.9	F92 D96 V98 V128 A146 M147	F92-F150 HydrophobicContact CB-CE1 3.7Å; F92-F150 HydrophobicContact CB-CZ 4.01Å; F92-F150 HydrophobicContact CD1-CD1 4.22Å; F92-F150 AromaticContact CD1-CE1 3.74Å; F92-F150 HydrophobicContact CD1-CE1 3.74Å; F92-F150 AromaticContact CD2-CE1 3.94Å; F92-F150 HydrophobicContact CD2-CE1 3.94Å; F92-F150 HydrophobicContact CE1-CD1 4.38Å; F92-F150 HydrophobicContact CE1-CE1 4.33Å; F92-F150 HydrophobicContact CE2-CE1 4.49Å; F92-F150 HydrophobicContact CG-CD1 4.34Å; F92-F150 AromaticContact CG-CE1 3.53Å; F92-F150 HydrophobicContact CG-CE1 3.53Å; F92-F150 HydrophobicContact CG-CZ 4.32Å; D96-F150 HydrophobicContact CB-CZ 4.23Å; V98-F150 HydrophobicContact CB-CD2 4.4Å; V98-F150 HydrophobicContact CB-CG 4.39Å; V98-F150 HydrophobicContact CG1-CB 3.79Å; V98-F150 HydrophobicContact CG1-CD2 4.16Å; V98-F150 HydrophobicContact CG1-CG 4.04Å; V98-F150 HydrophobicContact CG2-CB 4.14Å; V98-F150 HydrophobicContact CG2-CD1 3.67Å; V98-F150 HydrophobicContact CG2-CD2 3.85Å; V98-F150 HydrophobicContact CG2-CE1 3.96Å; V98-F150 HydrophobicContact CG2-CE2 4.14Å; V98-F150 HydrophobicContact CG2-CG 3.6Å; V98-F150 HydrophobicContact CG2-CZ 4.19Å; V128-F150 HydrophobicContact CG2-CD1 4.27Å; V128-F150 HydrophobicContact CG2-CE1 3.75Å; V128-F150 HydrophobicContact CG2-CZ 4.43Å; A146-F150 WeakPolarHBondContact O-CB 3.43Å; A146-F150 PolarHBondContact O-N 2.9Å; A146-F150 VanDerWaalsContact O-N 3.11Å; M147-F150 HydrophobicContact CE-CD1 4.17Å; M147-F150 HydrophobicContact SD-CD1 4.47Å
151	A	98.7	Very high	98.7	Very high	31 Å²	31	31 Å²	31	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-82.8	-29.3	-173.7	0	0	0	0	0	113.7	F92 M147 A148 F158	F92-A151 HydrophobicContact CE1-CB 3.72Å; F92-A151 HydrophobicContact CZ-CB 4.01Å; M147-A151 WeakPolarHBondContact O-CB 3.5Å; M147-A151 PolarHBondContact O-N 2.99Å; A148-A151 PolarHBondContact O-N 2.79Å; A151-F158 HydrophobicContact CB-CD2 4.24Å; A151-F158 HydrophobicContact CB-CE2 4.05Å
152	A	98.6	Very high	98.7	Very high	29 Å²	29	30.9 Å²	30.9	24%	0.24	20%	0.203	C	C	.	.	H	α-helix	trans	-131.9	0.4	-172.1	0	0	0	0	0	114.4	A148 S154 A157 F158 L161	A148-A152 PolarHBondContact O-N 3.44Å; A152-S154 PolarHBondContact O-N 2.94Å; A152-A157 HydrophobicContact CB-CB 4.11Å; A152-A157 WeakPolarHBondContact O-CB 3.32Å; A152-F158 HydrophobicContact CB-CB 3.85Å; A152-F158 HydrophobicContact CB-CD2 3.97Å; A152-F158 HydrophobicContact CB-CG 4.39Å; A152-L161 HydrophobicContact CB-CD1 3.94Å
153	G	98.4	Very high	98.7	Very high	64 Å²	64	32.6 Å²	32.6	66%	0.66	21%	0.212	S	C	*	.	S	Bend	trans	81	-19.3	179.5	0	0	0	0	0	115	D149	D149-G153 WeakPolarHBondContact O-CA 3.38Å; D149-G153 PolarHBondContact O-N 3.42Å
154	S	98.5	Very high	98.7	Very high	47 Å²	47	35.4 Å²	35.4	33%	0.329	23%	0.232	S	C	.	.	S	Bend	trans	-161.7	158	173.4	61.7	0	0	0	0	111.3	D149 A152 D156 A157 F158	D149-S154 WeakPolarHBondContact OD1-CA 3.43Å; A152-S154 PolarHBondContact O-N 2.94Å; S154-D156 VanDerWaalsContact C-N 3.34Å; S154-D156 PolarHBondContact O-N 3.24Å; S154-A157 PolarHBondContact O-N 2.95Å; S154-A157 VanDerWaalsContact OG-CB 3.31Å; S154-A157 WeakPolarHBondContact OG-CB 3.12Å; S154-A157 PolarHBondContact OG-N 3.06Å; S154-F158 PolarHBondContact O-N 3.08Å
155	Q	98.6	Very high	98.7	Very high	56 Å²	56	38.2 Å²	38.2	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-56.3	-42.8	172.4	-65	174.9	66.7	0	0	112.9	D103 V145 A148 D149 F158 V159 V179	D103-Q155 PolarHBondContact OD2-NE2 3.34Å; V145-Q155 HydrophobicContact CG1-CG 4.1Å; V145-Q155 HydrophobicContact CG2-CG 4.46Å; A148-Q155 HydrophobicContact CB-CG 4.37Å; D149-Q155 PolarHBondContact OD1-N 3.43Å; Q155-F158 WeakPolarHBondContact O-CB 3.41Å; Q155-F158 PolarHBondContact O-N 2.7Å; Q155-V159 WeakPolarHBondContact O-CG2 3.39Å; Q155-V159 PolarHBondContact O-N 2.81Å; Q155-V179 HydrophobicContact CB-CG1 4.22Å; Q155-V179 HydrophobicContact CG-CG1 4.45Å
156	D	98.5	Very high	98.8	Very high	136 Å²	136	38.8 Å²	38.8	73%	0.727	25%	0.246	S	C	*	.	H	α-helix	trans	-64.4	-44.3	-179.8	-73.1	-11.9	0	0	0	112	S154 F158 V159 G160	S154-D156 VanDerWaalsContact C-N 3.34Å; S154-D156 PolarHBondContact O-N 3.24Å; D156-F158 VanDerWaalsContact C-N 3.28Å; D156-F158 PolarHBondContact O-N 2.92Å; D156-V159 PolarHBondContact O-N 3.08Å; D156-G160 PolarHBondContact O-N 3.09Å
157	A	98.7	Very high	98.7	Very high	43 Å²	43	45.1 Å²	45.1	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-39.8	175.1	0	0	0	0	0	111.1	A152 S154 G160 L161	A152-A157 HydrophobicContact CB-CB 4.11Å; A152-A157 WeakPolarHBondContact O-CB 3.32Å; S154-A157 PolarHBondContact O-N 2.95Å; S154-A157 VanDerWaalsContact OG-CB 3.31Å; S154-A157 WeakPolarHBondContact OG-CB 3.12Å; S154-A157 PolarHBondContact OG-N 3.06Å; A157-G160 WeakPolarHBondContact O-CA 3.16Å; A157-G160 PolarHBondContact O-N 3.18Å; A157-L161 PolarHBondContact O-N 2.97Å
158	F	98.9	Very high	98.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-43.3	176.3	-165.3	-82.8	0	0	0	112.3	T79 V82 I83 A148 A151 A152 S154 Q155 D156 G160 L161 M162 V179	T79-F158 HydrophobicContact CG2-CE1 3.73Å; T79-F158 HydrophobicContact CG2-CZ 3.84Å; V82-F158 HydrophobicContact CB-CE1 4.14Å; V82-F158 HydrophobicContact CB-CE2 4.12Å; V82-F158 HydrophobicContact CB-CZ 3.62Å; V82-F158 HydrophobicContact CG1-CD2 4.16Å; V82-F158 HydrophobicContact CG1-CE1 4.22Å; V82-F158 HydrophobicContact CG1-CE2 3.54Å; V82-F158 HydrophobicContact CG1-CZ 3.58Å; V82-F158 HydrophobicContact CG2-CE1 4.45Å; V82-F158 HydrophobicContact CG2-CZ 4.41Å; I83-F158 HydrophobicContact CG1-CE2 4.22Å; I83-F158 HydrophobicContact CG1-CZ 4.07Å; A148-F158 VanDerWaalsContact CA-CD2 3.45Å; A148-F158 HydrophobicContact CB-CB 3.67Å; A148-F158 HydrophobicContact CB-CD1 4.1Å; A148-F158 HydrophobicContact CB-CD2 3.84Å; A148-F158 HydrophobicContact CB-CE2 4.47Å; A148-F158 HydrophobicContact CB-CG 3.59Å; A151-F158 HydrophobicContact CB-CD2 4.24Å; A151-F158 HydrophobicContact CB-CE2 4.05Å; A152-F158 HydrophobicContact CB-CB 3.85Å; A152-F158 HydrophobicContact CB-CD2 3.97Å; A152-F158 HydrophobicContact CB-CG 4.39Å; S154-F158 PolarHBondContact O-N 3.08Å; Q155-F158 WeakPolarHBondContact O-CB 3.41Å; Q155-F158 PolarHBondContact O-N 2.7Å; D156-F158 VanDerWaalsContact C-N 3.28Å; D156-F158 PolarHBondContact O-N 2.92Å; F158-G160 VanDerWaalsContact C-N 3.25Å; F158-G160 PolarHBondContact O-N 3.15Å; F158-L161 WeakPolarHBondContact O-CA 3.45Å; F158-L161 WeakPolarHBondContact O-CB 3.31Å; F158-L161 PolarHBondContact O-N 3.38Å; F158-M162 HydrophobicContact CD1-CG 3.83Å; F158-M162 HydrophobicContact CD1-SD 3.7Å; F158-M162 HydrophobicContact CE1-CG 3.76Å; F158-M162 HydrophobicContact CE1-SD 3.79Å; F158-M162 WeakPolarHBondContact O-CG 3.38Å; F158-M162 PolarHBondContact O-N 2.88Å; F158-V179 HydrophobicContact CB-CG1 4.21Å; F158-V179 HydrophobicContact CD1-CB 4.35Å; F158-V179 HydrophobicContact CD1-CG1 3.75Å; F158-V179 HydrophobicContact CG-CG1 4.29Å
159	V	98.9	Very high	98.7	Very high	16 Å²	16	50.8 Å²	50.8	10%	0.097	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-36.3	173.5	170.1	0	0	0	0	110.9	Q155 D156 L161 M162 N163 F176 V179	Q155-V159 WeakPolarHBondContact O-CG2 3.39Å; Q155-V159 PolarHBondContact O-N 2.81Å; D156-V159 PolarHBondContact O-N 3.08Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 2.78Å; V159-M162 HydrophobicContact CG2-SD 4.25Å; V159-M162 WeakPolarHBondContact O-CB 3.26Å; V159-M162 PolarHBondContact O-N 3.16Å; V159-N163 PolarHBondContact O-N 2.83Å; V159-N163 PolarHBondContact O-ND2 3.31Å; V159-F176 VanDerWaalsContact CG1-O 3.22Å; V159-F176 WeakPolarHBondContact CG1-O 3.28Å; V159-V179 HydrophobicContact CG2-CG1 3.86Å
160	G	98.8	Very high	98.7	Very high	40 Å²	40	50.8 Å²	50.8	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-55.8	-46.5	169.1	0	0	0	0	0	112.4	D156 A157 F158 N163 S164	D156-G160 PolarHBondContact O-N 3.09Å; A157-G160 WeakPolarHBondContact O-CA 3.16Å; A157-G160 PolarHBondContact O-N 3.18Å; F158-G160 VanDerWaalsContact C-N 3.25Å; F158-G160 PolarHBondContact O-N 3.15Å; G160-N163 PolarHBondContact O-N 3.18Å; G160-S164 PolarHBondContact O-N 3.1Å
161	L	98.8	Very high	98.7	Very high	69 Å²	69	47.8 Å²	47.8	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-44.8	174.5	-66.7	173.3	0	0	0	112.2	V82 A152 A157 F158 V159 N163 S164 Y165	V82-L161 HydrophobicContact CG1-CB 4.08Å; V82-L161 HydrophobicContact CG1-CD1 4.1Å; V82-L161 HydrophobicContact CG2-CB 4.43Å; A152-L161 HydrophobicContact CB-CD1 3.94Å; A157-L161 PolarHBondContact O-N 2.97Å; F158-L161 WeakPolarHBondContact O-CA 3.45Å; F158-L161 WeakPolarHBondContact O-CB 3.31Å; F158-L161 PolarHBondContact O-N 3.38Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 2.78Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.9Å; L161-S164 WeakPolarHBondContact O-CB 3.3Å; L161-S164 PolarHBondContact O-N 3.14Å; L161-S164 VanDerWaalsContact O-N 3.11Å; L161-S164 PolarHBondContact O-OG 2.88Å; L161-Y165 VanDerWaalsContact O-CD2 3.3Å; L161-Y165 WeakPolarHBondContact O-CD2 3.34Å; L161-Y165 PolarHBondContact O-N 3.39Å; L161-Y165 VanDerWaalsContact O-N 3.07Å
162	M	98.9	Very high	98.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-54.7	-48.8	176.2	-65.3	170	71.8	0	0	111	T75 M78 V82 F158 V159 S164 Y165 V166 F176	T75-M162 HydrophobicContact CG2-CE 3.67Å; M78-M162 HydrophobicContact CB-CE 3.95Å; M78-M162 HydrophobicContact CG-CB 3.67Å; M78-M162 HydrophobicContact CG-CE 4.05Å; M78-M162 HydrophobicContact CG-CG 3.86Å; V82-M162 HydrophobicContact CG2-CG 3.96Å; F158-M162 HydrophobicContact CD1-CG 3.83Å; F158-M162 HydrophobicContact CD1-SD 3.7Å; F158-M162 HydrophobicContact CE1-CG 3.76Å; F158-M162 HydrophobicContact CE1-SD 3.79Å; F158-M162 WeakPolarHBondContact O-CG 3.38Å; F158-M162 PolarHBondContact O-N 2.88Å; V159-M162 HydrophobicContact CG2-SD 4.25Å; V159-M162 WeakPolarHBondContact O-CB 3.26Å; V159-M162 PolarHBondContact O-N 3.16Å; M162-S164 VanDerWaalsContact C-N 3.34Å; M162-S164 PolarHBondContact O-N 3.1Å; M162-Y165 PolarHBondContact O-N 3.16Å; M162-V166 WeakPolarHBondContact O-CG2 3.42Å; M162-V166 PolarHBondContact O-N 3.2Å; M162-F176 HydrophobicContact CB-CB 4.4Å; M162-F176 HydrophobicContact CB-CD2 3.94Å; M162-F176 HydrophobicContact CB-CG 4.47Å; M162-F176 HydrophobicContact CE-CB 3.84Å; M162-F176 HydrophobicContact CE-CD1 3.96Å; M162-F176 HydrophobicContact CE-CD2 3.93Å; M162-F176 HydrophobicContact CE-CE2 4.47Å; M162-F176 HydrophobicContact CE-CG 3.63Å
163	N	98.9	Very high	98.7	Very high	36 Å²	36	54.4 Å²	54.4	19%	0.193	34%	0.336	C	S	.	.	H	α-helix	trans	-70.5	-27.1	178.5	-73.2	-47.6	0	0	0	113.2	V159 G160 L161 Y165 V166 N167 H175 F176	V159-N163 PolarHBondContact O-N 2.83Å; V159-N163 PolarHBondContact O-ND2 3.31Å; G160-N163 PolarHBondContact O-N 3.18Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.9Å; N163-Y165 VanDerWaalsContact C-N 3.32Å; N163-V166 WeakPolarHBondContact O-CB 3.45Å; N163-V166 PolarHBondContact O-N 2.83Å; N163-N167 PolarHBondContact O-N 3.43Å; N163-H175 PolarHBondContact OD1-ND1 3.19Å; N163-F176 PolarHBondContact ND2-O 3.47Å; N163-F176 PolarHBondContact OD1-N 2.8Å
164	S	98.8	Very high	98.8	Very high	59 Å²	59	51.8 Å²	51.8	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-39.1	170.9	82.2	0	0	0	0	111.7	G160 L161 M162 N167 A168	G160-S164 PolarHBondContact O-N 3.1Å; L161-S164 WeakPolarHBondContact O-CB 3.3Å; L161-S164 PolarHBondContact O-N 3.14Å; L161-S164 VanDerWaalsContact O-N 3.11Å; L161-S164 PolarHBondContact O-OG 2.88Å; M162-S164 VanDerWaalsContact C-N 3.34Å; M162-S164 PolarHBondContact O-N 3.1Å; S164-N167 PolarHBondContact O-N 2.96Å; S164-A168 PolarHBondContact O-N 3.4Å
165	Y	98.9	Very high	98.8	Very high	60 Å²	60	52.8 Å²	52.8	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-75.5	-29.1	175.6	-75.2	-64.8	0	0	0	113.2	Y81 V82 Q85 L161 M162 N163 N167 A168 L169	Y81-Y165 HydrophobicContact CD1-CD1 4.33Å; Y81-Y165 HydrophobicContact CD1-CD2 4.24Å; Y81-Y165 HydrophobicContact CD1-CG 4.06Å; Y81-Y165 AromaticContact CE1-CD1 3.55Å; Y81-Y165 HydrophobicContact CE1-CD1 3.55Å; Y81-Y165 HydrophobicContact CE1-CD2 4.25Å; Y81-Y165 AromaticContact CE1-CE1 3.89Å; Y81-Y165 HydrophobicContact CE1-CE1 3.89Å; Y81-Y165 AromaticContact CE1-CG 3.73Å; Y81-Y165 HydrophobicContact CE1-CG 3.73Å; V82-Y165 HydrophobicContact CG2-CD2 3.76Å; V82-Y165 HydrophobicContact CG2-CE2 4.07Å; Q85-Y165 HydrophobicContact CB-CE2 4.5Å; Q85-Y165 WeakPolarHBondContact CB-OH 3.42Å; Q85-Y165 HydrophobicContact CG-CE1 4.2Å; Q85-Y165 HydrophobicContact CG-CE2 4.41Å; L161-Y165 VanDerWaalsContact O-CD2 3.3Å; L161-Y165 WeakPolarHBondContact O-CD2 3.34Å; L161-Y165 PolarHBondContact O-N 3.39Å; L161-Y165 VanDerWaalsContact O-N 3.07Å; M162-Y165 PolarHBondContact O-N 3.16Å; N163-Y165 VanDerWaalsContact C-N 3.32Å; Y165-N167 VanDerWaalsContact C-N 3.25Å; Y165-N167 PolarHBondContact O-N 3.21Å; Y165-A168 HydrophobicContact CD1-CB 4.43Å; Y165-A168 PolarHBondContact O-N 3.42Å; Y165-L169 VanDerWaalsContact O-CB 3.23Å; Y165-L169 WeakPolarHBondContact O-CB 3.41Å; Y165-L169 VanDerWaalsContact O-CG 3.23Å; Y165-L169 WeakPolarHBondContact O-CG 3.45Å; Y165-L169 PolarHBondContact O-N 3.24Å
166	V	98.9	Very high	98.8	Very high	12 Å²	12	50.1 Å²	50.1	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-52.7	-48.8	166.6	166.9	0	0	0	0	109.9	M78 M162 N163 G170 L171 T174 F176	M78-V166 HydrophobicContact CE-CG2 4.2Å; M162-V166 WeakPolarHBondContact O-CG2 3.42Å; M162-V166 PolarHBondContact O-N 3.2Å; N163-V166 WeakPolarHBondContact O-CB 3.45Å; N163-V166 PolarHBondContact O-N 2.83Å; V166-G170 PolarHBondContact O-N 3.12Å; V166-L171 HydrophobicContact CB-CD1 4.5Å; V166-L171 HydrophobicContact CG1-CB 3.93Å; V166-L171 HydrophobicContact CG2-CD1 4.29Å; V166-L171 PolarHBondContact O-N 3.19Å; V166-T174 VanDerWaalsContact CG1-O 3.3Å; V166-T174 WeakPolarHBondContact CG1-O 3.47Å; V166-T174 HydrophobicContact CG2-CG2 3.76Å; V166-F176 HydrophobicContact CG2-CD2 3.77Å; V166-F176 HydrophobicContact CG2-CE2 3.59Å
167	N	98.6	Very high	98.8	Very high	135 Å²	135	47.3 Å²	47.3	72%	0.722	28%	0.277	S	S	*	.	H	α-helix	trans	-67.2	-46.5	177.5	-174	66.6	0	0	0	112.4	N163 S164 Y165 L169 G170	N163-N167 PolarHBondContact O-N 3.43Å; S164-N167 PolarHBondContact O-N 2.96Å; Y165-N167 VanDerWaalsContact C-N 3.25Å; Y165-N167 PolarHBondContact O-N 3.21Å; N167-L169 VanDerWaalsContact C-N 3.27Å; N167-L169 PolarHBondContact O-N 3.16Å; N167-G170 PolarHBondContact O-N 3.4Å
168	A	98.7	Very high	98.8	Very high	77 Å²	77	46.3 Å²	46.3	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-63.4	-31.4	-178.9	0	0	0	0	0	113.4	S164 Y165 G170	S164-A168 PolarHBondContact O-N 3.4Å; Y165-A168 HydrophobicContact CD1-CB 4.43Å; Y165-A168 PolarHBondContact O-N 3.42Å; A168-G170 VanDerWaalsContact C-N 3.34Å
169	L	98.7	Very high	98.8	Very high	42 Å²	42	46.4 Å²	46.4	22%	0.22	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.4	175.9	-65.4	174.4	0	0	0	113	M78 Y81 Y165 N167 L171 A200	M78-L169 HydrophobicContact CE-CD1 4.17Å; Y81-L169 HydrophobicContact CE1-CD1 4.35Å; Y165-L169 VanDerWaalsContact O-CB 3.23Å; Y165-L169 WeakPolarHBondContact O-CB 3.41Å; Y165-L169 VanDerWaalsContact O-CG 3.23Å; Y165-L169 WeakPolarHBondContact O-CG 3.45Å; Y165-L169 PolarHBondContact O-N 3.24Å; N167-L169 VanDerWaalsContact C-N 3.27Å; N167-L169 PolarHBondContact O-N 3.16Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 HydrophobicContact CB-CD1 4.39Å; L169-L171 HydrophobicContact CB-CD2 4.03Å; L169-L171 HydrophobicContact CB-CG 3.88Å; L169-A200 HydrophobicContact CD1-CB 3.87Å; L169-A200 HydrophobicContact CD2-CB 3.71Å; L169-A200 HydrophobicContact CG-CB 4.47Å
170	G	98.7	Very high	98.7	Very high	39 Å²	39	46.1 Å²	46.1	40%	0.402	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	27.5	178.6	0	0	0	0	0	114.5	V166 N167 A168 K172	V166-G170 PolarHBondContact O-N 3.12Å; N167-G170 PolarHBondContact O-N 3.4Å; A168-G170 VanDerWaalsContact C-N 3.34Å; G170-K172 PolarHBondContact O-N 3.26Å
171	L	98.8	Very high	98.6	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	25%	0.245	C	C	.	.			trans	-75.2	119.8	179.7	-50	-175.4	0	0	0	109.4	M78 V166 L169 D193 L196 I197	M78-L171 HydrophobicContact CE-CD1 4.14Å; V166-L171 HydrophobicContact CB-CD1 4.5Å; V166-L171 HydrophobicContact CG1-CB 3.93Å; V166-L171 HydrophobicContact CG2-CD1 4.29Å; V166-L171 PolarHBondContact O-N 3.19Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 HydrophobicContact CB-CD1 4.39Å; L169-L171 HydrophobicContact CB-CD2 4.03Å; L169-L171 HydrophobicContact CB-CG 3.88Å; L171-D193 HydrophobicContact CB-CB 4.15Å; L171-D193 HydrophobicContact CD1-CB 4.47Å; L171-D193 HydrophobicContact CD2-CB 4.13Å; L171-D193 HydrophobicContact CG-CB 4.47Å; L171-L196 HydrophobicContact CD2-CB 3.63Å; L171-L196 HydrophobicContact CD2-CD1 3.87Å; L171-L196 HydrophobicContact CD2-CG 4.42Å; L171-I197 HydrophobicContact CD1-CD1 3.72Å; L171-I197 HydrophobicContact CD1-CG1 3.46Å; L171-I197 VanDerWaalsContact CD1-CG1 3.46Å
172	K	98.8	Very high	98.3	Very high	170 Å²	170	42.5 Å²	42.5	74%	0.739	24%	0.236	S	C	*	.	S	Bend	trans	-95.4	-17.8	-168.2	-58.2	-170.9	-176.8	69	0	113.6	G170 D193	G170-K172 PolarHBondContact O-N 3.26Å; K172-D193 PolarHBondContact N-OD2 2.86Å; K172-D193 VanDerWaalsContact N-OD2 3.09Å
173	N	98.8	Very high	97.5	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	26%	0.259	C	S	.	.	S	Bend	trans	-131.9	34.1	-171	-70.5	-56.7	0	0	0	111.3	D66 R68 Y188 S189 S190 D193	D66-N173 PolarHBondContact O-ND2 3.38Å; R68-N173 HydrophobicContact CG-CB 4.06Å; R68-N173 PolarHBondContact NE-OD1 3.2Å; N173-Y188 WeakPolarHBondContact O-CD2 3.38Å; N173-S189 CarbonylContact O-C 3.48Å; N173-S189 WeakPolarHBondContact O-CA 3.5Å; N173-S190 PolarHBondContact O-N 3.2Å; N173-D193 VanDerWaalsContact C-OD2 3.25Å; N173-D193 VanDerWaalsContact CA-OD2 3.29Å; N173-D193 WeakPolarHBondContact CA-OD2 3.47Å; N173-D193 PolarHBondContact N-OD2 3.28Å
174	T	98.9	Very high	97.2	Very high	9 Å²	9	46 Å²	46	6%	0.055	26%	0.258	C	S	.	.			trans	-128.2	137.5	175.5	-59	0	0	0	0	111.4	V166 F176 Y188 S189 D193	V166-T174 VanDerWaalsContact CG1-O 3.3Å; V166-T174 WeakPolarHBondContact CG1-O 3.47Å; V166-T174 HydrophobicContact CG2-CG2 3.76Å; T174-F176 HydrophobicContact CG2-CD2 4.09Å; T174-F176 HydrophobicContact CG2-CE1 4.02Å; T174-F176 HydrophobicContact CG2-CE2 3.42Å; T174-F176 VanDerWaalsContact CG2-CE2 3.42Å; T174-F176 HydrophobicContact CG2-CZ 3.38Å; T174-Y188 CarbonylContact C-O 3.58Å; T174-Y188 VanDerWaalsContact CA-O 3.3Å; T174-Y188 WeakPolarHBondContact CA-O 3.33Å; T174-S189 PolarHBondContact OG1-OG 3.47Å; T174-D193 PolarHBondContact N-OD2 3.5Å; T174-D193 WeakPolarHBondContact OG1-CB 3.43Å; T174-D193 PolarHBondContact OG1-OD2 3.28Å
175	H	98.9	Very high	96.9	Very high	67 Å²	67	49.9 Å²	49.9	31%	0.31	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-149.8	133.4	167.6	-178.7	58.8	0	0	0	108.9	N163 G186 Q187 Y188	N163-H175 PolarHBondContact OD1-ND1 3.19Å; H175-G186 PolarHBondContact CD2-O 3.49Å; H175-Q187 WeakPolarHBondContact O-CA 3.44Å; H175-Y188 HydrophobicContact CB-CD2 4.5Å; H175-Y188 HydrophobicContact CB-CE1 4.04Å; H175-Y188 HydrophobicContact CB-CE2 3.95Å; H175-Y188 PolarHBondContact N-O 3.49Å; H175-Y188 PolarHBondContact O-N 3.45Å; H175-Y188 VanDerWaalsContact O-O 3.12Å
176	F	98.9	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.281	C	S	.	.			trans	-107.5	141.4	178.7	-60.6	-66.4	0	0	0	111.1	T75 M78 V159 M162 N163 V166 T174 M194 I197	T75-F176 HydrophobicContact CG2-CD1 3.6Å; T75-F176 HydrophobicContact CG2-CE1 3.88Å; T75-F176 HydrophobicContact CG2-CG 4.49Å; M78-F176 HydrophobicContact CB-CD2 4.26Å; M78-F176 HydrophobicContact CB-CE1 4.46Å; M78-F176 HydrophobicContact CB-CE2 3.54Å; M78-F176 HydrophobicContact CB-CZ 3.65Å; M78-F176 HydrophobicContact CE-CE2 3.98Å; M78-F176 HydrophobicContact CG-CD2 3.97Å; M78-F176 HydrophobicContact CG-CE2 3.5Å; M78-F176 HydrophobicContact CG-CZ 4.17Å; V159-F176 VanDerWaalsContact CG1-O 3.22Å; V159-F176 WeakPolarHBondContact CG1-O 3.28Å; M162-F176 HydrophobicContact CB-CB 4.4Å; M162-F176 HydrophobicContact CB-CD2 3.94Å; M162-F176 HydrophobicContact CB-CG 4.47Å; M162-F176 HydrophobicContact CE-CB 3.84Å; M162-F176 HydrophobicContact CE-CD1 3.96Å; M162-F176 HydrophobicContact CE-CD2 3.93Å; M162-F176 HydrophobicContact CE-CE2 4.47Å; M162-F176 HydrophobicContact CE-CG 3.63Å; N163-F176 PolarHBondContact ND2-O 3.47Å; N163-F176 PolarHBondContact OD1-N 2.8Å; V166-F176 HydrophobicContact CG2-CD2 3.77Å; V166-F176 HydrophobicContact CG2-CE2 3.59Å; T174-F176 HydrophobicContact CG2-CD2 4.09Å; T174-F176 HydrophobicContact CG2-CE1 4.02Å; T174-F176 HydrophobicContact CG2-CE2 3.42Å; T174-F176 VanDerWaalsContact CG2-CE2 3.42Å; T174-F176 HydrophobicContact CG2-CZ 3.38Å; F176-M194 HydrophobicContact CE1-CE 4.1Å; F176-M194 HydrophobicContact CZ-CE 4.01Å; F176-I197 HydrophobicContact CZ-CD1 4.07Å
177	Q	98.6	Very high	96.8	Very high	78 Å²	78	48.8 Å²	48.8	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	-120.1	-14.3	171.3	-69.7	-173.1	-28.2	0	0	112.5	A184 D185 Q187	Q177-A184 HydrophobicContact CB-CB 3.94Å; Q177-D185 PolarHBondContact NE2-O 3.42Å; Q177-D185 VanDerWaalsContact OE1-C 3.24Å; Q177-D185 PolarHBondContact OE1-O 3.12Å; Q177-Q187 HydrophobicContact CB-CB 4.26Å; Q177-Q187 HydrophobicContact CG-CB 4.4Å
178	T	98.4	Very high	96.8	Very high	22 Å²	22	45.2 Å²	45.2	14%	0.135	26%	0.257	C	S	.	.			trans	-133.7	155.5	-178.5	72.7	0	0	0	0	110.7	T75 H180 G181 A184 Q187	T75-T178 WeakPolarHBondContact CG2-O 3.16Å; T178-H180 VanDerWaalsContact CB-CE1 3.5Å; T178-H180 WeakPolarHBondContact CB-CE1 3.08Å; T178-H180 WeakPolarHBondContact CB-ND1 3.29Å; T178-H180 PolarHBondContact O-N 3.24Å; T178-H180 PolarHBondContact OG1-ND1 3.49Å; T178-G181 WeakPolarHBondContact OG1-CA 3.43Å; T178-G181 PolarHBondContact OG1-N 3.31Å; T178-A184 HydrophobicContact CG2-CB 3.58Å; T178-Q187 PolarHBondContact OG1-NE2 3.42Å; T178-Q187 PolarHBondContact OG1-OE1 3.32Å
179	V	98.7	Very high	96.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.227	C	C	.	.	S	Bend	trans	-78.7	-6.6	177.8	-56.9	0	0	0	0	113.4	T79 C144 V145 A148 Q155 F158 V159	T79-V179 WeakPolarHBondContact CG2-O 3.48Å; T79-V179 PolarHBondContact OG1-O 2.83Å; C144-V179 HydrophobicContact CB-CB 4.37Å; C144-V179 HydrophobicContact CB-CG2 3.85Å; C144-V179 WeakPolarHBondContact CB-O 3.42Å; V145-V179 HydrophobicContact CG2-CG2 3.9Å; A148-V179 HydrophobicContact CB-CB 4.21Å; A148-V179 HydrophobicContact CB-CG1 3.71Å; A148-V179 HydrophobicContact CB-CG2 4.4Å; Q155-V179 HydrophobicContact CB-CG1 4.22Å; Q155-V179 HydrophobicContact CG-CG1 4.45Å; F158-V179 HydrophobicContact CB-CG1 4.21Å; F158-V179 HydrophobicContact CD1-CB 4.35Å; F158-V179 HydrophobicContact CD1-CG1 3.75Å; F158-V179 HydrophobicContact CG-CG1 4.29Å; V159-V179 HydrophobicContact CG2-CG1 3.86Å
180	H	97.8	Very high	96.8	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.046	22%	0.216	C	C	.	.	S	Bend	trans	-131.2	-19.7	-168.8	48.3	32.2	0	0	0	114.8	K76 F112 N141 C144 T178 L182	K76-H180 WeakPolarHBondContact CG-O 3.41Å; K76-H180 PolarHBondContact NZ-O 2.83Å; F112-H180 AromaticContact CE1-CD2 3.78Å; F112-H180 AromaticContact CE1-NE2 3.91Å; N141-H180 HydrophobicContact CB-CB 4.17Å; N141-H180 WeakPolarHBondContact OD1-CB 3.45Å; C144-H180 HydrophobicContact CB-CB 3.94Å; T178-H180 VanDerWaalsContact CB-CE1 3.5Å; T178-H180 WeakPolarHBondContact CB-CE1 3.08Å; T178-H180 WeakPolarHBondContact CB-ND1 3.29Å; T178-H180 PolarHBondContact O-N 3.24Å; T178-H180 PolarHBondContact OG1-ND1 3.49Å; H180-L182 PolarHBondContact ND1-N 3.48Å
181	G	96.1	Very high	96.8	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	20%	0.197	C	C	.	.			trans	86.3	12.5	-179.1	0	0	0	0	0	116.3	A72 T75 T178	A72-G181 CarbonylContact C-O 3.54Å; A72-G181 WeakPolarHBondContact CA-O 3.34Å; A72-G181 WeakPolarHBondContact O-CA 3.25Å; T75-G181 VanDerWaalsContact CB-CA 3.49Å; T75-G181 WeakPolarHBondContact OG1-CA 3.46Å; T178-G181 WeakPolarHBondContact OG1-CA 3.43Å; T178-G181 PolarHBondContact OG1-N 3.31Å
182	L	91.9	Very high	96.8	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.168	20%	0.204	C	C	.	.			trans	-58.6	150.9	161.7	-64.9	175.6	0	0	0	109.6	V111 F112 H180 A184 Q187	V111-L182 HydrophobicContact CG1-CD1 4.15Å; V111-L182 HydrophobicContact CG2-CD1 4.03Å; V111-L182 WeakPolarHBondContact O-CD1 3.48Å; F112-L182 HydrophobicContact CD1-CD1 3.91Å; F112-L182 HydrophobicContact CE1-CD1 4.28Å; H180-L182 PolarHBondContact ND1-N 3.48Å; L182-A184 PolarHBondContact O-N 3.45Å; L182-Q187 PolarHBondContact O-NE2 3.45Å
183	D	83.7	Confident	96.8	Very high	88 Å²	88	31.8 Å²	31.8	47%	0.471	17%	0.17	S	C	.	.			trans	-51.1	121.4	-173.8	-74.8	21.7	0	0	0	111.1
184	A	91.6	Very high	96.8	Very high	22 Å²	22	30.3 Å²	30.3	18%	0.182	16%	0.162	C	C	.	.			trans	-143.9	125.6	178	0	0	0	0	0	109	Q177 T178 L182 G186 Q187	Q177-A184 HydrophobicContact CB-CB 3.94Å; T178-A184 HydrophobicContact CG2-CB 3.58Å; L182-A184 PolarHBondContact O-N 3.45Å; A184-G186 PolarHBondContact O-N 3.36Å; A184-Q187 HydrophobicContact CB-CB 4.15Å; A184-Q187 WeakPolarHBondContact O-CB 3.43Å; A184-Q187 PolarHBondContact O-N 3.32Å
185	D	92.3	Very high	96.8	Very high	139 Å²	139	29.9 Å²	29.9	74%	0.743	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	112.8	-175.5	-76.7	-21.6	0	0	0	111.4	Q177 K248	Q177-D185 PolarHBondContact NE2-O 3.42Å; Q177-D185 VanDerWaalsContact OE1-C 3.24Å; Q177-D185 PolarHBondContact OE1-O 3.12Å; D185-K248 IonicContact OD1-NZ 3.03Å
186	G	97.1	Very high	96.8	Very high	37 Å²	37	29.3 Å²	29.3	38%	0.381	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	-10.2	-174.2	0	0	0	0	0	113.1	H175 A184 Y188	H175-G186 PolarHBondContact CD2-O 3.49Å; A184-G186 PolarHBondContact O-N 3.36Å; G186-Y188 WeakPolarHBondContact O-CD1 3.34Å; G186-Y188 VanDerWaalsContact O-CE1 3.26Å; G186-Y188 WeakPolarHBondContact O-CE1 3.44Å
187	Q	98.5	Very high	96.8	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.056	16%	0.158	C	C	.	.			trans	-77.5	126.8	167.9	-176.4	168.9	-92.6	0	0	110.7	P71 H175 Q177 T178 L182 A184	P71-Q187 HydrophobicContact CG-CG 4.16Å; H175-Q187 WeakPolarHBondContact O-CA 3.44Å; Q177-Q187 HydrophobicContact CB-CB 4.26Å; Q177-Q187 HydrophobicContact CG-CB 4.4Å; T178-Q187 PolarHBondContact OG1-NE2 3.42Å; T178-Q187 PolarHBondContact OG1-OE1 3.32Å; L182-Q187 PolarHBondContact O-NE2 3.45Å; A184-Q187 HydrophobicContact CB-CB 4.15Å; A184-Q187 WeakPolarHBondContact O-CB 3.43Å; A184-Q187 PolarHBondContact O-N 3.32Å
188	Y	98.7	Very high	96.8	Very high	61 Å²	61	25.6 Å²	25.6	24%	0.239	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-155.3	161.7	177.4	53.5	-100.5	0	0	0	111.6	R68 R69 N173 T174 H175 G186	R68-Y188 HydrophobicContact CB-CD2 4.14Å; R68-Y188 HydrophobicContact CB-CG 4.21Å; R68-Y188 HydrophobicContact CG-CD2 3.72Å; R68-Y188 HydrophobicContact CG-CE2 4.12Å; R68-Y188 HydrophobicContact CG-CG 4.25Å; R68-Y188 PolarHBondContact NH1-OH 3.42Å; R69-Y188 WeakPolarHBondContact O-CA 3.36Å; N173-Y188 WeakPolarHBondContact O-CD2 3.38Å; T174-Y188 CarbonylContact C-O 3.58Å; T174-Y188 VanDerWaalsContact CA-O 3.3Å; T174-Y188 WeakPolarHBondContact CA-O 3.33Å; H175-Y188 HydrophobicContact CB-CD2 4.5Å; H175-Y188 HydrophobicContact CB-CE1 4.04Å; H175-Y188 HydrophobicContact CB-CE2 3.95Å; H175-Y188 PolarHBondContact N-O 3.49Å; H175-Y188 PolarHBondContact O-N 3.45Å; H175-Y188 VanDerWaalsContact O-O 3.12Å; G186-Y188 WeakPolarHBondContact O-CD1 3.34Å; G186-Y188 VanDerWaalsContact O-CE1 3.26Å; G186-Y188 WeakPolarHBondContact O-CE1 3.44Å
189	S	98.8	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-145.9	178.9	165.6	-163.1	0	0	0	0	110.3	R68 R69 N173 T174 M194	R68-S189 CarbonylContact C-O 3.59Å; R68-S189 WeakPolarHBondContact CA-O 3.41Å; R69-S189 PolarHBondContact N-O 3.2Å; R69-S189 PolarHBondContact O-N 3.15Å; R69-S189 VanDerWaalsContact O-O 3.13Å; N173-S189 CarbonylContact O-C 3.48Å; N173-S189 WeakPolarHBondContact O-CA 3.5Å; T174-S189 PolarHBondContact OG1-OG 3.47Å; S189-M194 WeakPolarHBondContact OG-CE 3.37Å
190	S	98.9	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.			trans	-120.4	168.2	167.8	76.7	0	0	0	0	111.6	A65 N173 R192 D193 M194 M269	A65-S190 WeakPolarHBondContact O-CB 3.33Å; A65-S190 PolarHBondContact O-OG 3.48Å; N173-S190 PolarHBondContact O-N 3.2Å; S190-R192 VanDerWaalsContact C-N 3.32Å; S190-D193 PolarHBondContact O-N 2.91Å; S190-D193 WeakPolarHBondContact OG-CB 3.36Å; S190-D193 PolarHBondContact OG-N 3.49Å; S190-M194 WeakPolarHBondContact O-CB 3.41Å; S190-M194 WeakPolarHBondContact O-CG 3.37Å; S190-M194 PolarHBondContact O-N 3.42Å; S190-M269 VanDerWaalsContact C-SD 3.6Å
191	A	98.9	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-40.6	175.2	0	0	0	0	0	111.1	I50 A65 M194 A195 A267 M269	I50-A191 HydrophobicContact CB-CB 4.48Å; I50-A191 HydrophobicContact CG2-CB 4.18Å; I50-A191 VanDerWaalsContact CG2-O 3.29Å; I50-A191 WeakPolarHBondContact CG2-O 3.41Å; A65-A191 PolarHBondContact O-N 3.29Å; A65-A191 VanDerWaalsContact O-N 3.16Å; A191-M194 PolarHBondContact O-N 3.02Å; A191-A195 PolarHBondContact O-N 3.36Å; A191-A267 HydrophobicContact CB-CB 4.36Å; A191-A267 WeakPolarHBondContact O-CB 3.23Å; A191-M269 HydrophobicContact CB-SD 4.28Å
192	R	98.9	Very high	97.1	Very high	53 Å²	53	25.8 Å²	25.8	20%	0.2	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-51.3	175.3	-169.7	-176.3	-52	-74.2	0.8	110.9	I50 E62 A65 D66 S190 M194 A195 L196	I50-R192 HydrophobicContact CD1-CB 3.97Å; I50-R192 HydrophobicContact CD1-CG 3.82Å; E62-R192 VanDerWaalsContact CD-NH2 3.32Å; E62-R192 IonicContact OE1-CZ 2.72Å; E62-R192 IonicContact OE1-NH1 3.69Å; E62-R192 PolarHBondContact OE1-NH1 2.92Å; E62-R192 VanDerWaalsContact OE1-NH1 3.12Å; E62-R192 IonicContact OE1-NH2 2.85Å; E62-R192 PolarHBondContact OE1-NH2 3.44Å; E62-R192 IonicContact OE2-CZ 3.03Å; E62-R192 IonicContact OE2-NH1 3.4Å; E62-R192 IonicContact OE2-NH2 3.9Å; E62-R192 PolarHBondContact OE2-NH2 2.91Å; A65-R192 HydrophobicContact CB-CB 4.27Å; A65-R192 WeakPolarHBondContact O-CB 2.86Å; A65-R192 PolarHBondContact O-N 3.45Å; D66-R192 WeakPolarHBondContact OD1-CD 3.21Å; D66-R192 IonicContact OD1-CZ 2.74Å; D66-R192 IonicContact OD1-NE 2.84Å; D66-R192 PolarHBondContact OD1-NE 2.78Å; D66-R192 IonicContact OD1-NH2 3.71Å; D66-R192 IonicContact OD2-CZ 2.71Å; D66-R192 IonicContact OD2-NE 3.63Å; D66-R192 PolarHBondContact OD2-NE 2.83Å; D66-R192 VanDerWaalsContact OD2-NE 3.16Å; D66-R192 IonicContact OD2-NH2 3.83Å; D66-R192 PolarHBondContact OD2-NH2 3.11Å; S190-R192 VanDerWaalsContact C-N 3.32Å; R192-M194 VanDerWaalsContact C-N 3.32Å; R192-M194 PolarHBondContact O-N 3.49Å; R192-A195 PolarHBondContact O-N 2.96Å; R192-L196 HydrophobicContact CG-CD1 4.31Å; R192-L196 WeakPolarHBondContact O-CG 3.36Å; R192-L196 PolarHBondContact O-N 3.04Å
193	D	98.9	Very high	97.4	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-34.5	-176.3	-70.1	-5.1	0	0	0	111.5	L171 K172 N173 T174 S190 L196 I197	L171-D193 HydrophobicContact CB-CB 4.15Å; L171-D193 HydrophobicContact CD1-CB 4.47Å; L171-D193 HydrophobicContact CD2-CB 4.13Å; L171-D193 HydrophobicContact CG-CB 4.47Å; K172-D193 PolarHBondContact N-OD2 2.86Å; K172-D193 VanDerWaalsContact N-OD2 3.09Å; N173-D193 VanDerWaalsContact C-OD2 3.25Å; N173-D193 VanDerWaalsContact CA-OD2 3.29Å; N173-D193 WeakPolarHBondContact CA-OD2 3.47Å; N173-D193 PolarHBondContact N-OD2 3.28Å; T174-D193 PolarHBondContact N-OD2 3.5Å; T174-D193 WeakPolarHBondContact OG1-CB 3.43Å; T174-D193 PolarHBondContact OG1-OD2 3.28Å; S190-D193 PolarHBondContact O-N 2.91Å; S190-D193 WeakPolarHBondContact OG-CB 3.36Å; S190-D193 PolarHBondContact OG-N 3.49Å; D193-L196 PolarHBondContact O-N 3.37Å; D193-I197 VanDerWaalsContact O-CG1 3.29Å; D193-I197 WeakPolarHBondContact O-CG1 3.24Å; D193-I197 PolarHBondContact O-N 3.48Å
194	M	98.9	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-37	172.8	-78.7	-66.7	147.7	0	0	113	P71 L74 M77 F176 S189 S190 A191 R192 I197 G198 V254 A267 M269	P71-M194 HydrophobicContact CB-CE 3.87Å; L74-M194 HydrophobicContact CB-CE 4.32Å; L74-M194 HydrophobicContact CB-SD 3.62Å; L74-M194 HydrophobicContact CD1-CB 4.49Å; L74-M194 HydrophobicContact CD1-CG 4.03Å; L74-M194 HydrophobicContact CD1-SD 4.15Å; M77-M194 HydrophobicContact SD-SD 4.4Å; F176-M194 HydrophobicContact CE1-CE 4.1Å; F176-M194 HydrophobicContact CZ-CE 4.01Å; S189-M194 WeakPolarHBondContact OG-CE 3.37Å; S190-M194 WeakPolarHBondContact O-CB 3.41Å; S190-M194 WeakPolarHBondContact O-CG 3.37Å; S190-M194 PolarHBondContact O-N 3.42Å; A191-M194 PolarHBondContact O-N 3.02Å; R192-M194 VanDerWaalsContact C-N 3.32Å; R192-M194 PolarHBondContact O-N 3.49Å; M194-I197 HydrophobicContact CE-CD1 3.8Å; M194-I197 HydrophobicContact SD-CD1 4.12Å; M194-G198 PolarHBondContact O-N 2.94Å; M194-V254 HydrophobicContact CB-CG2 3.89Å; M194-A267 HydrophobicContact CB-CB 4.25Å; M194-M269 HydrophobicContact CG-SD 4.26Å
195	A	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-37.7	172	0	0	0	0	0	111.9	I50 I52 A191 R192 G198 Q199 I265 A267	I50-A195 HydrophobicContact CG2-CB 3.55Å; I52-A195 HydrophobicContact CD1-CB 3.88Å; I52-A195 HydrophobicContact CG1-CB 4.28Å; A191-A195 PolarHBondContact O-N 3.36Å; R192-A195 PolarHBondContact O-N 2.96Å; A195-G198 PolarHBondContact O-N 2.79Å; A195-Q199 PolarHBondContact O-N 3.34Å; A195-I265 HydrophobicContact CB-CG2 4.15Å; A195-A267 HydrophobicContact CB-CB 4.19Å
196	L	98.9	Very high	98.8	Very high	54 Å²	54	22.7 Å²	22.7	28%	0.283	12%	0.116	S	C	.	.	H	α-helix	trans	-67.5	-39.2	175.3	-68.2	174.8	0	0	0	112.5	L171 R192 D193 G198 Q199 A200	L171-L196 HydrophobicContact CD2-CB 3.63Å; L171-L196 HydrophobicContact CD2-CD1 3.87Å; L171-L196 HydrophobicContact CD2-CG 4.42Å; R192-L196 HydrophobicContact CG-CD1 4.31Å; R192-L196 WeakPolarHBondContact O-CG 3.36Å; R192-L196 PolarHBondContact O-N 3.04Å; D193-L196 PolarHBondContact O-N 3.37Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-Q199 PolarHBondContact O-N 3.26Å; L196-A200 WeakPolarHBondContact O-CB 3.37Å; L196-A200 PolarHBondContact O-N 3.29Å
197	I	99	Very high	98.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-43.6	170.7	-66	165.5	0	0	0	109.9	M77 M78 L171 F176 D193 M194 Q199 A200 L201	M77-I197 HydrophobicContact CB-CG2 3.8Å; M77-I197 HydrophobicContact CE-CB 4.39Å; M77-I197 HydrophobicContact CE-CG2 4.11Å; M78-I197 HydrophobicContact CE-CD1 3.86Å; M78-I197 HydrophobicContact CE-CG1 3.78Å; M78-I197 HydrophobicContact CE-CG2 4.45Å; L171-I197 HydrophobicContact CD1-CD1 3.72Å; L171-I197 HydrophobicContact CD1-CG1 3.46Å; L171-I197 VanDerWaalsContact CD1-CG1 3.46Å; F176-I197 HydrophobicContact CZ-CD1 4.07Å; D193-I197 VanDerWaalsContact O-CG1 3.29Å; D193-I197 WeakPolarHBondContact O-CG1 3.24Å; D193-I197 PolarHBondContact O-N 3.48Å; M194-I197 HydrophobicContact CE-CD1 3.8Å; M194-I197 HydrophobicContact SD-CD1 4.12Å; I197-Q199 VanDerWaalsContact C-N 3.35Å; I197-Q199 PolarHBondContact O-N 3.33Å; I197-A200 PolarHBondContact O-N 2.6Å; I197-L201 HydrophobicContact CG2-CD1 4.39Å; I197-L201 PolarHBondContact O-N 2.91Å
198	G	98.9	Very high	98.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-45.6	174.2	0	0	0	0	0	112.6	M194 A195 L196 A200 L201 I202 I241	M194-G198 PolarHBondContact O-N 2.94Å; A195-G198 PolarHBondContact O-N 2.79Å; L196-G198 VanDerWaalsContact C-N 3.32Å; G198-A200 VanDerWaalsContact C-N 3.35Å; G198-A200 PolarHBondContact O-N 3.46Å; G198-L201 PolarHBondContact O-N 2.85Å; G198-I202 WeakPolarHBondContact O-CD1 3.34Å; G198-I202 WeakPolarHBondContact O-CG1 3.47Å; G198-I202 PolarHBondContact O-N 3.3Å; G198-I202 VanDerWaalsContact O-N 3.16Å; G198-I241 VanDerWaalsContact CA-CD1 3.45Å
199	Q	98.9	Very high	98.9	Very high	25 Å²	25	24.1 Å²	24.1	12%	0.117	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-43.2	176.1	-171	-171.1	49.2	0	0	111.4	I52 Y54 A195 L196 I197 I202 R203 I265	I52-Q199 HydrophobicContact CD1-CB 4.49Å; Y54-Q199 HydrophobicContact CD2-CB 4.48Å; Y54-Q199 HydrophobicContact CD2-CG 3.72Å; Y54-Q199 HydrophobicContact CE2-CG 4.07Å; Y54-Q199 PolarHBondContact O-NE2 2.99Å; A195-Q199 PolarHBondContact O-N 3.34Å; L196-Q199 PolarHBondContact O-N 3.26Å; I197-Q199 VanDerWaalsContact C-N 3.35Å; I197-Q199 PolarHBondContact O-N 3.33Å; Q199-I202 PolarHBondContact O-N 2.92Å; Q199-R203 VanDerWaalsContact O-CB 3.27Å; Q199-R203 WeakPolarHBondContact O-CB 3.37Å; Q199-R203 PolarHBondContact O-N 2.96Å; Q199-I265 HydrophobicContact CB-CD1 3.76Å; Q199-I265 HydrophobicContact CG-CD1 4.29Å
200	A	98.9	Very high	98.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-41.9	178.1	0	0	0	0	0	112.1	Y81 L169 L196 I197 G198 I202 R203 D204	Y81-A200 HydrophobicContact CD2-CB 4.19Å; Y81-A200 HydrophobicContact CE2-CB 3.56Å; L169-A200 HydrophobicContact CD1-CB 3.87Å; L169-A200 HydrophobicContact CD2-CB 3.71Å; L169-A200 HydrophobicContact CG-CB 4.47Å; L196-A200 WeakPolarHBondContact O-CB 3.37Å; L196-A200 PolarHBondContact O-N 3.29Å; I197-A200 PolarHBondContact O-N 2.6Å; G198-A200 VanDerWaalsContact C-N 3.35Å; G198-A200 PolarHBondContact O-N 3.46Å; A200-I202 VanDerWaalsContact C-N 3.34Å; A200-I202 PolarHBondContact O-N 3.43Å; A200-R203 PolarHBondContact O-N 3.18Å; A200-D204 VanDerWaalsContact O-CB 3.28Å; A200-D204 WeakPolarHBondContact O-CB 3.46Å; A200-D204 PolarHBondContact O-N 3.49Å
201	L	98.9	Very high	98.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-54.5	-50.2	173.6	-86.1	168.3	0	0	0	111.5	M77 Y81 I197 G198 R203 V205 Y209 Y212 I241	M77-L201 HydrophobicContact CB-CD1 3.81Å; M77-L201 HydrophobicContact CE-CD1 4.06Å; M77-L201 HydrophobicContact CG-CD1 4.23Å; Y81-L201 HydrophobicContact CD2-CD2 4.06Å; Y81-L201 HydrophobicContact CD2-CG 4.1Å; Y81-L201 HydrophobicContact CG-CD2 4.45Å; I197-L201 HydrophobicContact CG2-CD1 4.39Å; I197-L201 PolarHBondContact O-N 2.91Å; G198-L201 PolarHBondContact O-N 2.85Å; L201-R203 PolarHBondContact O-N 3.3Å; L201-V205 HydrophobicContact CD2-CG2 3.76Å; L201-V205 CarbonylContact O-C 3.6Å; L201-V205 WeakPolarHBondContact O-CG2 3.31Å; L201-V205 PolarHBondContact O-N 3.16Å; L201-Y209 HydrophobicContact CB-CD2 4.36Å; L201-Y212 HydrophobicContact CD1-CE2 4.14Å; L201-Y212 HydrophobicContact CD2-CE2 4.46Å; L201-I241 HydrophobicContact CD1-CG2 4.17Å
202	I	98.9	Very high	98.9	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.072	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-43.2	-179.8	-64	158	0	0	0	111.1	Y54 G198 Q199 A200 Y209 I241 I265	Y54-I202 HydrophobicContact CD2-CB 4.11Å; Y54-I202 HydrophobicContact CD2-CD1 4.27Å; Y54-I202 HydrophobicContact CD2-CG2 3.92Å; Y54-I202 HydrophobicContact CE1-CG2 4.4Å; Y54-I202 HydrophobicContact CE2-CB 3.69Å; Y54-I202 HydrophobicContact CE2-CG2 3.42Å; Y54-I202 VanDerWaalsContact CE2-CG2 3.42Å; G198-I202 WeakPolarHBondContact O-CD1 3.34Å; G198-I202 WeakPolarHBondContact O-CG1 3.47Å; G198-I202 PolarHBondContact O-N 3.3Å; G198-I202 VanDerWaalsContact O-N 3.16Å; Q199-I202 PolarHBondContact O-N 2.92Å; A200-I202 VanDerWaalsContact C-N 3.34Å; A200-I202 PolarHBondContact O-N 3.43Å; I202-Y209 HydrophobicContact CB-CD2 4.43Å; I202-Y209 HydrophobicContact CB-CG 4.41Å; I202-Y209 HydrophobicContact CD1-CE2 3.92Å; I202-Y209 HydrophobicContact CG1-CD1 3.98Å; I202-Y209 HydrophobicContact CG1-CD2 3.46Å; I202-Y209 VanDerWaalsContact CG1-CD2 3.46Å; I202-Y209 HydrophobicContact CG1-CE1 3.82Å; I202-Y209 HydrophobicContact CG1-CE2 3.27Å; I202-Y209 HydrophobicContact CG1-CG 3.81Å; I202-Y209 VanDerWaalsContact CG1-CZ 3.47Å; I202-I241 HydrophobicContact CD1-CD1 4.27Å; I202-I265 HydrophobicContact CD1-CD1 3.78Å; I202-I265 HydrophobicContact CD1-CG1 4.08Å
203	R	98.7	Very high	98.8	Very high	115 Å²	115	30.1 Å²	30.1	43%	0.434	15%	0.152	S	C	.	.	H	α-helix	trans	-76.8	-48.5	-173.7	-175.8	-172.9	67.3	-145.1	-6.8	113.1	Y54 Q199 A200 L201	Y54-R203 HydrophobicContact CE2-CB 4.06Å; Y54-R203 WeakPolarHBondContact OH-CA 3.35Å; Q199-R203 VanDerWaalsContact O-CB 3.27Å; Q199-R203 WeakPolarHBondContact O-CB 3.37Å; Q199-R203 PolarHBondContact O-N 2.96Å; A200-R203 PolarHBondContact O-N 3.18Å; L201-R203 PolarHBondContact O-N 3.3Å
204	D	98.8	Very high	98.8	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-95	-32.7	-163.4	-57.5	-30.1	0	0	0	112.2	Y81 K88 A200 P206	Y81-D204 HydrophobicContact CE2-CB 3.92Å; Y81-D204 PolarHBondContact OH-OD2 2.71Å; K88-D204 VanDerWaalsContact CD-O 3.3Å; K88-D204 WeakPolarHBondContact CD-O 3.49Å; K88-D204 WeakPolarHBondContact CE-O 3.46Å; K88-D204 PolarHBondContact NZ-O 3.39Å; A200-D204 VanDerWaalsContact O-CB 3.28Å; A200-D204 WeakPolarHBondContact O-CB 3.46Å; A200-D204 PolarHBondContact O-N 3.49Å; D204-P206 VanDerWaalsContact C-CD 3.42Å
205	V	98.9	Very high	98.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.181	C	C	.	.			trans	-130.3	57.1	-175.5	-65.6	0	0	0	0	111.4	Y81 Q85 L201 N207 E208 Y209	Y81-V205 HydrophobicContact CD2-CG2 3.99Å; Y81-V205 HydrophobicContact CE2-CG2 4.4Å; Q85-V205 HydrophobicContact CG-CG1 3.91Å; L201-V205 HydrophobicContact CD2-CG2 3.76Å; L201-V205 CarbonylContact O-C 3.6Å; L201-V205 WeakPolarHBondContact O-CG2 3.31Å; L201-V205 PolarHBondContact O-N 3.16Å; V205-N207 PolarHBondContact O-N 3.49Å; V205-N207 VanDerWaalsContact O-N 3.09Å; V205-E208 HydrophobicContact CB-CB 4.12Å; V205-E208 HydrophobicContact CG2-CB 4.16Å; V205-E208 WeakPolarHBondContact O-CB 3.38Å; V205-E208 PolarHBondContact O-N 3.38Å; V205-Y209 PolarHBondContact O-N 2.86Å
206	P	98.8	Very high	98.8	Very high	69 Å²	69	41 Å²	41	45%	0.448	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-27.4	-172.6	25	-36	0	0	0	113.9	D204 Y209 S210	D204-P206 VanDerWaalsContact C-CD 3.42Å; P206-Y209 PolarHBondContact O-N 3.38Å; P206-S210 WeakPolarHBondContact O-CB 3.34Å; P206-S210 PolarHBondContact O-N 3.1Å
207	N	98.7	Very high	98.7	Very high	124 Å²	124	39.1 Å²	39.1	66%	0.663	19%	0.192	S	C	*	.	H	α-helix	trans	-65.9	-44.9	174.8	-66.1	-11.5	0	0	0	111.3	V205 S210	V205-N207 PolarHBondContact O-N 3.49Å; V205-N207 VanDerWaalsContact O-N 3.09Å; N207-S210 WeakPolarHBondContact O-CB 3.29Å; N207-S210 PolarHBondContact O-N 2.89Å; N207-S210 PolarHBondContact O-OG 3.24Å
208	E	98.8	Very high	98.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-43.2	173.7	-178.7	62.6	-155.7	0	0	110.4	S80 N136 V205 S210 I211	S80-E208 WeakPolarHBondContact O-CG 3.46Å; N136-E208 PolarHBondContact ND2-OE1 3.48Å; V205-E208 HydrophobicContact CB-CB 4.12Å; V205-E208 HydrophobicContact CG2-CB 4.16Å; V205-E208 WeakPolarHBondContact O-CB 3.38Å; V205-E208 PolarHBondContact O-N 3.38Å; E208-S210 PolarHBondContact O-N 2.85Å; E208-I211 WeakPolarHBondContact O-CB 3.49Å; E208-I211 PolarHBondContact O-N 2.88Å
209	Y	98.9	Very high	98.6	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-37.6	177.1	-177	-103.2	0	0	0	112.6	L201 I202 V205 P206 I211 Y212 D239 I241 S256	L201-Y209 HydrophobicContact CB-CD2 4.36Å; I202-Y209 HydrophobicContact CB-CD2 4.43Å; I202-Y209 HydrophobicContact CB-CG 4.41Å; I202-Y209 HydrophobicContact CD1-CE2 3.92Å; I202-Y209 HydrophobicContact CG1-CD1 3.98Å; I202-Y209 HydrophobicContact CG1-CD2 3.46Å; I202-Y209 VanDerWaalsContact CG1-CD2 3.46Å; I202-Y209 HydrophobicContact CG1-CE1 3.82Å; I202-Y209 HydrophobicContact CG1-CE2 3.27Å; I202-Y209 HydrophobicContact CG1-CG 3.81Å; I202-Y209 VanDerWaalsContact CG1-CZ 3.47Å; V205-Y209 PolarHBondContact O-N 2.86Å; P206-Y209 PolarHBondContact O-N 3.38Å; Y209-I211 PolarHBondContact O-N 3.09Å; Y209-Y212 AromaticContact CD2-CD2 3.91Å; Y209-Y212 HydrophobicContact CD2-CD2 3.91Å; Y209-Y212 HydrophobicContact CE2-CD2 4.37Å; Y209-Y212 WeakPolarHBondContact O-CD2 3.48Å; Y209-Y212 PolarHBondContact O-N 2.95Å; Y209-D239 PolarHBondContact OH-OD1 2.99Å; Y209-I241 HydrophobicContact CE2-CD1 3.83Å; Y209-I241 HydrophobicContact CE2-CG1 3.85Å; Y209-I241 HydrophobicContact CE2-CG2 4.42Å; Y209-S256 WeakPolarHBondContact OH-CB 3.49Å
210	S	98.6	Very high	98.4	Very high	54 Å²	54	47.8 Å²	47.8	38%	0.378	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-59.7	-19.7	-176.6	81.5	0	0	0	0	114	P206 N207 E208 K213	P206-S210 WeakPolarHBondContact O-CB 3.34Å; P206-S210 PolarHBondContact O-N 3.1Å; N207-S210 WeakPolarHBondContact O-CB 3.29Å; N207-S210 PolarHBondContact O-N 2.89Å; N207-S210 PolarHBondContact O-OG 3.24Å; E208-S210 PolarHBondContact O-N 2.85Å; S210-K213 WeakPolarHBondContact O-CG 3.13Å
211	I	98.7	Very high	98.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-75.3	-30.1	179.5	-58.1	174.7	0	0	0	110.9	I132 R133 N136 L137 E208 Y209 K213 E214	I132-I211 HydrophobicContact CD1-CD1 3.3Å; I132-I211 HydrophobicContact CG1-CD1 3.74Å; R133-I211 HydrophobicContact CG-CG2 3.64Å; N136-I211 HydrophobicContact CB-CG2 4.17Å; L137-I211 HydrophobicContact CD1-CG2 3.81Å; E208-I211 WeakPolarHBondContact O-CB 3.49Å; E208-I211 PolarHBondContact O-N 2.88Å; Y209-I211 PolarHBondContact O-N 3.09Å; I211-K213 PolarHBondContact O-N 2.97Å; I211-K213 VanDerWaalsContact O-N 3.12Å; I211-E214 WeakPolarHBondContact O-CB 3.4Å; I211-E214 WeakPolarHBondContact O-CG 3.26Å; I211-E214 PolarHBondContact O-N 3.47Å
212	Y	98.8	Very high	98	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.5	-22.7	-174.8	-75.9	-71.3	0	0	0	114.4	S80 N136 L201 Y209 N226 L231 I241 K242	S80-Y212 WeakPolarHBondContact CB-OH 3.18Å; S80-Y212 PolarHBondContact OG-OH 2.95Å; N136-Y212 HydrophobicContact CB-CD1 3.88Å; N136-Y212 HydrophobicContact CB-CE1 3.69Å; N136-Y212 PolarHBondContact OD1-OH 2.95Å; L201-Y212 HydrophobicContact CD1-CE2 4.14Å; L201-Y212 HydrophobicContact CD2-CE2 4.46Å; Y209-Y212 AromaticContact CD2-CD2 3.91Å; Y209-Y212 HydrophobicContact CD2-CD2 3.91Å; Y209-Y212 HydrophobicContact CE2-CD2 4.37Å; Y209-Y212 WeakPolarHBondContact O-CD2 3.48Å; Y209-Y212 PolarHBondContact O-N 2.95Å; Y212-N226 PolarHBondContact O-ND2 2.99Å; Y212-L231 WeakPolarHBondContact O-CD1 3.48Å; Y212-I241 HydrophobicContact CD1-CG2 3.91Å; Y212-I241 WeakPolarHBondContact CD1-O 3.23Å; Y212-I241 HydrophobicContact CD2-CG2 3.8Å; Y212-I241 HydrophobicContact CE1-CG2 3.86Å; Y212-I241 HydrophobicContact CE2-CG2 3.74Å; Y212-I241 HydrophobicContact CG-CG2 3.88Å; Y212-K242 HydrophobicContact CE1-CD 4.03Å
213	K	98.6	Very high	97.9	Very high	123 Å²	123	63.1 Å²	63.1	54%	0.535	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-84.5	-10.1	177.1	77	-174.1	175.9	179	0	113.9	S210 I211 K215 L231 D239	S210-K213 WeakPolarHBondContact O-CG 3.13Å; I211-K213 PolarHBondContact O-N 2.97Å; I211-K213 VanDerWaalsContact O-N 3.12Å; K213-K215 PolarHBondContact O-N 2.88Å; K213-L231 HydrophobicContact CB-CD2 4.48Å; K213-D239 HydrophobicContact CB-CB 3.88Å; K213-D239 HydrophobicContact CD-CB 4.42Å; K213-D239 PolarHBondContact N-O 3.31Å
214	E	98.7	Very high	97.8	Very high	51 Å²	51	59.6 Å²	59.6	24%	0.238	32%	0.316	C	S	.	.			trans	-62.7	122.9	175	-64.6	-179.8	-169.4	0	0	108.8	R133 L137 I211 E216 N226	R133-E214 WeakPolarHBondContact CD-OE2 3.49Å; R133-E214 IonicContact CZ-OE1 3.74Å; R133-E214 IonicContact CZ-OE2 2.84Å; R133-E214 IonicContact NE-OE1 3.97Å; R133-E214 PolarHBondContact NE-OE1 3.21Å; R133-E214 IonicContact NE-OE2 3.8Å; R133-E214 PolarHBondContact NE-OE2 3.42Å; R133-E214 IonicContact NH2-OE1 2.8Å; R133-E214 PolarHBondContact NH2-OE1 3.03Å; R133-E214 IonicContact NH2-OE2 3.98Å; L137-E214 HydrophobicContact CD1-CB 4.29Å; L137-E214 HydrophobicContact CD2-CB 3.93Å; L137-E214 HydrophobicContact CG-CB 4.43Å; I211-E214 WeakPolarHBondContact O-CB 3.4Å; I211-E214 WeakPolarHBondContact O-CG 3.26Å; I211-E214 PolarHBondContact O-N 3.47Å; E214-E216 VanDerWaalsContact C-N 3.34Å; E214-N226 WeakPolarHBondContact O-CB 3.27Å; E214-N226 PolarHBondContact O-ND2 2.88Å
215	K	98.5	Very high	97.8	Very high	86 Å²	86	62.7 Å²	62.7	37%	0.374	33%	0.333	S	S	.	.			trans	-76.2	-26.2	-176.6	-78.1	179	171	-178.5	0	112.7	K213 N226 L231 W232	K213-K215 PolarHBondContact O-N 2.88Å; K215-N226 WeakPolarHBondContact O-CB 3.37Å; K215-N226 PolarHBondContact O-N 2.88Å; K215-L231 WeakPolarHBondContact CE-O 3.25Å; K215-L231 HydrophobicContact CG-CB 4.36Å; K215-L231 PolarHBondContact NZ-O 3.43Å; K215-W232 HydrophobicContact CB-CH2 4.18Å; K215-W232 HydrophobicContact CB-CZ2 3.59Å; K215-W232 HydrophobicContact CD-CD2 4.35Å; K215-W232 HydrophobicContact CD-CZ2 4.27Å; K215-W232 HydrophobicContact CG-CD2 4.41Å; K215-W232 HydrophobicContact CG-CH2 4.31Å; K215-W232 HydrophobicContact CG-CZ2 3.82Å; K215-W232 WeakPolarHBondContact O-CH2 3.27Å; K215-W232 WeakPolarHBondContact O-CZ2 2.93Å
216	E	98.1	Very high	97.7	Very high	95 Å²	95	63 Å²	63	44%	0.444	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156.6	-179.8	61.4	-176.6	-137.1	0	0	111.2	E214 R223 Q224 L225	E214-E216 VanDerWaalsContact C-N 3.34Å; E216-R223 HydrophobicContact CB-CG 4.28Å; E216-R223 WeakPolarHBondContact OE1-CD 3.32Å; E216-R223 WeakPolarHBondContact OE2-CD 3.37Å; E216-R223 IonicContact OE2-NE 3.71Å; E216-Q224 CarbonylContact C-O 3.6Å; E216-Q224 WeakPolarHBondContact CA-O 3.47Å; E216-Q224 WeakPolarHBondContact CB-O 3.34Å; E216-L225 HydrophobicContact CB-CD2 3.79Å; E216-L225 WeakPolarHBondContact OE2-CD2 3.44Å
217	F	98	Very high	97.6	Very high	16 Å²	16	64.6 Å²	64.6	7%	0.07	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.8	165.6	82	-63.6	0	0	0	109.4	M118 R133 L137 Q138 F219 Q224	M118-F217 HydrophobicContact CE-CE2 4.05Å; M118-F217 HydrophobicContact CE-CZ 4.23Å; R133-F217 HydrophobicContact CB-CB 4.34Å; R133-F217 HydrophobicContact CB-CD1 4.34Å; R133-F217 HydrophobicContact CB-CD2 3.63Å; R133-F217 HydrophobicContact CB-CE2 3.94Å; R133-F217 HydrophobicContact CB-CG 3.85Å; R133-F217 HydrophobicContact CB-CZ 4.45Å; L137-F217 HydrophobicContact CB-CD1 4.1Å; L137-F217 HydrophobicContact CB-CE1 4.27Å; L137-F217 HydrophobicContact CD2-CB 3.9Å; L137-F217 HydrophobicContact CD2-CD1 3.59Å; L137-F217 HydrophobicContact CD2-CG 4.08Å; L137-F217 HydrophobicContact CG-CD1 4.47Å; Q138-F217 HydrophobicContact CB-CE1 4.14Å; F217-F219 HydrophobicContact CD2-CB 4.45Å; F217-F219 HydrophobicContact CE2-CB 3.75Å; F217-F219 HydrophobicContact CZ-CB 4.2Å; F217-Q224 HydrophobicContact CD1-CB 3.84Å; F217-Q224 HydrophobicContact CE1-CB 3.49Å; F217-Q224 VanDerWaalsContact CE1-CB 3.49Å; F217-Q224 HydrophobicContact CE1-CG 4.04Å; F217-Q224 HydrophobicContact CZ-CB 4.28Å; F217-Q224 HydrophobicContact CZ-CG 4.35Å; F217-Q224 PolarHBondContact N-O 2.54Å; F217-Q224 PolarHBondContact O-N 3.04Å
218	T	97.7	Very high	97.5	Very high	79 Å²	79	58.7 Å²	58.7	49%	0.485	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.6	177.7	-61.5	0	0	0	0	109.7	I222	T218-I222 WeakPolarHBondContact CA-O 3.31Å
219	F	97.5	Very high	97.3	Very high	13 Å²	13	59.8 Å²	59.8	6%	0.057	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.5	173.5	178	-107.1	0	0	0	109.3	M118 L120 V126 Q130 F217 G221 I222	M118-F219 HydrophobicContact CB-CD1 4.35Å; M118-F219 HydrophobicContact CB-CE1 4.27Å; M118-F219 HydrophobicContact CE-CB 4.13Å; M118-F219 HydrophobicContact CE-CD1 3.9Å; M118-F219 HydrophobicContact CE-CD2 3.41Å; M118-F219 VanDerWaalsContact CE-CD2 3.41Å; M118-F219 HydrophobicContact CE-CE1 4.17Å; M118-F219 HydrophobicContact CE-CE2 3.73Å; M118-F219 HydrophobicContact CE-CG 3.51Å; M118-F219 HydrophobicContact CE-CZ 4.11Å; M118-F219 WeakPolarHBondContact O-CD1 3.31Å; M118-F219 WeakPolarHBondContact O-CE1 3.49Å; L120-F219 HydrophobicContact CD2-CE1 4.09Å; L120-F219 HydrophobicContact CD2-CE2 4.32Å; L120-F219 HydrophobicContact CD2-CZ 3.58Å; V126-F219 HydrophobicContact CG1-CE2 3.84Å; V126-F219 HydrophobicContact CG2-CE2 4.24Å; V126-F219 HydrophobicContact CG2-CZ 4.41Å; Q130-F219 HydrophobicContact CB-CD2 4.34Å; F217-F219 HydrophobicContact CD2-CB 4.45Å; F217-F219 HydrophobicContact CE2-CB 3.75Å; F217-F219 HydrophobicContact CZ-CB 4.2Å; F219-G221 VanDerWaalsContact C-N 3.25Å; F219-G221 PolarHBondContact O-N 3.25Å; F219-I222 PolarHBondContact N-O 2.97Å; F219-I222 PolarHBondContact O-N 3.21Å
220	N	93.9	Very high	97.2	Very high	115 Å²	115	59.4 Å²	59.4	62%	0.615	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	42.4	178.5	-163.4	27.8	0	0	0	113.9	I222	N220-I222 PolarHBondContact O-N 2.91Å
221	G	94.9	Very high	97.2	Very high	77 Å²	77	57.5 Å²	57.5	79%	0.794	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	2	-177.9	0	0	0	0	0	115.3	F219	F219-G221 VanDerWaalsContact C-N 3.25Å; F219-G221 PolarHBondContact O-N 3.25Å
222	I	95.7	Very high	97.2	Very high	98 Å²	98	62.2 Å²	62.2	50%	0.503	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.5	-177.6	-55.3	167.9	0	0	0	109.3	T218 F219 N220 Q224	T218-I222 WeakPolarHBondContact CA-O 3.31Å; F219-I222 PolarHBondContact N-O 2.97Å; F219-I222 PolarHBondContact O-N 3.21Å; N220-I222 PolarHBondContact O-N 2.91Å; I222-Q224 VanDerWaalsContact CG2-NE2 3.32Å
223	R	97.5	Very high	97.1	Very high	162 Å²	162	64.1 Å²	64.1	61%	0.611	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.9	173	-173.5	179.5	68.1	-163.2	-2.2	110.3	E216	E216-R223 HydrophobicContact CB-CG 4.28Å; E216-R223 WeakPolarHBondContact OE1-CD 3.32Å; E216-R223 WeakPolarHBondContact OE2-CD 3.37Å; E216-R223 IonicContact OE2-NE 3.71Å
224	Q	96.7	Very high	97.1	Very high	40 Å²	40	66.1 Å²	66.1	19%	0.187	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.4	178.9	-60.8	-64.3	-24.9	0	0	109.1	Q138 E216 F217 I222	Q138-Q224 HydrophobicContact CG-CB 4.28Å; Q138-Q224 HydrophobicContact CG-CG 4.42Å; E216-Q224 CarbonylContact C-O 3.6Å; E216-Q224 WeakPolarHBondContact CA-O 3.47Å; E216-Q224 WeakPolarHBondContact CB-O 3.34Å; F217-Q224 HydrophobicContact CD1-CB 3.84Å; F217-Q224 HydrophobicContact CE1-CB 3.49Å; F217-Q224 VanDerWaalsContact CE1-CB 3.49Å; F217-Q224 HydrophobicContact CE1-CG 4.04Å; F217-Q224 HydrophobicContact CZ-CB 4.28Å; F217-Q224 HydrophobicContact CZ-CG 4.35Å; F217-Q224 PolarHBondContact N-O 2.54Å; F217-Q224 PolarHBondContact O-N 3.04Å; I222-Q224 VanDerWaalsContact CG2-NE2 3.32Å
225	L	97.4	Very high	97	Very high	93 Å²	93	67.1 Å²	67.1	49%	0.487	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148.2	177.6	-59.7	-178.3	0	0	0	110.9	E216	E216-L225 HydrophobicContact CB-CD2 3.79Å; E216-L225 WeakPolarHBondContact OE2-CD2 3.44Å
226	N	97.8	Very high	97	Very high	10 Å²	10	64.1 Å²	64.1	5%	0.053	34%	0.341	C	S	.	.			trans	-64.2	136	169.4	-166.3	-42	0	0	0	110.3	L137 Y212 E214 K215 N228 L231 W232	L137-N226 HydrophobicContact CB-CB 4.22Å; L137-N226 HydrophobicContact CG-CB 4.12Å; L137-N226 WeakPolarHBondContact O-CA 3.1Å; Y212-N226 PolarHBondContact O-ND2 2.99Å; E214-N226 WeakPolarHBondContact O-CB 3.27Å; E214-N226 PolarHBondContact O-ND2 2.88Å; K215-N226 WeakPolarHBondContact O-CB 3.37Å; K215-N226 PolarHBondContact O-N 2.88Å; N226-N228 VanDerWaalsContact C-N 3.27Å; N226-N228 PolarHBondContact O-N 3.1Å; N226-N228 WeakPolarHBondContact OD1-CB 3.44Å; N226-N228 PolarHBondContact OD1-N 2.94Å; N226-L231 HydrophobicContact CB-CD1 3.98Å; N226-L231 VanDerWaalsContact CG-CD1 3.48Å; N226-L231 VanDerWaalsContact ND2-CD1 3.29Å; N226-L231 WeakPolarHBondContact ND2-CD1 3.43Å; N226-W232 HydrophobicContact CB-CH2 3.88Å; N226-W232 HydrophobicContact CB-CZ3 4.27Å; N226-W232 VanDerWaalsContact O-CH2 3.3Å; N226-W232 WeakPolarHBondContact O-CH2 3.42Å; N226-W232 WeakPolarHBondContact O-CZ3 3.45Å
227	R	95.4	Very high	97	Very high	103 Å²	103	64.4 Å²	64.4	39%	0.389	35%	0.346	S	S	.	.	S	Bend	trans	-76.4	-12	-179.4	-63.5	-176	-177.9	-78.7	-1.2	113.9	S116 L137 Q138 G229 T243	S116-R227 VanDerWaalsContact OG-CZ 3.31Å; S116-R227 PolarHBondContact OG-NE 3.12Å; S116-R227 PolarHBondContact OG-NH2 3.22Å; L137-R227 PolarHBondContact O-N 2.9Å; L137-R227 VanDerWaalsContact O-N 3.1Å; Q138-R227 PolarHBondContact O-NE 3.41Å; Q138-R227 PolarHBondContact O-NH2 3.26Å; R227-G229 PolarHBondContact O-N 2.93Å; R227-T243 WeakPolarHBondContact CB-OG1 3.43Å; R227-T243 WeakPolarHBondContact O-CG2 3.24Å
228	N	96.7	Very high	97.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.346	C	S	.	.			trans	-81.7	91.5	178.4	-176	9.5	0	0	0	111.2	N226 L230 L231 W232 G240 T243	N226-N228 VanDerWaalsContact C-N 3.27Å; N226-N228 PolarHBondContact O-N 3.1Å; N226-N228 WeakPolarHBondContact OD1-CB 3.44Å; N226-N228 PolarHBondContact OD1-N 2.94Å; N228-L230 PolarHBondContact O-N 2.97Å; N228-L230 VanDerWaalsContact O-N 3.1Å; N228-L230 WeakPolarHBondContact OD1-CB 3.36Å; N228-L230 PolarHBondContact OD1-N 2.99Å; N228-L231 HydrophobicContact CB-CD1 4.17Å; N228-L231 HydrophobicContact CB-CG 4.16Å; N228-L231 WeakPolarHBondContact O-CB 3.48Å; N228-L231 WeakPolarHBondContact O-CG 3.1Å; N228-L231 PolarHBondContact O-N 2.83Å; N228-L231 VanDerWaalsContact O-N 3.14Å; N228-W232 VanDerWaalsContact O-CZ3 3.24Å; N228-W232 WeakPolarHBondContact O-CZ3 3.43Å; N228-G240 VanDerWaalsContact ND2-C 3.32Å; N228-G240 PolarHBondContact ND2-O 2.93Å; N228-G240 VanDerWaalsContact ND2-O 3.12Å; N228-T243 HydrophobicContact CB-CG2 4.36Å
229	G	95.1	Very high	97.1	Very high	26 Å²	26	61.4 Å²	61.4	27%	0.268	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-58.8	-24	-178.2	0	0	0	0	0	114.4	R227 L231 W232 E278	R227-G229 PolarHBondContact O-N 2.93Å; G229-L231 PolarHBondContact O-N 3.46Å; G229-W232 PolarHBondContact O-N 3.11Å; G229-W232 VanDerWaalsContact O-N 3.1Å; G229-E278 PolarHBondContact N-OE1 2.94Å
230	L	97.2	Very high	97.2	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.031	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-65.4	-18.6	178.4	-72.1	-177	0	0	0	113.8	N228 W232 D233 V238 L253 A255 E278 K282	N228-L230 PolarHBondContact O-N 2.97Å; N228-L230 VanDerWaalsContact O-N 3.1Å; N228-L230 WeakPolarHBondContact OD1-CB 3.36Å; N228-L230 PolarHBondContact OD1-N 2.99Å; L230-W232 PolarHBondContact O-N 2.91Å; L230-D233 WeakPolarHBondContact O-CB 3.49Å; L230-D233 PolarHBondContact O-N 2.92Å; L230-D233 VanDerWaalsContact O-N 3.07Å; L230-V238 HydrophobicContact CB-CB 4.27Å; L230-V238 HydrophobicContact CB-CG1 3.85Å; L230-V238 HydrophobicContact CB-CG2 4.08Å; L230-L253 HydrophobicContact CD1-CD2 3.77Å; L230-L253 HydrophobicContact CG-CD2 4.4Å; L230-A255 HydrophobicContact CD1-CB 3.98Å; L230-E278 HydrophobicContact CD2-CB 4.09Å; L230-E278 HydrophobicContact CG-CB 4.11Å; L230-E278 HydrophobicContact CG-CG 4.23Å; L230-K282 HydrophobicContact CD2-CB 4.11Å
231	L	98.2	Very high	97.4	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.068	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.3	-19.9	173.2	-63	175.4	0	0	0	112.9	Y212 K213 K215 N226 N228 G229 V238	Y212-L231 WeakPolarHBondContact O-CD1 3.48Å; K213-L231 HydrophobicContact CB-CD2 4.48Å; K215-L231 WeakPolarHBondContact CE-O 3.25Å; K215-L231 HydrophobicContact CG-CB 4.36Å; K215-L231 PolarHBondContact NZ-O 3.43Å; N226-L231 HydrophobicContact CB-CD1 3.98Å; N226-L231 VanDerWaalsContact CG-CD1 3.48Å; N226-L231 VanDerWaalsContact ND2-CD1 3.29Å; N226-L231 WeakPolarHBondContact ND2-CD1 3.43Å; N228-L231 HydrophobicContact CB-CD1 4.17Å; N228-L231 HydrophobicContact CB-CG 4.16Å; N228-L231 WeakPolarHBondContact O-CB 3.48Å; N228-L231 WeakPolarHBondContact O-CG 3.1Å; N228-L231 PolarHBondContact O-N 2.83Å; N228-L231 VanDerWaalsContact O-N 3.14Å; G229-L231 PolarHBondContact O-N 3.46Å; L231-V238 HydrophobicContact CD2-CG1 4.16Å; L231-V238 WeakPolarHBondContact CD2-O 3.43Å
232	W	97.9	Very high	97.6	Very high	101 Å²	101	51.8 Å²	51.8	38%	0.383	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-97.4	3	177.2	-69.2	-98.1	0	0	0	113.2	K215 N226 N228 G229 L230 N234	K215-W232 HydrophobicContact CB-CH2 4.18Å; K215-W232 HydrophobicContact CB-CZ2 3.59Å; K215-W232 HydrophobicContact CD-CD2 4.35Å; K215-W232 HydrophobicContact CD-CZ2 4.27Å; K215-W232 HydrophobicContact CG-CD2 4.41Å; K215-W232 HydrophobicContact CG-CH2 4.31Å; K215-W232 HydrophobicContact CG-CZ2 3.82Å; K215-W232 WeakPolarHBondContact O-CH2 3.27Å; K215-W232 WeakPolarHBondContact O-CZ2 2.93Å; N226-W232 HydrophobicContact CB-CH2 3.88Å; N226-W232 HydrophobicContact CB-CZ3 4.27Å; N226-W232 VanDerWaalsContact O-CH2 3.3Å; N226-W232 WeakPolarHBondContact O-CH2 3.42Å; N226-W232 WeakPolarHBondContact O-CZ3 3.45Å; N228-W232 VanDerWaalsContact O-CZ3 3.24Å; N228-W232 WeakPolarHBondContact O-CZ3 3.43Å; G229-W232 PolarHBondContact O-N 3.11Å; G229-W232 VanDerWaalsContact O-N 3.1Å; L230-W232 PolarHBondContact O-N 2.91Å; W232-N234 PolarHBondContact O-N 3.49Å
233	D	97.6	Very high	97.6	Very high	39 Å²	39	47.7 Å²	47.7	21%	0.209	24%	0.238	C	C	.	.			trans	-81.5	112.6	178.3	-160.3	-44.6	0	0	0	111.1	L230 S235 K282	L230-D233 WeakPolarHBondContact O-CB 3.49Å; L230-D233 PolarHBondContact O-N 2.92Å; L230-D233 VanDerWaalsContact O-N 3.07Å; D233-S235 PolarHBondContact O-N 3.44Å; D233-S235 WeakPolarHBondContact OD1-CB 3.49Å; D233-S235 PolarHBondContact OD1-N 2.95Å; D233-S235 PolarHBondContact OD1-OG 2.83Å; D233-K282 IonicContact OD1-NZ 3.95Å; D233-K282 PolarHBondContact OD1-NZ 3.35Å; D233-K282 VanDerWaalsContact OD2-CD 3.25Å; D233-K282 WeakPolarHBondContact OD2-CD 3.41Å; D233-K282 VanDerWaalsContact OD2-CE 3.31Å; D233-K282 WeakPolarHBondContact OD2-CE 3.47Å; D233-K282 IonicContact OD2-NZ 3.8Å; D233-K282 PolarHBondContact OD2-NZ 3.34Å
234	N	97.7	Very high	97.5	Very high	165 Å²	165	40.2 Å²	40.2	88%	0.882	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.7	-179.2	-66	-41.1	0	0	0	113.7	W232	W232-N234 PolarHBondContact O-N 3.49Å
235	S	98	Very high	97.4	Very high	73 Å²	73	42 Å²	42	51%	0.51	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.5	-179	85.2	0	0	0	0	113.7	D233 K282	D233-S235 PolarHBondContact O-N 3.44Å; D233-S235 WeakPolarHBondContact OD1-CB 3.49Å; D233-S235 PolarHBondContact OD1-N 2.95Å; D233-S235 PolarHBondContact OD1-OG 2.83Å; S235-K282 WeakPolarHBondContact OG-CE 3.36Å; S235-K282 PolarHBondContact OG-NZ 3.02Å
236	L	98.1	Very high	97	Very high	22 Å²	22	39 Å²	39	12%	0.115	21%	0.205	C	C	.	.	S	Bend	trans	-138.2	141.8	178	-73.3	175.7	0	0	0	109.2	V238 K282 L285 T286 F289	L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 HydrophobicContact CB-CG2 3.77Å; L236-V238 HydrophobicContact CD1-CG2 4.28Å; L236-V238 PolarHBondContact O-N 3.09Å; L236-V238 VanDerWaalsContact O-N 3.1Å; L236-K282 HydrophobicContact CD1-CB 4.44Å; L236-K282 HydrophobicContact CD1-CG 3.94Å; L236-L285 HydrophobicContact CD1-CB 4.01Å; L236-L285 HydrophobicContact CD1-CD1 4.22Å; L236-T286 HydrophobicContact CD1-CG2 4.08Å; L236-T286 HydrophobicContact CD2-CG2 3.86Å; L236-T286 HydrophobicContact CG-CG2 4.09Å; L236-F289 HydrophobicContact CD2-CD2 4.04Å; L236-F289 HydrophobicContact CD2-CE2 4.23Å
237	N	98.7	Very high	96.5	Very high	101 Å²	101	46 Å²	46	54%	0.54	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	78.8	168.9	-171.7	40.1	0	0	0	110	A257 T258	N237-A257 CarbonylContact O-C 3.39Å; N237-A257 WeakPolarHBondContact O-CA 3.33Å; N237-T258 WeakPolarHBondContact CB-O 3.32Å; N237-T258 PolarHBondContact ND2-OG1 3.03Å; N237-T258 PolarHBondContact O-N 2.71Å
238	V	98.8	Very high	96.3	Very high	12 Å²	12	47 Å²	47	7%	0.073	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.8	177.5	178.1	0	0	0	0	109.4	L230 L231 L236 G240 S256 A257	L230-V238 HydrophobicContact CB-CB 4.27Å; L230-V238 HydrophobicContact CB-CG1 3.85Å; L230-V238 HydrophobicContact CB-CG2 4.08Å; L231-V238 HydrophobicContact CD2-CG1 4.16Å; L231-V238 WeakPolarHBondContact CD2-O 3.43Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 HydrophobicContact CB-CG2 3.77Å; L236-V238 HydrophobicContact CD1-CG2 4.28Å; L236-V238 PolarHBondContact O-N 3.09Å; L236-V238 VanDerWaalsContact O-N 3.1Å; V238-G240 WeakPolarHBondContact CG1-O 3.48Å; V238-S256 WeakPolarHBondContact CA-O 3.23Å; V238-S256 WeakPolarHBondContact CG1-O 3.18Å; V238-A257 HydrophobicContact CG2-CB 3.9Å
239	D	98.8	Very high	96.2	Very high	21 Å²	21	47 Å²	47	11%	0.112	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	12.2	179.8	66.3	-3	0	0	0	113.5	Y209 K213 S256 R263	Y209-D239 PolarHBondContact OH-OD1 2.99Å; K213-D239 HydrophobicContact CB-CB 3.88Å; K213-D239 HydrophobicContact CD-CB 4.42Å; K213-D239 PolarHBondContact N-O 3.31Å; D239-S256 PolarHBondContact N-O 3.03Å; D239-S256 VanDerWaalsContact N-O 3.14Å; D239-R263 IonicContact OD1-CZ 3.18Å; D239-R263 IonicContact OD1-NH1 3.29Å; D239-R263 PolarHBondContact OD1-NH1 2.73Å; D239-R263 IonicContact OD1-NH2 3.12Å; D239-R263 IonicContact OD2-CZ 2.7Å; D239-R263 IonicContact OD2-NH1 3.16Å; D239-R263 PolarHBondContact OD2-NH1 3.16Å; D239-R263 IonicContact OD2-NH2 3.89Å; D239-R263 PolarHBondContact OD2-NH2 3.05Å
240	G	98.6	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-175.3	177.6	0	0	0	0	0	112.9	N228 V238 A255 S256	N228-G240 VanDerWaalsContact ND2-C 3.32Å; N228-G240 PolarHBondContact ND2-O 2.93Å; N228-G240 VanDerWaalsContact ND2-O 3.12Å; V238-G240 WeakPolarHBondContact CG1-O 3.48Å; G240-A255 CarbonylContact O-C 3.57Å; G240-A255 VanDerWaalsContact O-CA 3.24Å; G240-A255 WeakPolarHBondContact O-CA 3.22Å; G240-S256 PolarHBondContact O-N 3.01Å
241	I	98.5	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-118	-71	-2	-42.6	-168.8	0	0	0	109.9	M77 G198 L201 I202 Y209 Y212 V254	M77-I241 HydrophobicContact CE-CB 4.43Å; M77-I241 HydrophobicContact CE-CD1 4.12Å; M77-I241 HydrophobicContact CE-CG2 4.17Å; M77-I241 HydrophobicContact CG-CG2 4.25Å; M77-I241 HydrophobicContact SD-CG2 4.4Å; G198-I241 VanDerWaalsContact CA-CD1 3.45Å; L201-I241 HydrophobicContact CD1-CG2 4.17Å; I202-I241 HydrophobicContact CD1-CD1 4.27Å; Y209-I241 HydrophobicContact CE2-CD1 3.83Å; Y209-I241 HydrophobicContact CE2-CG1 3.85Å; Y209-I241 HydrophobicContact CE2-CG2 4.42Å; Y212-I241 HydrophobicContact CD1-CG2 3.91Å; Y212-I241 WeakPolarHBondContact CD1-O 3.23Å; Y212-I241 HydrophobicContact CD2-CG2 3.8Å; Y212-I241 HydrophobicContact CE1-CG2 3.86Å; Y212-I241 HydrophobicContact CE2-CG2 3.74Å; Y212-I241 HydrophobicContact CG-CG2 3.88Å; I241-V254 CarbonylContact C-O 3.59Å; I241-V254 WeakPolarHBondContact CA-O 3.18Å; I241-V254 HydrophobicContact CB-CB 4.5Å; I241-V254 HydrophobicContact CB-CG1 4.34Å; I241-V254 HydrophobicContact CD1-CG1 3.99Å; I241-V254 HydrophobicContact CG1-CG1 4.13Å; I241-V254 PolarHBondContact N-O 3.26Å
242	K	98.6	Very high	96.2	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.6	-166	-162.3	75	-168.2	71.2	0	112.6	L74 M77 I135 S139 Y212 L253 V254	L74-K242 HydrophobicContact CD2-CB 4.01Å; L74-K242 HydrophobicContact CD2-CG 4.27Å; L74-K242 WeakPolarHBondContact CD2-O 3.45Å; M77-K242 HydrophobicContact CG-CB 3.6Å; M77-K242 HydrophobicContact CG-CG 4.09Å; M77-K242 HydrophobicContact SD-CB 3.82Å; I135-K242 WeakPolarHBondContact O-CE 3.36Å; S139-K242 VanDerWaalsContact CB-NZ 3.31Å; S139-K242 PolarHBondContact OG-NZ 3.01Å; Y212-K242 HydrophobicContact CE1-CD 4.03Å; K242-L253 WeakPolarHBondContact O-CA 3.32Å; K242-V254 PolarHBondContact N-O 3Å; K242-V254 PolarHBondContact O-N 3.37Å
243	T	96.9	Very high	96.2	Very high	12 Å²	12	43.3 Å²	43.3	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	150.9	166.1	61.6	0	0	0	0	111.1	R227 N228 N252 L253	R227-T243 WeakPolarHBondContact CB-OG1 3.43Å; R227-T243 WeakPolarHBondContact O-CG2 3.24Å; N228-T243 HydrophobicContact CB-CG2 4.36Å; T243-N252 WeakPolarHBondContact CA-O 3.41Å; T243-L253 HydrophobicContact CG2-CD1 4.02Å
244	G	94.7	Very high	96.3	Very high	4 Å²	4	41.5 Å²	41.5	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.5	168.5	0	0	0	0	0	111.8	N252	G244-N252 PolarHBondContact N-O 2.75Å; G244-N252 WeakPolarHBondContact O-CA 3.08Å; G244-N252 PolarHBondContact O-N 3.23Å
245	H	93.7	Very high	96.4	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.361	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	130.1	176.2	171.6	-95.4	0	0	0	110.1	D247 G250 Y251	H245-D247 IonicContact CE1-OD1 3.41Å; H245-G250 WeakPolarHBondContact CA-O 3.4Å; H245-Y251 HydrophobicContact CB-CD1 4.02Å; H245-Y251 HydrophobicContact CB-CE1 4.22Å; H245-Y251 AromaticContact CD2-CD1 3.29Å; H245-Y251 WeakPolarHBondContact CD2-CD1 3.44Å; H245-Y251 AromaticContact CD2-CD2 3.91Å; H245-Y251 AromaticContact CD2-CE1 3.1Å; H245-Y251 WeakPolarHBondContact CD2-CE1 3.39Å; H245-Y251 AromaticContact CD2-CE2 3.75Å; H245-Y251 AromaticContact CD2-CG 3.71Å; H245-Y251 AromaticContact CD2-CZ 3.35Å; H245-Y251 AromaticContact CG-CD1 3.83Å; H245-Y251 AromaticContact CG-CE1 3.63Å; H245-Y251 AromaticContact NE2-CE1 3.55Å; H245-Y251 AromaticContact NE2-CE2 3.75Å; H245-Y251 AromaticContact NE2-CZ 3.32Å; H245-Y251 VanDerWaalsContact NE2-CZ 3.32Å; H245-Y251 PolarHBondContact NE2-OH 3.21Å
246	T	90	Very high	96.4	Very high	29 Å²	29	30.1 Å²	30.1	18%	0.178	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.9	158.6	60.3	0	0	0	0	106.9	A72 K248 A249 G250	A72-T246 HydrophobicContact CB-CG2 3.92Å; T246-K248 PolarHBondContact O-N 3.46Å; T246-A249 PolarHBondContact O-N 3.34Å; T246-A249 VanDerWaalsContact OG1-CB 3.23Å; T246-A249 WeakPolarHBondContact OG1-CB 3.36Å; T246-A249 PolarHBondContact OG1-N 3.24Å; T246-G250 PolarHBondContact O-N 3.42Å
247	D	87.4	Confident	96.4	Very high	159 Å²	159	29.1 Å²	29.1	85%	0.85	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.7	177.5	-65.1	-16.3	0	0	0	111.5	H245	H245-D247 IonicContact CE1-OD1 3.41Å
248	K	90.5	Very high	96.4	Very high	122 Å²	122	25.6 Å²	25.6	53%	0.53	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-42.7	175.8	-176.6	173	179.1	167.9	0	113.3	D185 T246	D185-K248 IonicContact OD1-NZ 3.03Å; T246-K248 PolarHBondContact O-N 3.46Å
249	A	94.8	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.1	-175.7	0	0	0	0	0	113.3	R69 D70 A72 T246 G270	R69-A249 PolarHBondContact NH2-O 2.93Å; D70-A249 HydrophobicContact CB-CB 3.86Å; D70-A249 WeakPolarHBondContact O-CB 3.27Å; A72-A249 HydrophobicContact CB-CB 3.82Å; T246-A249 PolarHBondContact O-N 3.34Å; T246-A249 VanDerWaalsContact OG1-CB 3.23Å; T246-A249 WeakPolarHBondContact OG1-CB 3.36Å; T246-A249 PolarHBondContact OG1-N 3.24Å; A249-G270 WeakPolarHBondContact O-CA 3.3Å
250	G	95.9	Very high	96.3	Very high	20 Å²	20	32.4 Å²	32.4	21%	0.206	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-160.8	-161.6	0	0	0	0	0	111.3	H245 T246	H245-G250 WeakPolarHBondContact CA-O 3.4Å; T246-G250 PolarHBondContact O-N 3.42Å
251	Y	97.2	Very high	96	Very high	50 Å²	50	40.3 Å²	40.3	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.9	179.8	-65.6	-85.5	0	0	0	111.8	H245 G271 T273 F274	H245-Y251 HydrophobicContact CB-CD1 4.02Å; H245-Y251 HydrophobicContact CB-CE1 4.22Å; H245-Y251 AromaticContact CD2-CD1 3.29Å; H245-Y251 WeakPolarHBondContact CD2-CD1 3.44Å; H245-Y251 AromaticContact CD2-CD2 3.91Å; H245-Y251 AromaticContact CD2-CE1 3.1Å; H245-Y251 WeakPolarHBondContact CD2-CE1 3.39Å; H245-Y251 AromaticContact CD2-CE2 3.75Å; H245-Y251 AromaticContact CD2-CG 3.71Å; H245-Y251 AromaticContact CD2-CZ 3.35Å; H245-Y251 AromaticContact CG-CD1 3.83Å; H245-Y251 AromaticContact CG-CE1 3.63Å; H245-Y251 AromaticContact NE2-CE1 3.55Å; H245-Y251 AromaticContact NE2-CE2 3.75Å; H245-Y251 AromaticContact NE2-CZ 3.32Å; H245-Y251 VanDerWaalsContact NE2-CZ 3.32Å; H245-Y251 PolarHBondContact NE2-OH 3.21Å; Y251-G271 WeakPolarHBondContact CD2-O 3.34Å; Y251-G271 PolarHBondContact N-O 3.16Å; Y251-G271 WeakPolarHBondContact O-CA 3.25Å; Y251-G271 PolarHBondContact O-N 2.66Å; Y251-T273 WeakPolarHBondContact CD2-O 3.47Å; Y251-F274 HydrophobicContact CD1-CB 4.24Å; Y251-F274 HydrophobicContact CD1-CD2 4.31Å; Y251-F274 VanDerWaalsContact CE1-CA 3.43Å; Y251-F274 HydrophobicContact CE1-CB 3.59Å; Y251-F274 AromaticContact CE1-CD2 3.65Å; Y251-F274 HydrophobicContact CE1-CD2 3.65Å; Y251-F274 HydrophobicContact CE1-CG 4.06Å; Y251-F274 HydrophobicContact CE2-CB 4.45Å; Y251-F274 VanDerWaalsContact CE2-N 3.34Å
252	N	98	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.5	179.6	-63.7	-14.6	0	0	0	111.1	D70 P71 L74 T243 G244 V268 M269 G270	D70-N252 PolarHBondContact O-ND2 3.32Å; D70-N252 VanDerWaalsContact O-ND2 3.1Å; P71-N252 PolarHBondContact O-ND2 2.91Å; P71-N252 VanDerWaalsContact O-ND2 3.16Å; L74-N252 HydrophobicContact CD1-CB 3.71Å; L74-N252 HydrophobicContact CD2-CB 4.37Å; L74-N252 HydrophobicContact CG-CB 3.86Å; T243-N252 WeakPolarHBondContact CA-O 3.41Å; G244-N252 PolarHBondContact N-O 2.75Å; G244-N252 WeakPolarHBondContact O-CA 3.08Å; G244-N252 PolarHBondContact O-N 3.23Å; N252-V268 CarbonylContact C-O 3.57Å; N252-V268 WeakPolarHBondContact CA-O 3.5Å; N252-M269 WeakPolarHBondContact OD1-CA 3.3Å; N252-M269 WeakPolarHBondContact OD1-CB 3.31Å; N252-G270 PolarHBondContact OD1-N 3.19Å
253	L	98.5	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	124.6	171.3	173.9	57	0	0	0	109.9	L230 K242 T243 A255 A267 V268 R277 E278 S281	L230-L253 HydrophobicContact CD1-CD2 3.77Å; L230-L253 HydrophobicContact CG-CD2 4.4Å; K242-L253 WeakPolarHBondContact O-CA 3.32Å; T243-L253 HydrophobicContact CG2-CD1 4.02Å; L253-A255 HydrophobicContact CD1-CB 4.23Å; L253-A255 HydrophobicContact CD2-CB 4.34Å; L253-A255 HydrophobicContact CG-CB 4.11Å; L253-A267 WeakPolarHBondContact O-CA 3.39Å; L253-V268 PolarHBondContact N-O 3.45Å; L253-V268 PolarHBondContact O-N 2.61Å; L253-R277 HydrophobicContact CB-CB 4.25Å; L253-R277 HydrophobicContact CB-CG 4.25Å; L253-R277 HydrophobicContact CD2-CG 4.44Å; L253-R277 WeakPolarHBondContact CD2-O 3.29Å; L253-E278 HydrophobicContact CD2-CG 4.11Å; L253-S281 WeakPolarHBondContact CD2-OG 3.16Å
254	V	98.9	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.9	156.7	-177.7	0	0	0	0	107.7	L74 M77 M194 I241 K242 I265 S266 A267	L74-V254 HydrophobicContact CD1-CG2 3.84Å; L74-V254 HydrophobicContact CD2-CG2 4.11Å; M77-V254 HydrophobicContact CE-CB 4.03Å; M77-V254 HydrophobicContact CE-CG1 3.86Å; M77-V254 HydrophobicContact CE-CG2 4.09Å; M77-V254 HydrophobicContact SD-CB 3.76Å; M77-V254 HydrophobicContact SD-CG1 4.28Å; M77-V254 HydrophobicContact SD-CG2 3.67Å; M194-V254 HydrophobicContact CB-CG2 3.89Å; I241-V254 CarbonylContact C-O 3.59Å; I241-V254 WeakPolarHBondContact CA-O 3.18Å; I241-V254 HydrophobicContact CB-CB 4.5Å; I241-V254 HydrophobicContact CB-CG1 4.34Å; I241-V254 HydrophobicContact CD1-CG1 3.99Å; I241-V254 HydrophobicContact CG1-CG1 4.13Å; I241-V254 PolarHBondContact N-O 3.26Å; K242-V254 PolarHBondContact N-O 3Å; K242-V254 PolarHBondContact O-N 3.37Å; V254-I265 HydrophobicContact CG1-CG2 4.04Å; V254-S266 CarbonylContact C-O 3.6Å; V254-S266 VanDerWaalsContact CA-O 3.3Å; V254-S266 WeakPolarHBondContact CA-O 3.33Å; V254-A267 HydrophobicContact CG2-CB 3.88Å
255	A	98.8	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.5	178.4	0	0	0	0	0	110.8	L230 G240 L253 I265 S266 L285	L230-A255 HydrophobicContact CD1-CB 3.98Å; G240-A255 CarbonylContact O-C 3.57Å; G240-A255 VanDerWaalsContact O-CA 3.24Å; G240-A255 WeakPolarHBondContact O-CA 3.22Å; L253-A255 HydrophobicContact CD1-CB 4.23Å; L253-A255 HydrophobicContact CD2-CB 4.34Å; L253-A255 HydrophobicContact CG-CB 4.11Å; A255-I265 CarbonylContact O-C 3.56Å; A255-I265 WeakPolarHBondContact O-CA 3.39Å; A255-S266 PolarHBondContact N-O 3Å; A255-S266 PolarHBondContact O-N 2.94Å; A255-L285 HydrophobicContact CB-CD1 4.05Å
256	S	98.9	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.3	167.5	-171.1	0	0	0	0	110.1	Y209 V238 D239 G240 R263 L264	Y209-S256 WeakPolarHBondContact OH-CB 3.49Å; V238-S256 WeakPolarHBondContact CA-O 3.23Å; V238-S256 WeakPolarHBondContact CG1-O 3.18Å; D239-S256 PolarHBondContact N-O 3.03Å; D239-S256 VanDerWaalsContact N-O 3.14Å; G240-S256 PolarHBondContact O-N 3.01Å; S256-R263 WeakPolarHBondContact OG-CG 3.43Å; S256-R263 PolarHBondContact OG-NH1 3.33Å; S256-L264 VanDerWaalsContact CA-O 3.22Å; S256-L264 WeakPolarHBondContact CA-O 3.32Å; S256-L264 WeakPolarHBondContact CB-O 3.21Å; S256-L264 PolarHBondContact OG-O 2.83Å
257	A	98.9	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.9	178	0	0	0	0	0	110.4	N237 V238 R263 L264 L285 F289	N237-A257 CarbonylContact O-C 3.39Å; N237-A257 WeakPolarHBondContact O-CA 3.33Å; V238-A257 HydrophobicContact CG2-CB 3.9Å; A257-R263 WeakPolarHBondContact O-CA 3.37Å; A257-L264 PolarHBondContact N-O 3.13Å; A257-L264 VanDerWaalsContact N-O 3.13Å; A257-L264 PolarHBondContact O-N 2.94Å; A257-L285 HydrophobicContact CB-CD1 4.15Å; A257-L285 HydrophobicContact CB-CD2 4.33Å; A257-F289 HydrophobicContact CB-CE2 3.88Å; A257-F289 HydrophobicContact CB-CZ 4.25Å; A257-F289 WeakPolarHBondContact O-CZ 3.48Å
258	T	98.9	Very high	97.5	Very high	27 Å²	27	28.9 Å²	28.9	17%	0.166	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.8	178.1	65.6	0	0	0	0	112.6	N237 M262 R263	N237-T258 WeakPolarHBondContact CB-O 3.32Å; N237-T258 PolarHBondContact ND2-OG1 3.03Å; N237-T258 PolarHBondContact O-N 2.71Å; T258-M262 CarbonylContact C-O 3.58Å; T258-M262 VanDerWaalsContact CA-O 3.24Å; T258-M262 WeakPolarHBondContact CA-O 3.26Å; T258-R263 HydrophobicContact CG2-CB 4.15Å; T258-R263 HydrophobicContact CG2-CG 4.25Å
259	E	98.4	Very high	97.9	Very high	96 Å²	96	23.1 Å²	23.1	45%	0.449	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	108.1	164.1	-172.7	-180	97.8	0	0	108.1	Q261 M262 F289 R331	E259-Q261 PolarHBondContact O-N 2.74Å; E259-M262 PolarHBondContact N-O 3.21Å; E259-M262 PolarHBondContact O-N 2.61Å; E259-F289 HydrophobicContact CB-CD1 3.57Å; E259-F289 HydrophobicContact CB-CE1 3.62Å; E259-F289 HydrophobicContact CB-CG 4.13Å; E259-F289 HydrophobicContact CB-CZ 4.21Å; E259-R331 IonicContact OE1-CZ 3.48Å; E259-R331 IonicContact OE1-NH1 3.13Å; E259-R331 IonicContact OE1-NH2 2.61Å; E259-R331 PolarHBondContact OE1-NH2 3.2Å
260	G	95.1	Very high	98	Very high	80 Å²	80	23.3 Å²	23.3	83%	0.825	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	-120.7	-172.1	0	0	0	0	0	112
261	Q	93.1	Very high	98	Very high	166 Å²	166	22.4 Å²	22.4	78%	0.776	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.2	178	-61.7	-175.8	14.5	0	0	113.5	N55 E259	N55-Q261 PolarHBondContact ND2-O 2.96Å; E259-Q261 PolarHBondContact O-N 2.74Å
262	M	98.3	Very high	97.7	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.044	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.8	-177.5	-170.5	171.1	179.4	0	0	110	T258 E259 L264 F289 F292 T328	T258-M262 CarbonylContact C-O 3.58Å; T258-M262 VanDerWaalsContact CA-O 3.24Å; T258-M262 WeakPolarHBondContact CA-O 3.26Å; E259-M262 PolarHBondContact N-O 3.21Å; E259-M262 PolarHBondContact O-N 2.61Å; M262-L264 HydrophobicContact CE-CD1 4.27Å; M262-L264 HydrophobicContact CE-CD2 3.63Å; M262-L264 HydrophobicContact CE-CG 4.08Å; M262-F289 HydrophobicContact CB-CE1 4.16Å; M262-F289 HydrophobicContact CG-CD1 4.26Å; M262-F289 HydrophobicContact CG-CE1 3.96Å; M262-F289 HydrophobicContact SD-CD1 4.06Å; M262-F289 HydrophobicContact SD-CE1 4.35Å; M262-F292 HydrophobicContact CE-CB 3.9Å; M262-T328 HydrophobicContact CE-CG2 4.25Å
263	R	98.9	Very high	97.2	Very high	37 Å²	37	31 Å²	31	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.8	174	173.2	178.9	-70.2	-80.2	4	109.2	Y54 D239 S256 A257 T258	Y54-R263 WeakPolarHBondContact CB-O 3.41Å; Y54-R263 HydrophobicContact CD1-CB 4.27Å; Y54-R263 HydrophobicContact CD1-CG 4.44Å; Y54-R263 HydrophobicContact CG-CB 4.36Å; Y54-R263 HydrophobicContact CG-CG 4.13Å; Y54-R263 PolarHBondContact N-O 3.22Å; D239-R263 IonicContact OD1-CZ 3.18Å; D239-R263 IonicContact OD1-NH1 3.29Å; D239-R263 PolarHBondContact OD1-NH1 2.73Å; D239-R263 IonicContact OD1-NH2 3.12Å; D239-R263 IonicContact OD2-CZ 2.7Å; D239-R263 IonicContact OD2-NH1 3.16Å; D239-R263 PolarHBondContact OD2-NH1 3.16Å; D239-R263 IonicContact OD2-NH2 3.89Å; D239-R263 PolarHBondContact OD2-NH2 3.05Å; S256-R263 WeakPolarHBondContact OG-CG 3.43Å; S256-R263 PolarHBondContact OG-NH1 3.33Å; A257-R263 WeakPolarHBondContact O-CA 3.37Å; T258-R263 HydrophobicContact CG2-CB 4.15Å; T258-R263 HydrophobicContact CG2-CG 4.25Å
264	L	98.9	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	151.4	175.3	-66.7	-178.9	0	0	0	110.6	L51 I52 D53 L60 S256 A257 M262 L285 F289	L51-L264 HydrophobicContact CD1-CB 4.12Å; L51-L264 HydrophobicContact CD1-CD1 4.34Å; I52-L264 WeakPolarHBondContact O-CA 3.17Å; I52-L264 WeakPolarHBondContact O-CD2 3.43Å; D53-L264 HydrophobicContact CB-CD2 4.1Å; L60-L264 HydrophobicContact CD2-CD2 3.77Å; S256-L264 VanDerWaalsContact CA-O 3.22Å; S256-L264 WeakPolarHBondContact CA-O 3.32Å; S256-L264 WeakPolarHBondContact CB-O 3.21Å; S256-L264 PolarHBondContact OG-O 2.83Å; A257-L264 PolarHBondContact N-O 3.13Å; A257-L264 VanDerWaalsContact N-O 3.13Å; A257-L264 PolarHBondContact O-N 2.94Å; M262-L264 HydrophobicContact CE-CD1 4.27Å; M262-L264 HydrophobicContact CE-CD2 3.63Å; M262-L264 HydrophobicContact CE-CG 4.08Å; L264-L285 HydrophobicContact CB-CD2 3.75Å; L264-F289 HydrophobicContact CB-CE1 4.48Å; L264-F289 HydrophobicContact CB-CE2 4.44Å; L264-F289 HydrophobicContact CB-CZ 4.05Å; L264-F289 HydrophobicContact CD1-CD1 3.93Å; L264-F289 HydrophobicContact CD1-CD2 4.06Å; L264-F289 HydrophobicContact CD1-CE1 3.94Å; L264-F289 HydrophobicContact CD1-CE2 4.07Å; L264-F289 HydrophobicContact CD1-CG 3.98Å; L264-F289 HydrophobicContact CD1-CZ 4.01Å; L264-F289 HydrophobicContact CG-CD1 4.29Å; L264-F289 HydrophobicContact CG-CE1 3.84Å; L264-F289 HydrophobicContact CG-CE2 4.41Å; L264-F289 HydrophobicContact CG-CZ 3.9Å
265	I	99	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.2	173.1	-58.7	164.2	0	0	0	107.5	L51 I52 Y54 A195 Q199 I202 V254 A255	L51-I265 WeakPolarHBondContact CA-O 3.32Å; I52-I265 HydrophobicContact CD1-CB 4.33Å; I52-I265 HydrophobicContact CD1-CD1 4.29Å; I52-I265 HydrophobicContact CG1-CB 3.8Å; I52-I265 HydrophobicContact CG1-CD1 4.45Å; I52-I265 PolarHBondContact N-O 3.14Å; I52-I265 PolarHBondContact O-N 2.81Å; Y54-I265 HydrophobicContact CD2-CD1 4.1Å; A195-I265 HydrophobicContact CB-CG2 4.15Å; Q199-I265 HydrophobicContact CB-CD1 3.76Å; Q199-I265 HydrophobicContact CG-CD1 4.29Å; I202-I265 HydrophobicContact CD1-CD1 3.78Å; I202-I265 HydrophobicContact CD1-CG1 4.08Å; V254-I265 HydrophobicContact CG1-CG2 4.04Å; A255-I265 CarbonylContact O-C 3.56Å; A255-I265 WeakPolarHBondContact O-CA 3.39Å
266	S	98.9	Very high	94.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.7	171.5	62.1	0	0	0	0	109.8	I50 V254 A255	I50-S266 CarbonylContact O-C 3.6Å; I50-S266 VanDerWaalsContact O-CA 3.29Å; I50-S266 WeakPolarHBondContact O-CA 3.3Å; V254-S266 CarbonylContact C-O 3.6Å; V254-S266 VanDerWaalsContact CA-O 3.3Å; V254-S266 WeakPolarHBondContact CA-O 3.33Å; A255-S266 PolarHBondContact N-O 3Å; A255-S266 PolarHBondContact O-N 2.94Å
267	A	98.8	Very high	94.3	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	-117.7	120.2	164	0	0	0	0	0	108.6	Y49 I50 A191 M194 A195 L253 V254	Y49-A267 CarbonylContact C-O 3.54Å; Y49-A267 WeakPolarHBondContact CA-O 3.46Å; I50-A267 HydrophobicContact CG2-CB 3.96Å; I50-A267 PolarHBondContact N-O 2.98Å; I50-A267 PolarHBondContact O-N 2.91Å; A191-A267 HydrophobicContact CB-CB 4.36Å; A191-A267 WeakPolarHBondContact O-CB 3.23Å; M194-A267 HydrophobicContact CB-CB 4.25Å; A195-A267 HydrophobicContact CB-CB 4.19Å; L253-A267 WeakPolarHBondContact O-CA 3.39Å; V254-A267 HydrophobicContact CG2-CB 3.88Å
268	V	98.6	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.3	176.1	178.8	0	0	0	0	107.2	A46 N252 L253 S281 L284	A46-V268 HydrophobicContact CB-CG1 3.41Å; A46-V268 VanDerWaalsContact CB-CG1 3.41Å; N252-V268 CarbonylContact C-O 3.57Å; N252-V268 WeakPolarHBondContact CA-O 3.5Å; L253-V268 PolarHBondContact N-O 3.45Å; L253-V268 PolarHBondContact O-N 2.61Å; V268-S281 VanDerWaalsContact CG2-OG 3.32Å; V268-S281 WeakPolarHBondContact CG2-OG 3.49Å; V268-L284 HydrophobicContact CG2-CD1 3.81Å
269	M	98.4	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.9	-178.5	-57.1	179.8	69.7	0	0	111.3	E47 S48 R69 L74 S190 A191 M194 N252	E47-M269 PolarHBondContact N-O 2.85Å; S48-M269 PolarHBondContact N-O 3.49Å; S48-M269 VanDerWaalsContact N-O 3.11Å; S48-M269 PolarHBondContact O-N 3.01Å; R69-M269 HydrophobicContact CB-CE 3.88Å; L74-M269 HydrophobicContact CD1-CG 4.31Å; S190-M269 VanDerWaalsContact C-SD 3.6Å; A191-M269 HydrophobicContact CB-SD 4.28Å; M194-M269 HydrophobicContact CG-SD 4.26Å; N252-M269 WeakPolarHBondContact OD1-CA 3.3Å; N252-M269 WeakPolarHBondContact OD1-CB 3.31Å
270	G	97.5	Very high	94	Very high	4 Å²	4	44.9 Å²	44.9	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	36.7	-175.5	0	0	0	0	0	113.3	E47 A249 N252	E47-G270 PolarHBondContact N-O 3.03Å; A249-G270 WeakPolarHBondContact O-CA 3.3Å; N252-G270 PolarHBondContact OD1-N 3.19Å
271	G	95.5	Very high	94.1	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	141.4	168.4	0	0	0	0	0	110.4	Y251	Y251-G271 WeakPolarHBondContact CD2-O 3.34Å; Y251-G271 PolarHBondContact N-O 3.16Å; Y251-G271 WeakPolarHBondContact O-CA 3.25Å; Y251-G271 PolarHBondContact O-N 2.66Å
272	R	90.5	Very high	94.4	Very high	160 Å²	160	36 Å²	36	60%	0.604	17%	0.172	S	C	*	.	S	Bend	trans	-81.1	-20.7	-172.9	-61.8	-177.3	-177.6	141.3	9.5	114.2	D45	D45-R272 WeakPolarHBondContact OD1-CD 3.41Å; D45-R272 IonicContact OD1-CZ 2.67Å; D45-R272 IonicContact OD1-NE 3.51Å; D45-R272 PolarHBondContact OD1-NE 2.95Å; D45-R272 IonicContact OD1-NH1 3.21Å; D45-R272 PolarHBondContact OD1-NH1 2.83Å; D45-R272 IonicContact OD1-NH2 3Å
273	T	88.2	Confident	94.3	Very high	71 Å²	71	39.2 Å²	39.2	44%	0.436	19%	0.186	S	C	.	.	S	Bend	trans	-136	152.7	-176.8	70.8	0	0	0	0	112.4	Y251 K275 G276 R277	Y251-T273 WeakPolarHBondContact CD2-O 3.47Å; T273-K275 PolarHBondContact O-N 2.84Å; T273-G276 PolarHBondContact O-N 2.86Å; T273-G276 VanDerWaalsContact O-N 3.11Å; T273-G276 VanDerWaalsContact OG1-CA 3.28Å; T273-G276 WeakPolarHBondContact OG1-CA 3.5Å; T273-G276 PolarHBondContact OG1-N 2.84Å; T273-R277 PolarHBondContact O-N 2.67Å
274	F	81	Confident	94.3	Very high	115 Å²	115	37.4 Å²	37.4	50%	0.504	18%	0.179	S	C	.	.	H	α-helix	trans	-55.3	-50.8	178.3	179.5	-83.4	0	0	0	112	Y251 G276 R277	Y251-F274 HydrophobicContact CD1-CB 4.24Å; Y251-F274 HydrophobicContact CD1-CD2 4.31Å; Y251-F274 VanDerWaalsContact CE1-CA 3.43Å; Y251-F274 HydrophobicContact CE1-CB 3.59Å; Y251-F274 AromaticContact CE1-CD2 3.65Å; Y251-F274 HydrophobicContact CE1-CD2 3.65Å; Y251-F274 HydrophobicContact CE1-CG 4.06Å; Y251-F274 HydrophobicContact CE2-CB 4.45Å; Y251-F274 VanDerWaalsContact CE2-N 3.34Å; F274-G276 VanDerWaalsContact C-N 3.31Å; F274-R277 PolarHBondContact O-NH1 3.05Å
275	K	80.9	Confident	94.3	Very high	170 Å²	170	37.4 Å²	37.4	74%	0.739	18%	0.179	S	C	*	.	H	α-helix	trans	-71.6	-28.2	178.2	-71.1	-163.9	174.1	-165.3	0	112.4	T273 R277 E278 A279	T273-K275 PolarHBondContact O-N 2.84Å; K275-R277 PolarHBondContact O-N 2.85Å; K275-E278 PolarHBondContact O-N 2.85Å; K275-A279 PolarHBondContact O-N 3.42Å; K275-A279 VanDerWaalsContact O-N 3.15Å
276	G	86.1	Confident	94.3	Very high	10 Å²	10	39.4 Å²	39.4	10%	0.103	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-44.7	179.7	0	0	0	0	0	112.6	T273 F274 E278 A279 E280	T273-G276 PolarHBondContact O-N 2.86Å; T273-G276 VanDerWaalsContact O-N 3.11Å; T273-G276 VanDerWaalsContact OG1-CA 3.28Å; T273-G276 WeakPolarHBondContact OG1-CA 3.5Å; T273-G276 PolarHBondContact OG1-N 2.84Å; F274-G276 VanDerWaalsContact C-N 3.31Å; G276-E278 PolarHBondContact O-N 2.9Å; G276-E278 VanDerWaalsContact O-N 3.09Å; G276-A279 PolarHBondContact O-N 3.28Å; G276-E280 VanDerWaalsContact O-CB 3.26Å; G276-E280 WeakPolarHBondContact O-CB 3.17Å; G276-E280 WeakPolarHBondContact O-CG 3.34Å; G276-E280 PolarHBondContact O-N 3.06Å
277	R	86.4	Confident	94.3	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.038	19%	0.192	C	C	.	.	H	α-helix	trans	-54.7	-39.2	-177	81.1	-176.3	176.6	-92.6	-8.6	113.2	L253 T273 F274 K275 S281	L253-R277 HydrophobicContact CB-CB 4.25Å; L253-R277 HydrophobicContact CB-CG 4.25Å; L253-R277 HydrophobicContact CD2-CG 4.44Å; L253-R277 WeakPolarHBondContact CD2-O 3.29Å; T273-R277 PolarHBondContact O-N 2.67Å; F274-R277 PolarHBondContact O-NH1 3.05Å; K275-R277 PolarHBondContact O-N 2.85Å; R277-S281 WeakPolarHBondContact O-CB 3.31Å; R277-S281 PolarHBondContact O-N 3.3Å; R277-S281 PolarHBondContact O-OG 2.97Å
278	E	94.9	Very high	94.3	Very high	37 Å²	37	39.6 Å²	39.6	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-78.8	-45.7	-179.3	-69.5	168.9	-171.1	0	0	110.7	G229 L230 L253 K275 G276 E280 S281 K282	G229-E278 PolarHBondContact N-OE1 2.94Å; L230-E278 HydrophobicContact CD2-CB 4.09Å; L230-E278 HydrophobicContact CG-CB 4.11Å; L230-E278 HydrophobicContact CG-CG 4.23Å; L253-E278 HydrophobicContact CD2-CG 4.11Å; K275-E278 PolarHBondContact O-N 2.85Å; G276-E278 PolarHBondContact O-N 2.9Å; G276-E278 VanDerWaalsContact O-N 3.09Å; E278-E280 PolarHBondContact O-N 2.86Å; E278-S281 PolarHBondContact O-N 3.04Å; E278-K282 VanDerWaalsContact O-CB 3.3Å; E278-K282 WeakPolarHBondContact O-CB 3.08Å; E278-K282 PolarHBondContact O-N 2.86Å
279	A	96.8	Very high	94.2	Very high	51 Å²	51	39.9 Å²	39.9	42%	0.421	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-42.7	178.1	0	0	0	0	0	112.6	K275 G276 K282 K283	K275-A279 PolarHBondContact O-N 3.42Å; K275-A279 VanDerWaalsContact O-N 3.15Å; G276-A279 PolarHBondContact O-N 3.28Å; A279-K282 PolarHBondContact O-N 3.36Å; A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.07Å
280	E	97.6	Very high	94.2	Very high	21 Å²	21	46.6 Å²	46.6	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-70.3	-40.9	-179.9	-65.2	-43.4	104.9	0	0	111.8	I44 D45 G276 E278 K283 L284	I44-E280 VanDerWaalsContact CA-OE2 3.3Å; I44-E280 WeakPolarHBondContact CA-OE2 3.39Å; I44-E280 HydrophobicContact CG2-CB 4.12Å; I44-E280 HydrophobicContact CG2-CG 4.48Å; D45-E280 HydrophobicContact CB-CG 4.29Å; D45-E280 PolarHBondContact N-OE2 2.89Å; G276-E280 VanDerWaalsContact O-CB 3.26Å; G276-E280 WeakPolarHBondContact O-CB 3.17Å; G276-E280 WeakPolarHBondContact O-CG 3.34Å; G276-E280 PolarHBondContact O-N 3.06Å; E278-E280 PolarHBondContact O-N 2.86Å; E280-K283 VanDerWaalsContact CD-NZ 3.27Å; E280-K283 WeakPolarHBondContact O-CB 3.38Å; E280-K283 PolarHBondContact O-N 3.22Å; E280-K283 IonicContact OE1-NZ 2.76Å; E280-K283 PolarHBondContact OE1-NZ 3.23Å; E280-K283 IonicContact OE2-NZ 3.95Å; E280-K283 PolarHBondContact OE2-NZ 3.43Å; E280-L284 PolarHBondContact O-N 3.19Å
281	S	97.9	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-41.5	173.7	-58.7	0	0	0	0	111.5	L253 V268 R277 E278 K283 L284 L285	L253-S281 WeakPolarHBondContact CD2-OG 3.16Å; V268-S281 VanDerWaalsContact CG2-OG 3.32Å; V268-S281 WeakPolarHBondContact CG2-OG 3.49Å; R277-S281 WeakPolarHBondContact O-CB 3.31Å; R277-S281 PolarHBondContact O-N 3.3Å; R277-S281 PolarHBondContact O-OG 2.97Å; E278-S281 PolarHBondContact O-N 3.04Å; S281-K283 VanDerWaalsContact C-N 3.3Å; S281-K283 PolarHBondContact O-N 2.95Å; S281-L284 PolarHBondContact O-N 3.18Å; S281-L285 VanDerWaalsContact O-CG 3.32Å; S281-L285 WeakPolarHBondContact O-CG 3.42Å; S281-L285 PolarHBondContact O-N 2.97Å
282	K	98.3	Very high	94.3	Very high	59 Å²	59	50.2 Å²	50.2	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-42.9	172.4	177.2	174.8	-173	162	0	111.5	L230 D233 S235 L236 E278 A279 L285 T286	L230-K282 HydrophobicContact CD2-CB 4.11Å; D233-K282 IonicContact OD1-NZ 3.95Å; D233-K282 PolarHBondContact OD1-NZ 3.35Å; D233-K282 VanDerWaalsContact OD2-CD 3.25Å; D233-K282 WeakPolarHBondContact OD2-CD 3.41Å; D233-K282 VanDerWaalsContact OD2-CE 3.31Å; D233-K282 WeakPolarHBondContact OD2-CE 3.47Å; D233-K282 IonicContact OD2-NZ 3.8Å; D233-K282 PolarHBondContact OD2-NZ 3.34Å; S235-K282 WeakPolarHBondContact OG-CE 3.36Å; S235-K282 PolarHBondContact OG-NZ 3.02Å; L236-K282 HydrophobicContact CD1-CB 4.44Å; L236-K282 HydrophobicContact CD1-CG 3.94Å; E278-K282 VanDerWaalsContact O-CB 3.3Å; E278-K282 WeakPolarHBondContact O-CB 3.08Å; E278-K282 PolarHBondContact O-N 2.86Å; A279-K282 PolarHBondContact O-N 3.36Å; K282-L285 PolarHBondContact O-N 3.23Å; K282-T286 HydrophobicContact CG-CG2 4.13Å; K282-T286 WeakPolarHBondContact O-CB 3.43Å; K282-T286 VanDerWaalsContact O-CG2 3.3Å; K282-T286 WeakPolarHBondContact O-CG2 3.41Å; K282-T286 PolarHBondContact O-N 3.27Å; K282-T286 PolarHBondContact O-OG1 2.85Å
283	K	97.9	Very high	94.6	Very high	76 Å²	76	44.4 Å²	44.4	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-45.5	178.2	-164.4	-171.7	-61.9	155.4	0	111.5	P42 Q43 I44 A279 E280 S281 T286 W287	P42-K283 HydrophobicContact CB-CD 3.48Å; P42-K283 VanDerWaalsContact CB-CD 3.48Å; P42-K283 HydrophobicContact CB-CG 3.8Å; P42-K283 HydrophobicContact CG-CD 4.38Å; P42-K283 HydrophobicContact CG-CG 4.17Å; Q43-K283 PolarHBondContact O-NZ 2.91Å; I44-K283 HydrophobicContact CD1-CB 4.38Å; I44-K283 HydrophobicContact CD1-CD 4.04Å; A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.07Å; E280-K283 VanDerWaalsContact CD-NZ 3.27Å; E280-K283 WeakPolarHBondContact O-CB 3.38Å; E280-K283 PolarHBondContact O-N 3.22Å; E280-K283 IonicContact OE1-NZ 2.76Å; E280-K283 PolarHBondContact OE1-NZ 3.23Å; E280-K283 IonicContact OE2-NZ 3.95Å; E280-K283 PolarHBondContact OE2-NZ 3.43Å; S281-K283 VanDerWaalsContact C-N 3.3Å; S281-K283 PolarHBondContact O-N 2.95Å; K283-T286 PolarHBondContact O-OG1 3.06Å; K283-T286 VanDerWaalsContact O-OG1 3.1Å; K283-W287 WeakPolarHBondContact O-CB 3.41Å; K283-W287 PolarHBondContact O-N 3.28Å
284	L	98.3	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-51	174.7	-76.7	174.6	0	0	0	112.2	I44 Y49 L51 A61 V268 E280 S281 W287 G288	I44-L284 HydrophobicContact CD1-CD1 4.35Å; I44-L284 HydrophobicContact CD1-CD2 3.88Å; I44-L284 HydrophobicContact CD1-CG 3.66Å; I44-L284 HydrophobicContact CG1-CD1 4.28Å; I44-L284 HydrophobicContact CG1-CD2 3.85Å; I44-L284 HydrophobicContact CG1-CG 3.96Å; Y49-L284 HydrophobicContact CD2-CD1 3.74Å; Y49-L284 HydrophobicContact CD2-CD2 3.96Å; Y49-L284 HydrophobicContact CD2-CG 4.5Å; Y49-L284 HydrophobicContact CE2-CD2 3.98Å; Y49-L284 HydrophobicContact CG-CD1 4Å; L51-L284 HydrophobicContact CD1-CB 4.4Å; L51-L284 HydrophobicContact CD2-CB 4.41Å; L51-L284 VanDerWaalsContact CD2-O 3.23Å; L51-L284 WeakPolarHBondContact CD2-O 3.3Å; A61-L284 HydrophobicContact CB-CD2 4.45Å; V268-L284 HydrophobicContact CG2-CD1 3.81Å; E280-L284 PolarHBondContact O-N 3.19Å; S281-L284 PolarHBondContact O-N 3.18Å; L284-W287 PolarHBondContact O-N 2.97Å; L284-G288 PolarHBondContact O-N 3.07Å
285	L	98.8	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-48.9	-177.7	-69.3	168	0	0	0	111.6	L51 L236 A255 A257 L264 S281 K282 W287 G288 F289	L51-L285 HydrophobicContact CD1-CD2 3.99Å; L236-L285 HydrophobicContact CD1-CB 4.01Å; L236-L285 HydrophobicContact CD1-CD1 4.22Å; A255-L285 HydrophobicContact CB-CD1 4.05Å; A257-L285 HydrophobicContact CB-CD1 4.15Å; A257-L285 HydrophobicContact CB-CD2 4.33Å; L264-L285 HydrophobicContact CB-CD2 3.75Å; S281-L285 VanDerWaalsContact O-CG 3.32Å; S281-L285 WeakPolarHBondContact O-CG 3.42Å; S281-L285 PolarHBondContact O-N 2.97Å; K282-L285 PolarHBondContact O-N 3.23Å; L285-W287 VanDerWaalsContact C-N 3.33Å; L285-W287 PolarHBondContact O-N 2.86Å; L285-G288 PolarHBondContact O-N 2.91Å; L285-F289 WeakPolarHBondContact O-CD2 3.25Å; L285-F289 PolarHBondContact O-N 3.21Å
286	T	98.5	Very high	96.6	Very high	42 Å²	42	30.9 Å²	30.9	26%	0.258	15%	0.152	S	C	.	.	H	α-helix	trans	-62.6	-38.5	177.7	52.8	0	0	0	0	112.4	L236 K282 K283 R290	L236-T286 HydrophobicContact CD1-CG2 4.08Å; L236-T286 HydrophobicContact CD2-CG2 3.86Å; L236-T286 HydrophobicContact CG-CG2 4.09Å; K282-T286 HydrophobicContact CG-CG2 4.13Å; K282-T286 WeakPolarHBondContact O-CB 3.43Å; K282-T286 VanDerWaalsContact O-CG2 3.3Å; K282-T286 WeakPolarHBondContact O-CG2 3.41Å; K282-T286 PolarHBondContact O-N 3.27Å; K282-T286 PolarHBondContact O-OG1 2.85Å; K283-T286 PolarHBondContact O-OG1 3.06Å; K283-T286 VanDerWaalsContact O-OG1 3.1Å; T286-R290 VanDerWaalsContact O-CB 3.26Å; T286-R290 WeakPolarHBondContact O-CB 3.47Å; T286-R290 PolarHBondContact O-N 2.87Å
287	W	98.5	Very high	97	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-45.3	173.9	174.6	94.8	0	0	0	111.8	P39 G40 V41 P42 L51 L60 A61 K283 L284 L285 R290 F291 F292	P39-W287 HydrophobicContact CB-CZ2 3.99Å; P39-W287 HydrophobicContact CG-CH2 4.43Å; P39-W287 HydrophobicContact CG-CZ2 3.67Å; G40-W287 PolarHBondContact O-NE1 2.92Å; V41-W287 HydrophobicContact CG2-CH2 4.04Å; V41-W287 HydrophobicContact CG2-CZ2 3.9Å; P42-W287 VanDerWaalsContact CD-CD1 3.47Å; P42-W287 HydrophobicContact CG-CB 3.83Å; P42-W287 HydrophobicContact CG-CD2 4.49Å; P42-W287 HydrophobicContact CG-CG 3.7Å; L51-W287 HydrophobicContact CD2-CE3 3.82Å; L51-W287 HydrophobicContact CD2-CZ3 4Å; L60-W287 HydrophobicContact CB-CZ3 4.01Å; L60-W287 WeakPolarHBondContact O-CH2 3.39Å; A61-W287 HydrophobicContact CB-CH2 4.1Å; A61-W287 HydrophobicContact CB-CZ3 3.84Å; K283-W287 WeakPolarHBondContact O-CB 3.41Å; K283-W287 PolarHBondContact O-N 3.28Å; L284-W287 PolarHBondContact O-N 2.97Å; L285-W287 VanDerWaalsContact C-N 3.33Å; L285-W287 PolarHBondContact O-N 2.86Å; W287-R290 PolarHBondContact O-N 2.9Å; W287-F291 AromaticContact CD1-CD2 3.43Å; W287-F291 VanDerWaalsContact CD1-CD2 3.43Å; W287-F291 AromaticContact CD1-CE2 3.39Å; W287-F291 HydrophobicContact CD2-CD2 4.22Å; W287-F291 AromaticContact CE2-CD2 3.94Å; W287-F291 AromaticContact CG-CD2 3.91Å; W287-F291 HydrophobicContact CG-CD2 3.91Å; W287-F291 HydrophobicContact CG-CE2 4.24Å; W287-F291 AromaticContact NE1-CD2 3.43Å; W287-F291 AromaticContact NE1-CE2 3.54Å; W287-F291 WeakPolarHBondContact O-CD2 3.47Å; W287-F291 PolarHBondContact O-N 3.27Å; W287-F291 VanDerWaalsContact O-N 3.07Å; W287-F292 HydrophobicContact CE3-CE2 4.17Å; W287-F292 AromaticContact CH2-CE2 3.38Å; W287-F292 HydrophobicContact CH2-CE2 3.38Å; W287-F292 AromaticContact CH2-CZ 3.79Å; W287-F292 HydrophobicContact CH2-CZ 3.79Å; W287-F292 AromaticContact CZ2-CE2 3.92Å; W287-F292 HydrophobicContact CZ2-CE2 3.92Å; W287-F292 HydrophobicContact CZ2-CZ 4.4Å; W287-F292 HydrophobicContact CZ3-CD2 4.32Å; W287-F292 AromaticContact CZ3-CE2 3.52Å; W287-F292 HydrophobicContact CZ3-CE2 3.52Å; W287-F292 HydrophobicContact CZ3-CZ 4.25Å
288	G	98.6	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-49.5	178.4	0	0	0	0	0	111.9	L284 L285 R290 F291 F292	L284-G288 PolarHBondContact O-N 3.07Å; L285-G288 PolarHBondContact O-N 2.91Å; G288-R290 VanDerWaalsContact C-N 3.33Å; G288-R290 PolarHBondContact O-N 3.46Å; G288-F291 PolarHBondContact O-N 2.9Å; G288-F292 WeakPolarHBondContact O-CB 3.12Å; G288-F292 WeakPolarHBondContact O-CD2 3.45Å; G288-F292 PolarHBondContact O-N 3.17Å
289	F	98.4	Very high	97.5	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.022	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-40.8	175.3	-70.8	-57.3	0	0	0	111.6	L236 A257 E259 M262 L264 L285 F291 R331	L236-F289 HydrophobicContact CD2-CD2 4.04Å; L236-F289 HydrophobicContact CD2-CE2 4.23Å; A257-F289 HydrophobicContact CB-CE2 3.88Å; A257-F289 HydrophobicContact CB-CZ 4.25Å; A257-F289 WeakPolarHBondContact O-CZ 3.48Å; E259-F289 HydrophobicContact CB-CD1 3.57Å; E259-F289 HydrophobicContact CB-CE1 3.62Å; E259-F289 HydrophobicContact CB-CG 4.13Å; E259-F289 HydrophobicContact CB-CZ 4.21Å; M262-F289 HydrophobicContact CB-CE1 4.16Å; M262-F289 HydrophobicContact CG-CD1 4.26Å; M262-F289 HydrophobicContact CG-CE1 3.96Å; M262-F289 HydrophobicContact SD-CD1 4.06Å; M262-F289 HydrophobicContact SD-CE1 4.35Å; L264-F289 HydrophobicContact CB-CE1 4.48Å; L264-F289 HydrophobicContact CB-CE2 4.44Å; L264-F289 HydrophobicContact CB-CZ 4.05Å; L264-F289 HydrophobicContact CD1-CD1 3.93Å; L264-F289 HydrophobicContact CD1-CD2 4.06Å; L264-F289 HydrophobicContact CD1-CE1 3.94Å; L264-F289 HydrophobicContact CD1-CE2 4.07Å; L264-F289 HydrophobicContact CD1-CG 3.98Å; L264-F289 HydrophobicContact CD1-CZ 4.01Å; L264-F289 HydrophobicContact CG-CD1 4.29Å; L264-F289 HydrophobicContact CG-CE1 3.84Å; L264-F289 HydrophobicContact CG-CE2 4.41Å; L264-F289 HydrophobicContact CG-CZ 3.9Å; L285-F289 WeakPolarHBondContact O-CD2 3.25Å; L285-F289 PolarHBondContact O-N 3.21Å; F289-F291 PolarHBondContact O-N 2.93Å; F289-R331 PolarHBondContact O-NE 3.09Å; F289-R331 PolarHBondContact O-NH2 2.82Å
290	R	97.4	Very high	97.5	Very high	142 Å²	142	37.3 Å²	37.3	54%	0.536	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-38.3	-178.2	-176	169.9	64.3	-124.9	6.6	113.5	T286 W287 G288 R331	T286-R290 VanDerWaalsContact O-CB 3.26Å; T286-R290 WeakPolarHBondContact O-CB 3.47Å; T286-R290 PolarHBondContact O-N 2.87Å; W287-R290 PolarHBondContact O-N 2.9Å; G288-R290 VanDerWaalsContact C-N 3.33Å; G288-R290 PolarHBondContact O-N 3.46Å; R290-R331 WeakPolarHBondContact O-CD 3.3Å
291	F	97.4	Very high	97.3	Very high	53 Å²	53	38.7 Å²	38.7	23%	0.232	20%	0.201	C	C	.	.	H	α-helix	trans	-108.8	-10.4	-170	-66.2	-66.7	0	0	0	115.5	M37 P39 W287 G288 F289 P330 R331	M37-F291 HydrophobicContact CE-CD1 4.33Å; M37-F291 HydrophobicContact CE-CE1 3.91Å; P39-F291 HydrophobicContact CB-CB 3.91Å; P39-F291 HydrophobicContact CB-CD1 3.75Å; P39-F291 HydrophobicContact CB-CD2 3.6Å; P39-F291 HydrophobicContact CB-CE1 4.09Å; P39-F291 HydrophobicContact CB-CE2 3.91Å; P39-F291 HydrophobicContact CB-CG 3.49Å; P39-F291 VanDerWaalsContact CB-CG 3.49Å; P39-F291 HydrophobicContact CB-CZ 4.15Å; P39-F291 HydrophobicContact CG-CB 3.76Å; P39-F291 HydrophobicContact CG-CD1 4.43Å; P39-F291 HydrophobicContact CG-CD2 4.28Å; P39-F291 HydrophobicContact CG-CG 3.94Å; W287-F291 AromaticContact CD1-CD2 3.43Å; W287-F291 VanDerWaalsContact CD1-CD2 3.43Å; W287-F291 AromaticContact CD1-CE2 3.39Å; W287-F291 HydrophobicContact CD2-CD2 4.22Å; W287-F291 AromaticContact CE2-CD2 3.94Å; W287-F291 AromaticContact CG-CD2 3.91Å; W287-F291 HydrophobicContact CG-CD2 3.91Å; W287-F291 HydrophobicContact CG-CE2 4.24Å; W287-F291 AromaticContact NE1-CD2 3.43Å; W287-F291 AromaticContact NE1-CE2 3.54Å; W287-F291 WeakPolarHBondContact O-CD2 3.47Å; W287-F291 PolarHBondContact O-N 3.27Å; W287-F291 VanDerWaalsContact O-N 3.07Å; G288-F291 PolarHBondContact O-N 2.9Å; F289-F291 PolarHBondContact O-N 2.93Å; F291-P330 CarbonylContact O-C 3.54Å; F291-P330 WeakPolarHBondContact O-CA 3.37Å; F291-R331 PolarHBondContact O-N 3.14Å
292	F	97.7	Very high	97.3	Very high	29 Å²	29	45 Å²	45	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.5	-179.1	-59.5	-95.5	0	0	0	111.2	P39 L60 M262 W287 G288 T328 I329 R331	P39-F292 HydrophobicContact CG-CE2 4.03Å; P39-F292 HydrophobicContact CG-CZ 4.03Å; L60-F292 HydrophobicContact CB-CE2 4.33Å; L60-F292 HydrophobicContact CB-CZ 4.38Å; L60-F292 HydrophobicContact CD2-CB 3.98Å; L60-F292 HydrophobicContact CD2-CD1 4.32Å; L60-F292 HydrophobicContact CD2-CD2 3.7Å; L60-F292 HydrophobicContact CD2-CE2 4.27Å; L60-F292 HydrophobicContact CD2-CG 3.73Å; L60-F292 HydrophobicContact CG-CD1 4.21Å; L60-F292 HydrophobicContact CG-CD2 4.21Å; L60-F292 HydrophobicContact CG-CE1 4.37Å; L60-F292 HydrophobicContact CG-CE2 4.4Å; L60-F292 HydrophobicContact CG-CG 4.12Å; L60-F292 HydrophobicContact CG-CZ 4.46Å; M262-F292 HydrophobicContact CE-CB 3.9Å; W287-F292 HydrophobicContact CE3-CE2 4.17Å; W287-F292 AromaticContact CH2-CE2 3.38Å; W287-F292 HydrophobicContact CH2-CE2 3.38Å; W287-F292 AromaticContact CH2-CZ 3.79Å; W287-F292 HydrophobicContact CH2-CZ 3.79Å; W287-F292 AromaticContact CZ2-CE2 3.92Å; W287-F292 HydrophobicContact CZ2-CE2 3.92Å; W287-F292 HydrophobicContact CZ2-CZ 4.4Å; W287-F292 HydrophobicContact CZ3-CD2 4.32Å; W287-F292 AromaticContact CZ3-CE2 3.52Å; W287-F292 HydrophobicContact CZ3-CE2 3.52Å; W287-F292 HydrophobicContact CZ3-CZ 4.25Å; G288-F292 WeakPolarHBondContact O-CB 3.12Å; G288-F292 WeakPolarHBondContact O-CD2 3.45Å; G288-F292 PolarHBondContact O-N 3.17Å; F292-T328 HydrophobicContact CB-CG2 3.91Å; F292-T328 HydrophobicContact CD1-CG2 4.17Å; F292-T328 HydrophobicContact CG-CG2 4.38Å; F292-I329 VanDerWaalsContact CA-O 3.31Å; F292-I329 WeakPolarHBondContact CA-O 3.3Å; F292-R331 PolarHBondContact O-NE 3.48Å; F292-R331 PolarHBondContact O-NH2 3.01Å
293	E	97.2	Very high	97.3	Very high	38 Å²	38	47.6 Å²	47.6	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.6	168.6	69.1	-168	173.6	0	0	109.3	V295 T328 I329 R331 G332 R333 M334	E293-V295 HydrophobicContact CG-CG1 4.39Å; E293-T328 WeakPolarHBondContact O-CA 3.3Å; E293-I329 HydrophobicContact CG-CD1 4.28Å; E293-I329 HydrophobicContact CG-CG1 3.74Å; E293-I329 PolarHBondContact N-O 2.96Å; E293-I329 PolarHBondContact O-N 2.82Å; E293-R331 HydrophobicContact CB-CG 4.49Å; E293-G332 VanDerWaalsContact CD-N 3.31Å; E293-G332 PolarHBondContact OE1-N 3.09Å; E293-G332 VanDerWaalsContact OE1-N 3.08Å; E293-G332 PolarHBondContact OE2-N 3.19Å; E293-R333 PolarHBondContact OE1-N 2.73Å; E293-M334 WeakPolarHBondContact OE1-CB 3.17Å; E293-M334 PolarHBondContact OE1-N 2.91Å; E293-M334 VanDerWaalsContact OE1-N 3.09Å
294	T	98.2	Very high	97.3	Very high	21 Å²	21	47 Å²	47	13%	0.129	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122	175.8	-66.9	0	0	0	0	109.9	D53 N55 Y326 L327 T328	D53-T294 WeakPolarHBondContact OD2-CB 3.48Å; D53-T294 PolarHBondContact OD2-OG1 3.47Å; N55-T294 HydrophobicContact CB-CG2 4.39Å; T294-Y326 HydrophobicContact CG2-CD1 4.1Å; T294-L327 CarbonylContact C-O 3.55Å; T294-L327 VanDerWaalsContact CA-O 3.31Å; T294-L327 WeakPolarHBondContact CA-O 3.5Å; T294-T328 PolarHBondContact OG1-OG1 3.02Å
295	V	96.8	Very high	97.3	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.085	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.1	-178.5	-62.1	0	0	0	0	110.4	E293 P297 Y326 L327 I329 M334 L337	E293-V295 HydrophobicContact CG-CG1 4.39Å; V295-P297 VanDerWaalsContact C-CD 3.48Å; V295-P297 WeakPolarHBondContact O-CD 3.46Å; V295-Y326 WeakPolarHBondContact O-CA 3.39Å; V295-L327 HydrophobicContact CG2-CB 3.9Å; V295-L327 HydrophobicContact CG2-CD1 4.44Å; V295-L327 PolarHBondContact N-O 3.44Å; V295-L327 PolarHBondContact O-N 2.96Å; V295-I329 HydrophobicContact CG1-CD1 4.08Å; V295-I329 HydrophobicContact CG2-CD1 4.2Å; V295-M334 HydrophobicContact CG1-CB 4.04Å; V295-M334 HydrophobicContact CG1-CG 3.77Å; V295-M334 HydrophobicContact CG1-SD 3.84Å; V295-L337 HydrophobicContact CG2-CD2 4.09Å
296	N	96.9	Very high	97.2	Very high	37 Å²	37	49.2 Å²	49.2	20%	0.198	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	74.6	176.8	177.6	-141	0	0	0	110.4	L298 K299 V325 Y326	N296-L298 VanDerWaalsContact C-N 3.3Å; N296-L298 PolarHBondContact ND2-O 3.28Å; N296-L298 PolarHBondContact O-N 3.11Å; N296-K299 VanDerWaalsContact OD1-CE 3.28Å; N296-K299 WeakPolarHBondContact OD1-CE 3.4Å; N296-K299 PolarHBondContact OD1-NZ 3.45Å; N296-V325 VanDerWaalsContact CA-O 3.28Å; N296-V325 WeakPolarHBondContact CA-O 3.1Å; N296-V325 PolarHBondContact ND2-O 3.12Å; N296-Y326 HydrophobicContact CB-CD1 3.9Å; N296-Y326 HydrophobicContact CB-CE1 3.78Å
297	P	95.3	Very high	97.2	Very high	61 Å²	61	49.2 Å²	49.2	40%	0.396	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-21.1	-169.9	28.3	-37.4	0	0	0	114.1	V295 V325 L327 F363	V295-P297 VanDerWaalsContact C-CD 3.48Å; V295-P297 WeakPolarHBondContact O-CD 3.46Å; P297-V325 WeakPolarHBondContact CD-O 3.29Å; P297-V325 HydrophobicContact CG-CB 4.48Å; P297-V325 HydrophobicContact CG-CG1 4.07Å; P297-L327 HydrophobicContact CG-CD1 3.78Å; P297-L327 HydrophobicContact CG-CG 4.21Å; P297-F363 HydrophobicContact CB-CE1 4.11Å; P297-F363 HydrophobicContact CG-CD1 4.38Å; P297-F363 HydrophobicContact CG-CE1 3.67Å; P297-F363 HydrophobicContact CG-CZ 4.04Å
298	L	95.3	Very high	97.1	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.4	-176.7	-170	63	0	0	0	111	N296 K302 F304 V321 V325 I361	N296-L298 VanDerWaalsContact C-N 3.3Å; N296-L298 PolarHBondContact ND2-O 3.28Å; N296-L298 PolarHBondContact O-N 3.11Å; L298-K302 HydrophobicContact CD1-CB 4.22Å; L298-F304 HydrophobicContact CD1-CB 4.05Å; L298-F304 HydrophobicContact CD1-CD2 4.35Å; L298-F304 HydrophobicContact CD2-CB 3.77Å; L298-F304 HydrophobicContact CD2-CD2 4.03Å; L298-F304 HydrophobicContact CD2-CG 4.03Å; L298-V321 HydrophobicContact CD2-CB 4.3Å; L298-V321 HydrophobicContact CD2-CG1 3.59Å; L298-V321 HydrophobicContact CD2-CG2 3.83Å; L298-V321 HydrophobicContact CG-CG1 4.45Å; L298-V321 HydrophobicContact CG-CG2 3.79Å; L298-V325 HydrophobicContact CB-CB 4.29Å; L298-V325 HydrophobicContact CB-CG2 4.15Å; L298-V325 PolarHBondContact O-N 3.41Å; L298-I361 HydrophobicContact CD2-CD1 3.68Å
299	K	96.4	Very high	97	Very high	94 Å²	94	51.8 Å²	51.8	41%	0.409	27%	0.269	S	S	.	.			trans	-110.3	156	179.2	-68.5	-171.3	166.1	-59.3	0	111.3	N296 G301 K302 D324	N296-K299 VanDerWaalsContact OD1-CE 3.28Å; N296-K299 WeakPolarHBondContact OD1-CE 3.4Å; N296-K299 PolarHBondContact OD1-NZ 3.45Å; K299-G301 PolarHBondContact O-N 2.88Å; K299-K302 HydrophobicContact CB-CG 4.08Å; K299-K302 PolarHBondContact O-N 3.33Å; K299-D324 VanDerWaalsContact CA-OD1 3.25Å; K299-D324 WeakPolarHBondContact CA-OD1 3.45Å; K299-D324 IonicContact NZ-OD2 3.77Å; K299-D324 PolarHBondContact NZ-OD2 2.95Å
300	V	96.4	Very high	96.7	Very high	72 Å²	72	53.2 Å²	53.2	44%	0.436	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	135.5	174.9	-178.4	0	0	0	0	111	K302 V321 D322 K323 D324	V300-K302 PolarHBondContact O-N 3.45Å; V300-V321 WeakPolarHBondContact CA-O 3.48Å; V300-D322 VanDerWaalsContact CG2-C 3.45Å; V300-D322 WeakPolarHBondContact CG2-O 3.44Å; V300-K323 VanDerWaalsContact CG2-C 3.44Å; V300-K323 VanDerWaalsContact CG2-CA 3.41Å; V300-D324 VanDerWaalsContact CG2-N 3.34Å; V300-D324 WeakPolarHBondContact CG2-OD1 3.07Å; V300-D324 PolarHBondContact N-OD1 3.34Å
301	G	93.9	Very high	96.6	Very high	51 Å²	51	48.4 Å²	48.4	53%	0.526	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	5.9	176.7	0	0	0	0	0	115	K299	K299-G301 PolarHBondContact O-N 2.88Å
302	K	97.4	Very high	96.4	Very high	132 Å²	132	46.3 Å²	46.3	57%	0.574	25%	0.251	S	S	*	.			trans	-93.1	127.8	169.3	-61.5	-58.2	-179.6	-175.1	0	109.6	L298 K299 V300 F304	L298-K302 HydrophobicContact CD1-CB 4.22Å; K299-K302 HydrophobicContact CB-CG 4.08Å; K299-K302 PolarHBondContact O-N 3.33Å; V300-K302 PolarHBondContact O-N 3.45Å; K302-F304 PolarHBondContact O-N 3.04Å
303	E	98	Very high	96.1	Very high	114 Å²	114	49.6 Å²	49.6	53%	0.533	27%	0.27	S	S	.	.			trans	-62.8	126.7	175.1	-173.5	172.9	107.3	0	0	109.9	A305 S318 L378	E303-A305 WeakPolarHBondContact CG-O 3.19Å; E303-S318 WeakPolarHBondContact CG-OG 3.35Å; E303-S318 VanDerWaalsContact OE2-CB 3.29Å; E303-S318 WeakPolarHBondContact OE2-CB 3.49Å; E303-S318 PolarHBondContact OE2-OG 2.85Å; E303-L378 HydrophobicContact CB-CD1 4.43Å
304	F	97.8	Very high	95.9	Very high	63 Å²	63	50.1 Å²	50.1	28%	0.276	28%	0.278	S	S	.	.	S	Bend	trans	-101.1	-38.3	171.5	178.1	-103.7	0	0	0	111.2	L298 K302 L319 A339 Y341 I361 L375	L298-F304 HydrophobicContact CD1-CB 4.05Å; L298-F304 HydrophobicContact CD1-CD2 4.35Å; L298-F304 HydrophobicContact CD2-CB 3.77Å; L298-F304 HydrophobicContact CD2-CD2 4.03Å; L298-F304 HydrophobicContact CD2-CG 4.03Å; K302-F304 PolarHBondContact O-N 3.04Å; F304-L319 PolarHBondContact N-O 3.23Å; F304-A339 HydrophobicContact CE2-CB 3.75Å; F304-A339 HydrophobicContact CZ-CB 3.68Å; F304-Y341 HydrophobicContact CD1-CD1 4.43Å; F304-Y341 AromaticContact CE1-CD1 3.85Å; F304-Y341 HydrophobicContact CE1-CD1 3.85Å; F304-Y341 HydrophobicContact CE1-CG 4.38Å; F304-I361 HydrophobicContact CD1-CD1 3.96Å; F304-I361 HydrophobicContact CD1-CG1 4.15Å; F304-I361 HydrophobicContact CE1-CD1 4.33Å; F304-I361 HydrophobicContact CE1-CG1 4.16Å; F304-I361 HydrophobicContact CE1-CG2 4Å; F304-I361 HydrophobicContact CE2-CG2 4.49Å; F304-I361 HydrophobicContact CG-CD1 4.18Å; F304-I361 HydrophobicContact CZ-CG2 3.92Å; F304-L375 HydrophobicContact CD1-CD1 4.17Å
305	A	97.6	Very high	95.6	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162	178.4	0	0	0	0	0	110.2	E303 L319 Y341	E303-A305 WeakPolarHBondContact CG-O 3.19Å; A305-L319 PolarHBondContact N-O 3.48Å; A305-L319 WeakPolarHBondContact O-CB 3.44Å; A305-L319 PolarHBondContact O-N 3.38Å; A305-Y341 HydrophobicContact CB-CD1 4.11Å; A305-Y341 HydrophobicContact CB-CE1 3.63Å; A305-Y341 HydrophobicContact CB-CE2 4.45Å
306	S	97.7	Very high	95.6	Very high	36 Å²	36	60.1 Å²	60.1	25%	0.252	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.8	166.4	63.3	0	0	0	0	109.8	R316 A317	S306-R316 PolarHBondContact O-NH2 2.93Å; S306-R316 PolarHBondContact OG-NE 2.87Å; S306-R316 PolarHBondContact OG-NH2 3.27Å; S306-A317 VanDerWaalsContact CA-O 3.27Å; S306-A317 WeakPolarHBondContact CA-O 3.38Å
307	E	97.8	Very high	95.6	Very high	42 Å²	42	58.3 Å²	58.3	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.4	-179.6	-74.3	-67.2	174.8	0	0	110.7	R316 A317 L319 Y341 L343 L348	E307-R316 CarbonylContact O-C 3.19Å; E307-R316 WeakPolarHBondContact O-CA 3.4Å; E307-A317 PolarHBondContact N-O 2.88Å; E307-A317 VanDerWaalsContact N-O 3.13Å; E307-A317 PolarHBondContact O-N 3.47Å; E307-L319 HydrophobicContact CB-CD1 4.14Å; E307-L319 HydrophobicContact CG-CD1 3.8Å; E307-Y341 HydrophobicContact CG-CE2 4.34Å; E307-Y341 VanDerWaalsContact OE1-CE2 3.27Å; E307-Y341 WeakPolarHBondContact OE1-CE2 3.17Å; E307-Y341 VanDerWaalsContact OE1-CZ 3.28Å; E307-Y341 PolarHBondContact OE1-OH 3.02Å; E307-L343 HydrophobicContact CG-CD1 3.98Å; E307-L343 HydrophobicContact CG-CD2 4.45Å; E307-L348 HydrophobicContact CB-CD1 3.73Å
308	P	96.6	Very high	95.8	Very high	54 Å²	54	56.3 Å²	56.3	35%	0.351	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	139.8	170.3	-18	30.7	0	0	0	110.6	D315	P308-D315 WeakPolarHBondContact CA-O 3.36Å
309	V	96.2	Very high	95.9	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.3	169.5	76.7	0	0	0	0	108.5	S314 D315 L348 L352 I381	V309-S314 WeakPolarHBondContact CG1-O 3.22Å; V309-D315 PolarHBondContact N-O 3.18Å; V309-D315 VanDerWaalsContact N-O 3.09Å; V309-L348 CarbonylContact C-O 3.57Å; V309-L348 WeakPolarHBondContact CA-O 3.43Å; V309-L348 HydrophobicContact CB-CB 4.42Å; V309-L348 HydrophobicContact CG2-CB 4.04Å; V309-L348 WeakPolarHBondContact CG2-O 3.2Å; V309-L352 HydrophobicContact CG2-CD1 3.58Å; V309-L352 HydrophobicContact CG2-CG 4.21Å; V309-I381 HydrophobicContact CG1-CD1 4.22Å; V309-I381 HydrophobicContact CG1-CG2 4.12Å
310	W	93.9	Very high	96	Very high	35 Å²	35	51.1 Å²	51.1	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.5	178.9	-57.4	102.9	0	0	0	110.2	G312 L348 H349 A350 D392 K395 L396	W310-G312 PolarHBondContact O-N 3.45Å; W310-L348 PolarHBondContact N-O 3.48Å; W310-H349 AromaticContact CD1-CD2 3.8Å; W310-A350 PolarHBondContact O-N 2.82Å; W310-D392 HydrophobicContact CE3-CB 3.93Å; W310-K395 HydrophobicContact CH2-CB 4.05Å; W310-K395 HydrophobicContact CZ3-CB 3.61Å; W310-K395 HydrophobicContact CZ3-CD 4.32Å; W310-L396 HydrophobicContact CB-CD1 4.12Å; W310-L396 HydrophobicContact CD2-CD1 3.06Å; W310-L396 HydrophobicContact CD2-CG 4.47Å; W310-L396 HydrophobicContact CE3-CD1 3.52Å; W310-L396 HydrophobicContact CG-CD1 3.33Å; W310-L396 HydrophobicContact CH2-CD1 3.97Å; W310-L396 HydrophobicContact CZ2-CD1 3.59Å; W310-L396 HydrophobicContact CZ3-CB 4.42Å; W310-L396 HydrophobicContact CZ3-CD1 3.95Å
311	F	94	Very high	96.1	Very high	40 Å²	40	47.8 Å²	47.8	18%	0.175	26%	0.255	C	S	.	.	S	Bend	trans	65.9	16.5	175.8	-40.2	-62.1	0	0	0	114.2	H349 G384 K389 D392	F311-H349 HydrophobicContact CD2-CB 4.29Å; F311-H349 AromaticContact CE2-CE1 3.99Å; F311-H349 AromaticContact CE2-ND1 3.92Å; F311-G384 PolarHBondContact O-N 3Å; F311-K389 HydrophobicContact CB-CD 4.36Å; F311-K389 HydrophobicContact CB-CG 4.05Å; F311-K389 HydrophobicContact CD1-CB 4.16Å; F311-D392 HydrophobicContact CD1-CB 3.95Å; F311-D392 HydrophobicContact CE1-CB 4.15Å; F311-D392 PolarHBondContact N-OD2 2.99Å
312	G	93.4	Very high	96.3	Very high	10 Å²	10	49.4 Å²	49.4	10%	0.103	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-92.2	169.3	179.2	0	0	0	0	0	113.6	W310 A350 P382 G384	W310-G312 PolarHBondContact O-N 3.45Å; G312-A350 VanDerWaalsContact CA-CB 3.48Å; G312-P382 WeakPolarHBondContact CA-O 3.24Å; G312-G384 VanDerWaalsContact C-CA 3.4Å; G312-G384 WeakPolarHBondContact O-CA 3.31Å
313	D	91	Very high	96.2	Very high	97 Å²	97	50.4 Å²	50.4	52%	0.519	26%	0.256	S	S	.	.	S	Bend	trans	-79.7	-5.8	167.9	74.5	-14	0	0	0	113.4	P382	D313-P382 HydrophobicContact CB-CG 4.38Å; D313-P382 PolarHBondContact N-O 2.84Å; D313-P382 WeakPolarHBondContact OD1-CD 3.25Å; D313-P382 WeakPolarHBondContact OD2-CG 3.24Å
314	S	92.6	Very high	96.1	Very high	50 Å²	50	47.2 Å²	47.2	35%	0.35	24%	0.243	S	C	.	.	S	Bend	trans	-131.3	142.2	-178.7	-58.4	0	0	0	0	108.4	V309 R316	V309-S314 WeakPolarHBondContact CG1-O 3.22Å; S314-R316 VanDerWaalsContact C-N 3.34Å; S314-R316 PolarHBondContact O-N 3.39Å
315	D	92.4	Very high	96.1	Very high	121 Å²	121	44.3 Å²	44.3	65%	0.647	23%	0.23	S	C	*	.	S	Bend	trans	-77.2	-18.2	-176.3	-68.9	-30.3	0	0	0	113.8	P308 V309	P308-D315 WeakPolarHBondContact CA-O 3.36Å; V309-D315 PolarHBondContact N-O 3.18Å; V309-D315 VanDerWaalsContact N-O 3.09Å
316	R	96.9	Very high	96.2	Very high	123 Å²	123	46.6 Å²	46.6	46%	0.464	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.7	-173.9	-58.7	-175.6	69.7	73.6	-2.6	112	S306 E307 S314	S306-R316 PolarHBondContact O-NH2 2.93Å; S306-R316 PolarHBondContact OG-NE 2.87Å; S306-R316 PolarHBondContact OG-NH2 3.27Å; E307-R316 CarbonylContact O-C 3.19Å; E307-R316 WeakPolarHBondContact O-CA 3.4Å; S314-R316 VanDerWaalsContact C-N 3.34Å; S314-R316 PolarHBondContact O-N 3.39Å
317	A	97.9	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.2	168.9	0	0	0	0	0	111	S306 E307 L319 L348 L352 I381	S306-A317 VanDerWaalsContact CA-O 3.27Å; S306-A317 WeakPolarHBondContact CA-O 3.38Å; E307-A317 PolarHBondContact N-O 2.88Å; E307-A317 VanDerWaalsContact N-O 3.13Å; E307-A317 PolarHBondContact O-N 3.47Å; A317-L319 HydrophobicContact CB-CD2 3.84Å; A317-L348 HydrophobicContact CB-CD1 3.87Å; A317-L352 HydrophobicContact CB-CD1 3.95Å; A317-I381 VanDerWaalsContact CA-CD1 3.5Å; A317-I381 HydrophobicContact CB-CD1 3.7Å
318	S	98.3	Very high	96.2	Very high	19 Å²	19	43.4 Å²	43.4	13%	0.133	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.4	168.6	-172.3	0	0	0	0	109.2	E303 L378	E303-S318 WeakPolarHBondContact CG-OG 3.35Å; E303-S318 VanDerWaalsContact OE2-CB 3.29Å; E303-S318 WeakPolarHBondContact OE2-CB 3.49Å; E303-S318 PolarHBondContact OE2-OG 2.85Å; S318-L378 WeakPolarHBondContact O-CB 3.43Å; S318-L378 PolarHBondContact O-N 2.91Å
319	L	98.6	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.3	-171.5	-51.5	-177.7	0	0	0	111.4	F304 A305 E307 A317 L343 L348 V358 L375 V376 V377	F304-L319 PolarHBondContact N-O 3.23Å; A305-L319 PolarHBondContact N-O 3.48Å; A305-L319 WeakPolarHBondContact O-CB 3.44Å; A305-L319 PolarHBondContact O-N 3.38Å; E307-L319 HydrophobicContact CB-CD1 4.14Å; E307-L319 HydrophobicContact CG-CD1 3.8Å; A317-L319 HydrophobicContact CB-CD2 3.84Å; L319-L343 HydrophobicContact CD1-CD2 4.16Å; L319-L348 HydrophobicContact CD1-CD1 4.38Å; L319-L348 HydrophobicContact CD2-CD1 4.44Å; L319-V358 HydrophobicContact CD1-CG2 4.17Å; L319-V358 HydrophobicContact CD2-CG2 3.78Å; L319-L375 HydrophobicContact CB-CD1 3.77Å; L319-L375 HydrophobicContact CB-CD2 4.21Å; L319-L375 HydrophobicContact CB-CG 3.97Å; L319-L375 HydrophobicContact CD1-CD2 3.74Å; L319-L375 HydrophobicContact CD1-CG 4.28Å; L319-V376 CarbonylContact C-O 3.56Å; L319-V376 VanDerWaalsContact CA-O 3.29Å; L319-V376 WeakPolarHBondContact CA-O 3.43Å; L319-V377 HydrophobicContact CD2-CG2 3.96Å
320	G	98.4	Very high	96.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-134.4	179.5	0	0	0	0	0	111.9	V376	G320-V376 PolarHBondContact N-O 3.04Å; G320-V376 PolarHBondContact O-N 2.81Å
321	V	98.1	Very high	96.2	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.227	C	C	.	.			trans	-132.1	150.2	-177.4	-67	0	0	0	0	111.3	L298 V300 K323 V325 I361	L298-V321 HydrophobicContact CD2-CB 4.3Å; L298-V321 HydrophobicContact CD2-CG1 3.59Å; L298-V321 HydrophobicContact CD2-CG2 3.83Å; L298-V321 HydrophobicContact CG-CG1 4.45Å; L298-V321 HydrophobicContact CG-CG2 3.79Å; V300-V321 WeakPolarHBondContact CA-O 3.48Å; V321-K323 WeakPolarHBondContact CB-O 3.46Å; V321-K323 VanDerWaalsContact CG2-O 3.28Å; V321-K323 WeakPolarHBondContact CG2-O 3.5Å; V321-V325 HydrophobicContact CB-CG2 4.29Å; V321-V325 HydrophobicContact CG1-CG2 3.78Å; V321-V325 HydrophobicContact CG2-CG2 4.12Å; V321-I361 HydrophobicContact CG1-CD1 3.7Å
322	D	97.1	Very high	96.1	Very high	84 Å²	84	46.3 Å²	46.3	45%	0.449	24%	0.241	S	C	.	.	S	Bend	trans	-93.4	-7.8	173.9	65.4	-17.3	0	0	0	113	V300 N355 V376	V300-D322 VanDerWaalsContact CG2-C 3.45Å; V300-D322 WeakPolarHBondContact CG2-O 3.44Å; D322-N355 HydrophobicContact CB-CB 4.35Å; D322-V376 HydrophobicContact CB-CG2 4.19Å
323	K	95.8	Very high	96.2	Very high	154 Å²	154	46.3 Å²	46.3	67%	0.67	24%	0.238	S	C	*	.	S	Bend	trans	-135.8	138.5	173.9	-171.5	176.4	178.6	-178.2	0	111.2	V300 V321 V325	V300-K323 VanDerWaalsContact CG2-C 3.44Å; V300-K323 VanDerWaalsContact CG2-CA 3.41Å; V321-K323 WeakPolarHBondContact CB-O 3.46Å; V321-K323 VanDerWaalsContact CG2-O 3.28Å; V321-K323 WeakPolarHBondContact CG2-O 3.5Å; K323-V325 PolarHBondContact O-N 3.27Å
324	D	96.9	Very high	96.3	Very high	47 Å²	47	47.4 Å²	47.4	25%	0.251	24%	0.241	S	C	.	.			trans	-54	128.4	175.3	-87.9	20.1	0	0	0	109.8	K299 V300 Y326	K299-D324 VanDerWaalsContact CA-OD1 3.25Å; K299-D324 WeakPolarHBondContact CA-OD1 3.45Å; K299-D324 IonicContact NZ-OD2 3.77Å; K299-D324 PolarHBondContact NZ-OD2 2.95Å; V300-D324 VanDerWaalsContact CG2-N 3.34Å; V300-D324 WeakPolarHBondContact CG2-OD1 3.07Å; V300-D324 PolarHBondContact N-OD1 3.34Å; D324-Y326 HydrophobicContact CB-CD2 4.33Å; D324-Y326 HydrophobicContact CB-CE2 3.72Å
325	V	97.7	Very high	96.4	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.3	-177	178.5	0	0	0	0	109	N296 P297 L298 V321 K323 L327 F363 R373	N296-V325 VanDerWaalsContact CA-O 3.28Å; N296-V325 WeakPolarHBondContact CA-O 3.1Å; N296-V325 PolarHBondContact ND2-O 3.12Å; P297-V325 WeakPolarHBondContact CD-O 3.29Å; P297-V325 HydrophobicContact CG-CB 4.48Å; P297-V325 HydrophobicContact CG-CG1 4.07Å; L298-V325 HydrophobicContact CB-CB 4.29Å; L298-V325 HydrophobicContact CB-CG2 4.15Å; L298-V325 PolarHBondContact O-N 3.41Å; V321-V325 HydrophobicContact CB-CG2 4.29Å; V321-V325 HydrophobicContact CG1-CG2 3.78Å; V321-V325 HydrophobicContact CG2-CG2 4.12Å; K323-V325 PolarHBondContact O-N 3.27Å; V325-L327 HydrophobicContact CG1-CD2 3.7Å; V325-L327 HydrophobicContact CG1-CG 3.97Å; V325-F363 HydrophobicContact CG1-CE2 3.79Å; V325-F363 HydrophobicContact CG1-CZ 3.84Å; V325-R373 HydrophobicContact CG1-CG 3.95Å; V325-R373 HydrophobicContact CG2-CB 4.43Å; V325-R373 HydrophobicContact CG2-CG 3.98Å
326	Y	98.1	Very high	96.5	Very high	59 Å²	59	48.2 Å²	48.2	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.2	169	-66.9	-88.6	0	0	0	109.9	N55 S56 T294 V295 N296 D324 R373	N55-Y326 HydrophobicContact CB-CD1 3.49Å; N55-Y326 VanDerWaalsContact CB-CD1 3.49Å; N55-Y326 HydrophobicContact CB-CD2 3.86Å; N55-Y326 HydrophobicContact CB-CE1 3.95Å; N55-Y326 HydrophobicContact CB-CE2 4.29Å; N55-Y326 HydrophobicContact CB-CG 3.42Å; N55-Y326 VanDerWaalsContact CB-CG 3.42Å; S56-Y326 WeakPolarHBondContact CB-O 3.35Å; T294-Y326 HydrophobicContact CG2-CD1 4.1Å; V295-Y326 WeakPolarHBondContact O-CA 3.39Å; N296-Y326 HydrophobicContact CB-CD1 3.9Å; N296-Y326 HydrophobicContact CB-CE1 3.78Å; D324-Y326 HydrophobicContact CB-CD2 4.33Å; D324-Y326 HydrophobicContact CB-CE2 3.72Å; Y326-R373 PolarHBondContact O-NH2 2.82Å
327	L	97.9	Very high	96.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.6	177.7	-46.2	174.1	0	0	0	108.5	T294 V295 P297 V325 I329 L337 F363 E371	T294-L327 CarbonylContact C-O 3.55Å; T294-L327 VanDerWaalsContact CA-O 3.31Å; T294-L327 WeakPolarHBondContact CA-O 3.5Å; V295-L327 HydrophobicContact CG2-CB 3.9Å; V295-L327 HydrophobicContact CG2-CD1 4.44Å; V295-L327 PolarHBondContact N-O 3.44Å; V295-L327 PolarHBondContact O-N 2.96Å; P297-L327 HydrophobicContact CG-CD1 3.78Å; P297-L327 HydrophobicContact CG-CG 4.21Å; V325-L327 HydrophobicContact CG1-CD2 3.7Å; V325-L327 HydrophobicContact CG1-CG 3.97Å; L327-I329 HydrophobicContact CB-CG2 4.4Å; L327-L337 HydrophobicContact CD1-CD1 4.5Å; L327-L337 HydrophobicContact CD1-CD2 3.82Å; L327-F363 HydrophobicContact CD1-CB 3.82Å; L327-F363 HydrophobicContact CD1-CD1 3.52Å; L327-F363 HydrophobicContact CD1-CD2 3.89Å; L327-F363 HydrophobicContact CD1-CE1 4.01Å; L327-F363 HydrophobicContact CD1-CE2 4.34Å; L327-F363 HydrophobicContact CD1-CG 3.45Å; L327-F363 VanDerWaalsContact CD1-CG 3.45Å; L327-F363 HydrophobicContact CD1-CZ 4.39Å; L327-F363 HydrophobicContact CD2-CD2 4.03Å; L327-F363 HydrophobicContact CD2-CE2 4.38Å; L327-F363 HydrophobicContact CD2-CG 4.38Å; L327-E371 HydrophobicContact CD2-CB 3.64Å; L327-E371 HydrophobicContact CD2-CG 3.77Å
328	T	97.8	Very high	96.4	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	171.3	-56	0	0	0	0	108.8	D53 S56 L60 M262 F292 E293 T294	D53-T328 HydrophobicContact CB-CG2 4.28Å; D53-T328 WeakPolarHBondContact CB-OG1 3.38Å; S56-T328 WeakPolarHBondContact CB-OG1 3.43Å; S56-T328 PolarHBondContact OG-OG1 2.77Å; L60-T328 HydrophobicContact CD1-CG2 4.12Å; L60-T328 HydrophobicContact CD2-CG2 4.36Å; L60-T328 HydrophobicContact CG-CG2 4.3Å; M262-T328 HydrophobicContact CE-CG2 4.25Å; F292-T328 HydrophobicContact CB-CG2 3.91Å; F292-T328 HydrophobicContact CD1-CG2 4.17Å; F292-T328 HydrophobicContact CG-CG2 4.38Å; E293-T328 WeakPolarHBondContact O-CA 3.3Å; T294-T328 PolarHBondContact OG1-OG1 3.02Å
329	I	96.3	Very high	96.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	163.5	-174.1	62	175.8	0	0	0	110	F292 E293 V295 L327 R331 R333 M334 L365 I370	F292-I329 VanDerWaalsContact CA-O 3.31Å; F292-I329 WeakPolarHBondContact CA-O 3.3Å; E293-I329 HydrophobicContact CG-CD1 4.28Å; E293-I329 HydrophobicContact CG-CG1 3.74Å; E293-I329 PolarHBondContact N-O 2.96Å; E293-I329 PolarHBondContact O-N 2.82Å; V295-I329 HydrophobicContact CG1-CD1 4.08Å; V295-I329 HydrophobicContact CG2-CD1 4.2Å; L327-I329 HydrophobicContact CB-CG2 4.4Å; I329-R331 PolarHBondContact O-N 3.25Å; I329-R333 HydrophobicContact CD1-CB 4.39Å; I329-M334 HydrophobicContact CD1-CB 4.2Å; I329-L365 HydrophobicContact CB-CD1 4.13Å; I329-L365 HydrophobicContact CG2-CD1 4.14Å; I329-I370 HydrophobicContact CG2-CD1 3.61Å
330	P	95.6	Very high	96.3	Very high	46 Å²	46	53.5 Å²	53.5	30%	0.299	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	137.3	170.8	-21	32.6	0	0	0	110.6	F291 G332 R333	F291-P330 CarbonylContact O-C 3.54Å; F291-P330 WeakPolarHBondContact O-CA 3.37Å; P330-G332 PolarHBondContact O-N 3.08Å; P330-R333 HydrophobicContact CB-CG 3.86Å; P330-R333 HydrophobicContact CG-CG 4.44Å; P330-R333 VanDerWaalsContact O-CB 3.26Å; P330-R333 WeakPolarHBondContact O-CB 3.38Å; P330-R333 WeakPolarHBondContact O-CG 3.49Å; P330-R333 PolarHBondContact O-N 3.17Å
331	R	94.4	Very high	96.3	Very high	102 Å²	102	57.2 Å²	57.2	39%	0.385	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	135.8	-175	-175.9	172.6	-76	-100.1	13	111.1	E259 F289 R290 F291 F292 E293 I329 R333	E259-R331 IonicContact OE1-CZ 3.48Å; E259-R331 IonicContact OE1-NH1 3.13Å; E259-R331 IonicContact OE1-NH2 2.61Å; E259-R331 PolarHBondContact OE1-NH2 3.2Å; F289-R331 PolarHBondContact O-NE 3.09Å; F289-R331 PolarHBondContact O-NH2 2.82Å; R290-R331 WeakPolarHBondContact O-CD 3.3Å; F291-R331 PolarHBondContact O-N 3.14Å; F292-R331 PolarHBondContact O-NE 3.48Å; F292-R331 PolarHBondContact O-NH2 3.01Å; E293-R331 HydrophobicContact CB-CG 4.49Å; I329-R331 PolarHBondContact O-N 3.25Å; R331-R333 VanDerWaalsContact C-N 3.33Å
332	G	93.2	Very high	96.3	Very high	45 Å²	45	60.8 Å²	60.8	46%	0.464	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	2.5	-178.8	0	0	0	0	0	114.9	E293 P330	E293-G332 VanDerWaalsContact CD-N 3.31Å; E293-G332 PolarHBondContact OE1-N 3.09Å; E293-G332 VanDerWaalsContact OE1-N 3.08Å; E293-G332 PolarHBondContact OE2-N 3.19Å; P330-G332 PolarHBondContact O-N 3.08Å
333	R	94.3	Very high	96.3	Very high	10 Å²	10	59.1 Å²	59.1	4%	0.038	30%	0.302	C	S	.	.			trans	-95.5	-2.6	179	-58.8	-57.8	-55.3	-74	-9.2	113.9	K35 E293 I329 P330 R331 K335 D336 L337 L365 D366	K35-R333 WeakPolarHBondContact O-CD 3.26Å; K35-R333 PolarHBondContact O-NH1 2.68Å; E293-R333 PolarHBondContact OE1-N 2.73Å; I329-R333 HydrophobicContact CD1-CB 4.39Å; P330-R333 HydrophobicContact CB-CG 3.86Å; P330-R333 HydrophobicContact CG-CG 4.44Å; P330-R333 VanDerWaalsContact O-CB 3.26Å; P330-R333 WeakPolarHBondContact O-CB 3.38Å; P330-R333 WeakPolarHBondContact O-CG 3.49Å; P330-R333 PolarHBondContact O-N 3.17Å; R331-R333 VanDerWaalsContact C-N 3.33Å; R333-K335 VanDerWaalsContact C-N 3.25Å; R333-K335 PolarHBondContact O-N 2.67Å; R333-K335 VanDerWaalsContact O-N 3.15Å; R333-D336 IonicContact CZ-OD2 2.91Å; R333-D336 IonicContact NE-OD2 2.73Å; R333-D336 PolarHBondContact NE-OD2 2.86Å; R333-D336 IonicContact NH2-OD2 2.73Å; R333-D336 WeakPolarHBondContact O-CB 3.19Å; R333-D336 PolarHBondContact O-N 3.47Å; R333-L337 PolarHBondContact O-N 3.04Å; R333-L365 HydrophobicContact CB-CD1 4.12Å; R333-L365 HydrophobicContact CB-CD2 4.07Å; R333-D366 IonicContact CZ-OD1 3.35Å; R333-D366 IonicContact CZ-OD2 3.81Å; R333-D366 VanDerWaalsContact CZ-OD2 3.29Å; R333-D366 IonicContact NH1-OD1 3.82Å; R333-D366 IonicContact NH1-OD2 3.69Å; R333-D366 PolarHBondContact NH1-OD2 2.91Å; R333-D366 IonicContact NH2-OD1 3.91Å; R333-D366 PolarHBondContact NH2-OD1 2.9Å; R333-D366 IonicContact NH2-OD2 3.87Å; R333-D366 PolarHBondContact NH2-OD2 3.32Å
334	M	93.6	Very high	96.4	Very high	120 Å²	120	56.6 Å²	56.6	59%	0.591	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-50	-42.1	179.1	-178.5	-179.7	77.2	0	0	113.9	E293 V295 I329 D336 L337	E293-M334 WeakPolarHBondContact OE1-CB 3.17Å; E293-M334 PolarHBondContact OE1-N 2.91Å; E293-M334 VanDerWaalsContact OE1-N 3.09Å; V295-M334 HydrophobicContact CG1-CB 4.04Å; V295-M334 HydrophobicContact CG1-CG 3.77Å; V295-M334 HydrophobicContact CG1-SD 3.84Å; I329-M334 HydrophobicContact CD1-CB 4.2Å; M334-D336 PolarHBondContact O-N 2.95Å; M334-L337 VanDerWaalsContact O-CB 3.26Å; M334-L337 WeakPolarHBondContact O-CB 3.45Å; M334-L337 PolarHBondContact O-N 3.12Å
335	K	94.3	Very high	96.4	Very high	146 Å²	146	57.9 Å²	57.9	64%	0.635	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-67.4	-22.2	179.7	63.4	-179.5	178.4	-176.2	0	114.1	R333	R333-K335 VanDerWaalsContact C-N 3.25Å; R333-K335 PolarHBondContact O-N 2.67Å; R333-K335 VanDerWaalsContact O-N 3.15Å
336	D	95.2	Very high	96.1	Very high	43 Å²	43	63.6 Å²	63.6	23%	0.23	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-91.1	-10.4	-179.8	-55.9	-34.3	0	0	0	111.3	R333 M334 K338 L365	R333-D336 IonicContact CZ-OD2 2.91Å; R333-D336 IonicContact NE-OD2 2.73Å; R333-D336 PolarHBondContact NE-OD2 2.86Å; R333-D336 IonicContact NH2-OD2 2.73Å; R333-D336 WeakPolarHBondContact O-CB 3.19Å; R333-D336 PolarHBondContact O-N 3.47Å; M334-D336 PolarHBondContact O-N 2.95Å; D336-K338 PolarHBondContact O-N 3.1Å; D336-L365 HydrophobicContact CB-CD2 3.92Å
337	L	95.7	Very high	95.9	Very high	29 Å²	29	62.4 Å²	62.4	15%	0.152	35%	0.345	C	S	.	.			trans	-67	124.2	179	-170	71.1	0	0	0	110.3	V295 L327 R333 M334 F363 Q364 L365 I370	V295-L337 HydrophobicContact CG2-CD2 4.09Å; L327-L337 HydrophobicContact CD1-CD1 4.5Å; L327-L337 HydrophobicContact CD1-CD2 3.82Å; R333-L337 PolarHBondContact O-N 3.04Å; M334-L337 VanDerWaalsContact O-CB 3.26Å; M334-L337 WeakPolarHBondContact O-CB 3.45Å; M334-L337 PolarHBondContact O-N 3.12Å; L337-F363 HydrophobicContact CD1-CB 4.26Å; L337-F363 HydrophobicContact CD2-CD1 4.4Å; L337-Q364 WeakPolarHBondContact CA-O 3.41Å; L337-L365 HydrophobicContact CB-CD2 4.29Å; L337-L365 HydrophobicContact CD1-CD2 4.28Å; L337-L365 HydrophobicContact CD1-CG 4.06Å; L337-I370 HydrophobicContact CD1-CD1 3.85Å
338	K	96.8	Very high	95.9	Very high	128 Å²	128	62.8 Å²	62.8	56%	0.557	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	148	173.5	-56.7	-57.7	177.7	-169.6	0	110.2	D336 F363 Q364	D336-K338 PolarHBondContact O-N 3.1Å; K338-F363 CarbonylContact O-C 3.57Å; K338-F363 WeakPolarHBondContact O-CA 3.32Å; K338-Q364 HydrophobicContact CB-CB 4.41Å; K338-Q364 PolarHBondContact N-O 3.49Å; K338-Q364 PolarHBondContact O-N 2.76Å
339	A	97	Very high	95.8	Very high	50 Å²	50	66.4 Å²	66.4	41%	0.413	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.2	173.9	0	0	0	0	0	109.3	F304 N362 F363	F304-A339 HydrophobicContact CE2-CB 3.75Å; F304-A339 HydrophobicContact CZ-CB 3.68Å; A339-N362 CarbonylContact C-O 3.5Å; A339-N362 WeakPolarHBondContact CA-O 3.42Å; A339-F363 HydrophobicContact CB-CD1 3.93Å; A339-F363 HydrophobicContact CB-CE1 3.9Å
340	S	97.5	Very high	95.7	Very high	45 Å²	45	66.9 Å²	66.9	32%	0.315	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	173.3	172.5	62.7	0	0	0	0	109.2	I361 N362	S340-I361 CarbonylContact O-C 3.57Å; S340-I361 WeakPolarHBondContact O-CA 3.47Å; S340-N362 PolarHBondContact N-O 2.94Å; S340-N362 PolarHBondContact O-N 3.15Å
341	Y	98.2	Very high	95.8	Very high	79 Å²	79	68.6 Å²	68.6	31%	0.31	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.4	174.2	66.3	-80.7	0	0	0	111.9	F304 A305 E307 L343 T360 L375	F304-Y341 HydrophobicContact CD1-CD1 4.43Å; F304-Y341 AromaticContact CE1-CD1 3.85Å; F304-Y341 HydrophobicContact CE1-CD1 3.85Å; F304-Y341 HydrophobicContact CE1-CG 4.38Å; A305-Y341 HydrophobicContact CB-CD1 4.11Å; A305-Y341 HydrophobicContact CB-CE1 3.63Å; A305-Y341 HydrophobicContact CB-CE2 4.45Å; E307-Y341 HydrophobicContact CG-CE2 4.34Å; E307-Y341 VanDerWaalsContact OE1-CE2 3.27Å; E307-Y341 WeakPolarHBondContact OE1-CE2 3.17Å; E307-Y341 VanDerWaalsContact OE1-CZ 3.28Å; E307-Y341 PolarHBondContact OE1-OH 3.02Å; Y341-L343 HydrophobicContact CD2-CD2 4.37Å; Y341-L343 HydrophobicContact CD2-CG 4.46Å; Y341-L343 HydrophobicContact CE2-CD2 4.38Å; Y341-L343 HydrophobicContact CE2-CG 4.32Å; Y341-T360 CarbonylContact C-O 3.48Å; Y341-T360 WeakPolarHBondContact CA-O 3.45Å; Y341-T360 WeakPolarHBondContact CB-O 3.33Å; Y341-L375 HydrophobicContact CD2-CD2 3.71Å; Y341-L375 HydrophobicContact CE2-CD2 4.49Å; Y341-L375 HydrophobicContact CG-CD2 4.06Å
342	V	98.1	Very high	96	Very high	77 Å²	77	63.9 Å²	63.9	47%	0.467	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143	170.1	-65.2	0	0	0	0	108.7	G359 T360	V342-G359 CarbonylContact O-C 3.6Å; V342-G359 WeakPolarHBondContact O-CA 3.33Å; V342-T360 PolarHBondContact N-O 3.24Å; V342-T360 PolarHBondContact O-N 3.39Å
343	L	98.3	Very high	96.2	Very high	48 Å²	48	68.1 Å²	68.1	25%	0.251	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.2	173.4	-63.6	175.1	0	0	0	110.5	E307 L319 Y341 S345 V358 L375	E307-L343 HydrophobicContact CG-CD1 3.98Å; E307-L343 HydrophobicContact CG-CD2 4.45Å; L319-L343 HydrophobicContact CD1-CD2 4.16Å; Y341-L343 HydrophobicContact CD2-CD2 4.37Å; Y341-L343 HydrophobicContact CD2-CG 4.46Å; Y341-L343 HydrophobicContact CE2-CD2 4.38Å; Y341-L343 HydrophobicContact CE2-CG 4.32Å; L343-S345 WeakPolarHBondContact CB-O 3.38Å; L343-S345 PolarHBondContact O-N 2.92Å; L343-V358 CarbonylContact C-O 3.55Å; L343-V358 WeakPolarHBondContact CA-O 3.34Å; L343-V358 HydrophobicContact CD2-CG2 4.43Å; L343-L375 HydrophobicContact CD2-CD2 4.12Å
344	N	97.7	Very high	96.4	Very high	101 Å²	101	74 Å²	74	54%	0.54	39%	0.394	S	S	.	.	S	Bend	trans	-72.6	-20.8	174.6	-66.6	-14.9	0	0	0	112.1	V358	N344-V358 PolarHBondContact N-O 3.09Å
345	S	95.7	Very high	96.6	Very high	75 Å²	75	71.8 Å²	71.8	52%	0.524	39%	0.385	S	S	.	.	S	Bend	trans	-136.5	153	-178.2	-56.7	0	0	0	0	109.1	L343 E347	L343-S345 WeakPolarHBondContact CB-O 3.38Å; L343-S345 PolarHBondContact O-N 2.92Å; S345-E347 WeakPolarHBondContact CB-O 3.37Å; S345-E347 PolarHBondContact O-N 3.36Å
346	S	92.6	Very high	96.8	Very high	120 Å²	120	68.4 Å²	68.4	84%	0.839	37%	0.371	S	S	*	.	S	Bend	trans	-63.3	-25.7	177.2	51.6	0	0	0	0	112.6
347	E	94	Very high	96.9	Very high	35 Å²	35	70 Å²	70	16%	0.164	38%	0.382	C	S	.	.	S	Bend	trans	-139.5	153.1	-175.6	-70.9	166.9	-161.9	0	0	110.3	S345 H349 H400	S345-E347 WeakPolarHBondContact CB-O 3.37Å; S345-E347 PolarHBondContact O-N 3.36Å; E347-H349 IonicContact OE2-CD2 3.75Å; E347-H349 IonicContact OE2-CE1 2.9Å; E347-H349 IonicContact OE2-NE2 3.67Å; E347-H349 PolarHBondContact OE2-NE2 2.76Å; E347-H400 IonicContact OE1-CD2 3.71Å; E347-H400 IonicContact OE1-CE1 3.53Å; E347-H400 IonicContact OE1-NE2 3.95Å; E347-H400 PolarHBondContact OE1-NE2 3.01Å
348	L	96.7	Very high	97.1	Very high	9 Å²	9	69 Å²	69	5%	0.047	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.3	171.5	-60.9	-178.7	0	0	0	109.4	E307 V309 W310 A317 L319 L352 V358	E307-L348 HydrophobicContact CB-CD1 3.73Å; V309-L348 CarbonylContact C-O 3.57Å; V309-L348 WeakPolarHBondContact CA-O 3.43Å; V309-L348 HydrophobicContact CB-CB 4.42Å; V309-L348 HydrophobicContact CG2-CB 4.04Å; V309-L348 WeakPolarHBondContact CG2-O 3.2Å; W310-L348 PolarHBondContact N-O 3.48Å; A317-L348 HydrophobicContact CB-CD1 3.87Å; L319-L348 HydrophobicContact CD1-CD1 4.38Å; L319-L348 HydrophobicContact CD2-CD1 4.44Å; L348-L352 HydrophobicContact CB-CD1 4.22Å; L348-L352 HydrophobicContact CD1-CD1 4.47Å; L348-V358 HydrophobicContact CD2-CB 3.85Å; L348-V358 HydrophobicContact CD2-CG1 3.93Å
349	H	95.8	Very high	97.1	Very high	86 Å²	86	62.9 Å²	62.9	40%	0.398	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.1	177.9	-64.6	-178.5	0	0	0	109.4	W310 F311 E347 L352	W310-H349 AromaticContact CD1-CD2 3.8Å; F311-H349 HydrophobicContact CD2-CB 4.29Å; F311-H349 AromaticContact CE2-CE1 3.99Å; F311-H349 AromaticContact CE2-ND1 3.92Å; E347-H349 IonicContact OE2-CD2 3.75Å; E347-H349 IonicContact OE2-CE1 2.9Å; E347-H349 IonicContact OE2-NE2 3.67Å; E347-H349 PolarHBondContact OE2-NE2 2.76Å; H349-L352 WeakPolarHBondContact O-CD2 3.32Å
350	A	95.3	Very high	97.2	Very high	11 Å²	11	62.4 Å²	62.4	9%	0.091	34%	0.342	C	S	.	.	S	Bend	trans	-70.8	152.7	171.1	0	0	0	0	0	111.1	W310 G312 I381	W310-A350 PolarHBondContact O-N 2.82Å; G312-A350 VanDerWaalsContact CA-CB 3.48Å; A350-I381 HydrophobicContact CB-CG2 4.24Å
351	P	97.2	Very high	97.2	Very high	81 Å²	81	60.2 Å²	60.2	53%	0.526	33%	0.327	S	S	.	.			cis	-79.4	136.4	2.3	31.6	-33.2	0	0	0	113	I381 E383	P351-I381 CarbonylContact C-O 3.56Å; P351-I381 WeakPolarHBondContact CA-O 3.42Å; P351-E383 HydrophobicContact CB-CG 4.24Å; P351-E383 HydrophobicContact CG-CG 4.27Å
352	L	97.9	Very high	97.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-108.6	119.8	172.6	-64.3	178.3	0	0	0	110.4	V309 A317 L348 H349 V358 V377 E380 I381	V309-L352 HydrophobicContact CG2-CD1 3.58Å; V309-L352 HydrophobicContact CG2-CG 4.21Å; A317-L352 HydrophobicContact CB-CD1 3.95Å; L348-L352 HydrophobicContact CB-CD1 4.22Å; L348-L352 HydrophobicContact CD1-CD1 4.47Å; H349-L352 WeakPolarHBondContact O-CD2 3.32Å; L352-V358 HydrophobicContact CD2-CG1 4.46Å; L352-V377 HydrophobicContact CB-CG1 4.23Å; L352-V377 HydrophobicContact CB-CG2 4.21Å; L352-V377 HydrophobicContact CD1-CG2 4.09Å; L352-E380 WeakPolarHBondContact O-CA 3.5Å; L352-I381 HydrophobicContact CB-CB 4.25Å; L352-I381 HydrophobicContact CD1-CD1 4.28Å; L352-I381 PolarHBondContact N-O 2.91Å; L352-I381 PolarHBondContact O-N 2.81Å
353	Q	98.1	Very high	97.2	Very high	133 Å²	133	53.7 Å²	53.7	62%	0.621	30%	0.295	S	S	*	.			trans	-78.9	149.3	177.2	-65.6	-176.3	14.1	0	0	111.5	N355 Q356	Q353-N355 PolarHBondContact O-N 3.26Å; Q353-Q356 HydrophobicContact CB-CB 4.32Å; Q353-Q356 WeakPolarHBondContact O-CB 3.33Å; Q353-Q356 PolarHBondContact O-N 2.78Å
354	K	98	Very high	97.2	Very high	135 Å²	135	53.9 Å²	53.9	59%	0.587	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	135.1	168.4	-176.2	177.3	-177.4	-178.9	0	110.3	Q356 E380	K354-Q356 PolarHBondContact O-N 3.44Å; K354-E380 HydrophobicContact CB-CB 4.45Å
355	N	98.1	Very high	97	Very high	73 Å²	73	49.6 Å²	49.6	39%	0.39	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	10.9	-174.6	-56.5	-26.2	0	0	0	115.3	D322 Q353 V357 V377	D322-N355 HydrophobicContact CB-CB 4.35Å; Q353-N355 PolarHBondContact O-N 3.26Å; N355-V357 PolarHBondContact O-N 3.41Å; N355-V377 WeakPolarHBondContact CA-O 3.41Å; N355-V377 PolarHBondContact N-O 3.47Å
356	Q	98.3	Very high	96.9	Very high	74 Å²	74	50.8 Å²	50.8	35%	0.346	27%	0.272	S	S	.	.			trans	-60.8	127.1	170.5	179.9	176.7	-22.4	0	0	109.8	Q353 K354 V358 V376 V377	Q353-Q356 HydrophobicContact CB-CB 4.32Å; Q353-Q356 WeakPolarHBondContact O-CB 3.33Å; Q353-Q356 PolarHBondContact O-N 2.78Å; K354-Q356 PolarHBondContact O-N 3.44Å; Q356-V358 HydrophobicContact CG-CG1 4.31Å; Q356-V358 PolarHBondContact O-N 2.88Å; Q356-V376 VanDerWaalsContact O-CA 3.26Å; Q356-V376 WeakPolarHBondContact O-CA 3.5Å; Q356-V377 HydrophobicContact CB-CG2 4.42Å; Q356-V377 PolarHBondContact O-N 2.86Å
357	V	98.5	Very high	96.8	Very high	77 Å²	77	48.3 Å²	48.3	47%	0.467	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.9	176.6	-178.1	0	0	0	0	109.2	N355 P374 V376	N355-V357 PolarHBondContact O-N 3.41Å; V357-P374 HydrophobicContact CG1-CB 4.14Å; V357-P374 HydrophobicContact CG2-CB 4.17Å; V357-V376 HydrophobicContact CG2-CG1 4.01Å
358	V	98.6	Very high	96.9	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-4	-179.1	-66.2	0	0	0	0	112.9	L319 L343 N344 L348 L352 Q356 L375 V377	L319-V358 HydrophobicContact CD1-CG2 4.17Å; L319-V358 HydrophobicContact CD2-CG2 3.78Å; L343-V358 CarbonylContact C-O 3.55Å; L343-V358 WeakPolarHBondContact CA-O 3.34Å; L343-V358 HydrophobicContact CD2-CG2 4.43Å; N344-V358 PolarHBondContact N-O 3.09Å; L348-V358 HydrophobicContact CD2-CB 3.85Å; L348-V358 HydrophobicContact CD2-CG1 3.93Å; L352-V358 HydrophobicContact CD2-CG1 4.46Å; Q356-V358 HydrophobicContact CG-CG1 4.31Å; Q356-V358 PolarHBondContact O-N 2.88Å; V358-L375 HydrophobicContact CG2-CG 4.48Å; V358-L375 PolarHBondContact N-O 3Å; V358-V377 HydrophobicContact CG1-CG2 3.68Å; V358-V377 HydrophobicContact CG2-CG2 4.22Å
359	G	98.4	Very high	96.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-162.9	-178.1	0	0	0	0	0	113.6	V342 L375	V342-G359 CarbonylContact O-C 3.6Å; V342-G359 WeakPolarHBondContact O-CA 3.33Å; G359-L375 PolarHBondContact N-O 3.16Å; G359-L375 PolarHBondContact O-N 3.02Å
360	T	98.6	Very high	96.8	Very high	39 Å²	39	54.6 Å²	54.6	24%	0.239	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.1	178.7	-60.2	0	0	0	0	110.5	Y341 V342 Q372 R373	Y341-T360 CarbonylContact C-O 3.48Å; Y341-T360 WeakPolarHBondContact CA-O 3.45Å; Y341-T360 WeakPolarHBondContact CB-O 3.33Å; V342-T360 PolarHBondContact N-O 3.24Å; V342-T360 PolarHBondContact O-N 3.39Å; T360-Q372 HydrophobicContact CG2-CB 3.83Å; T360-Q372 HydrophobicContact CG2-CG 4.15Å; T360-R373 CarbonylContact C-O 3.53Å; T360-R373 WeakPolarHBondContact CA-O 3.33Å
361	I	98.4	Very high	96.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.7	167.8	-53.9	177.2	0	0	0	108.5	L298 F304 V321 S340 F363 Q372 R373 L375	L298-I361 HydrophobicContact CD2-CD1 3.68Å; F304-I361 HydrophobicContact CD1-CD1 3.96Å; F304-I361 HydrophobicContact CD1-CG1 4.15Å; F304-I361 HydrophobicContact CE1-CD1 4.33Å; F304-I361 HydrophobicContact CE1-CG1 4.16Å; F304-I361 HydrophobicContact CE1-CG2 4Å; F304-I361 HydrophobicContact CE2-CG2 4.49Å; F304-I361 HydrophobicContact CG-CD1 4.18Å; F304-I361 HydrophobicContact CZ-CG2 3.92Å; V321-I361 HydrophobicContact CG1-CD1 3.7Å; S340-I361 CarbonylContact O-C 3.57Å; S340-I361 WeakPolarHBondContact O-CA 3.47Å; I361-F363 HydrophobicContact CB-CE2 4.32Å; I361-F363 HydrophobicContact CG2-CD2 4.24Å; I361-F363 HydrophobicContact CG2-CE1 4.29Å; I361-F363 HydrophobicContact CG2-CE2 3.62Å; I361-F363 HydrophobicContact CG2-CZ 3.66Å; I361-Q372 CarbonylContact O-C 3.34Å; I361-Q372 VanDerWaalsContact O-CA 3.24Å; I361-Q372 WeakPolarHBondContact O-CA 3.42Å; I361-R373 PolarHBondContact N-O 2.76Å; I361-R373 PolarHBondContact O-N 3.43Å; I361-L375 HydrophobicContact CD1-CD1 3.84Å; I361-L375 HydrophobicContact CG1-CB 4.03Å; I361-L375 HydrophobicContact CG1-CD1 3.74Å; I361-L375 HydrophobicContact CG1-CG 4.45Å
362	N	98.1	Very high	96.9	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.2	175.9	-58	-63.2	0	0	0	109.8	A339 S340 T369 Q372	A339-N362 CarbonylContact C-O 3.5Å; A339-N362 WeakPolarHBondContact CA-O 3.42Å; S340-N362 PolarHBondContact N-O 2.94Å; S340-N362 PolarHBondContact O-N 3.15Å; N362-T369 HydrophobicContact CB-CG2 4.15Å; N362-Q372 WeakPolarHBondContact OD1-CG 3.41Å; N362-Q372 PolarHBondContact OD1-NE2 3.21Å
363	F	97.8	Very high	96.9	Very high	3 Å²	3	60 Å²	60	1%	0.013	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.5	171	-63.5	-83.4	0	0	0	109.7	P297 V325 L327 L337 K338 A339 I361 T369 I370 E371 R373	P297-F363 HydrophobicContact CB-CE1 4.11Å; P297-F363 HydrophobicContact CG-CD1 4.38Å; P297-F363 HydrophobicContact CG-CE1 3.67Å; P297-F363 HydrophobicContact CG-CZ 4.04Å; V325-F363 HydrophobicContact CG1-CE2 3.79Å; V325-F363 HydrophobicContact CG1-CZ 3.84Å; L327-F363 HydrophobicContact CD1-CB 3.82Å; L327-F363 HydrophobicContact CD1-CD1 3.52Å; L327-F363 HydrophobicContact CD1-CD2 3.89Å; L327-F363 HydrophobicContact CD1-CE1 4.01Å; L327-F363 HydrophobicContact CD1-CE2 4.34Å; L327-F363 HydrophobicContact CD1-CG 3.45Å; L327-F363 VanDerWaalsContact CD1-CG 3.45Å; L327-F363 HydrophobicContact CD1-CZ 4.39Å; L327-F363 HydrophobicContact CD2-CD2 4.03Å; L327-F363 HydrophobicContact CD2-CE2 4.38Å; L327-F363 HydrophobicContact CD2-CG 4.38Å; L337-F363 HydrophobicContact CD1-CB 4.26Å; L337-F363 HydrophobicContact CD2-CD1 4.4Å; K338-F363 CarbonylContact O-C 3.57Å; K338-F363 WeakPolarHBondContact O-CA 3.32Å; A339-F363 HydrophobicContact CB-CD1 3.93Å; A339-F363 HydrophobicContact CB-CE1 3.9Å; I361-F363 HydrophobicContact CB-CE2 4.32Å; I361-F363 HydrophobicContact CG2-CD2 4.24Å; I361-F363 HydrophobicContact CG2-CE1 4.29Å; I361-F363 HydrophobicContact CG2-CE2 3.62Å; I361-F363 HydrophobicContact CG2-CZ 3.66Å; F363-T369 CarbonylContact O-C 3.6Å; F363-T369 WeakPolarHBondContact O-CA 3.29Å; F363-I370 HydrophobicContact CB-CG1 4.45Å; F363-I370 VanDerWaalsContact O-CG1 3.3Å; F363-I370 WeakPolarHBondContact O-CG1 3.35Å; F363-I370 PolarHBondContact O-N 3.45Å; F363-E371 HydrophobicContact CB-CB 4.34Å; F363-E371 HydrophobicContact CD2-CB 4.45Å; F363-E371 PolarHBondContact N-O 2.61Å; F363-E371 PolarHBondContact O-N 3.48Å; F363-R373 HydrophobicContact CE2-CB 4.46Å; F363-R373 HydrophobicContact CE2-CG 4.03Å
364	Q	97.1	Very high	96.9	Very high	53 Å²	53	56.7 Å²	56.7	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.9	-170.9	-61.8	-179.2	-21.5	0	0	112.2	L337 K338 K368 T369	L337-Q364 WeakPolarHBondContact CA-O 3.41Å; K338-Q364 HydrophobicContact CB-CB 4.41Å; K338-Q364 PolarHBondContact N-O 3.49Å; K338-Q364 PolarHBondContact O-N 2.76Å; Q364-K368 VanDerWaalsContact CA-O 3.22Å; Q364-K368 WeakPolarHBondContact CA-O 3.28Å; Q364-T369 PolarHBondContact NE2-OG1 3.03Å
365	L	94.5	Very high	96.9	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135	162.5	-78.6	176.7	0	0	0	108.1	I329 R333 D336 L337 G367 K368 I370	I329-L365 HydrophobicContact CB-CD1 4.13Å; I329-L365 HydrophobicContact CG2-CD1 4.14Å; R333-L365 HydrophobicContact CB-CD1 4.12Å; R333-L365 HydrophobicContact CB-CD2 4.07Å; D336-L365 HydrophobicContact CB-CD2 3.92Å; L337-L365 HydrophobicContact CB-CD2 4.29Å; L337-L365 HydrophobicContact CD1-CD2 4.28Å; L337-L365 HydrophobicContact CD1-CG 4.06Å; L365-G367 PolarHBondContact O-N 3.1Å; L365-K368 PolarHBondContact N-O 2.73Å; L365-K368 PolarHBondContact O-N 3.46Å; L365-I370 HydrophobicContact CB-CG2 4.2Å; L365-I370 HydrophobicContact CD1-CD1 3.87Å; L365-I370 HydrophobicContact CG-CD1 3.98Å
366	D	92.4	Very high	96.9	Very high	99 Å²	99	46.8 Å²	46.8	53%	0.529	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	38.7	178.2	-53.2	-45.5	0	0	0	113	R333 K368	R333-D366 IonicContact CZ-OD1 3.35Å; R333-D366 IonicContact CZ-OD2 3.81Å; R333-D366 VanDerWaalsContact CZ-OD2 3.29Å; R333-D366 IonicContact NH1-OD1 3.82Å; R333-D366 IonicContact NH1-OD2 3.69Å; R333-D366 PolarHBondContact NH1-OD2 2.91Å; R333-D366 IonicContact NH2-OD1 3.91Å; R333-D366 PolarHBondContact NH2-OD1 2.9Å; R333-D366 IonicContact NH2-OD2 3.87Å; R333-D366 PolarHBondContact NH2-OD2 3.32Å; D366-K368 PolarHBondContact O-N 3.01Å
367	G	92.1	Very high	96.9	Very high	68 Å²	68	43.2 Å²	43.2	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	-2.5	-178.5	0	0	0	0	0	115.2	L365	L365-G367 PolarHBondContact O-N 3.1Å
368	K	94.9	Very high	96.9	Very high	157 Å²	157	40.5 Å²	40.5	68%	0.683	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.8	178.5	-174.9	173.8	179.2	174.6	0	110.7	Q364 L365 D366 I370	Q364-K368 VanDerWaalsContact CA-O 3.22Å; Q364-K368 WeakPolarHBondContact CA-O 3.28Å; L365-K368 PolarHBondContact N-O 2.73Å; L365-K368 PolarHBondContact O-N 3.46Å; D366-K368 PolarHBondContact O-N 3.01Å; K368-I370 PolarHBondContact O-N 2.8Å
369	T	96.2	Very high	96.9	Very high	54 Å²	54	46.6 Å²	46.6	33%	0.331	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	121.5	170.6	-57	0	0	0	0	109.9	N362 F363 Q364 Q372	N362-T369 HydrophobicContact CB-CG2 4.15Å; F363-T369 CarbonylContact O-C 3.6Å; F363-T369 WeakPolarHBondContact O-CA 3.29Å; Q364-T369 PolarHBondContact NE2-OG1 3.03Å; T369-Q372 HydrophobicContact CG2-CG 3.73Å
370	I	95.4	Very high	96.8	Very high	52 Å²	52	52.9 Å²	52.9	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-26.4	-179.8	57.6	162.9	0	0	0	112.7	I329 L337 F363 L365 K368	I329-I370 HydrophobicContact CG2-CD1 3.61Å; L337-I370 HydrophobicContact CD1-CD1 3.85Å; F363-I370 HydrophobicContact CB-CG1 4.45Å; F363-I370 VanDerWaalsContact O-CG1 3.3Å; F363-I370 WeakPolarHBondContact O-CG1 3.35Å; F363-I370 PolarHBondContact O-N 3.45Å; L365-I370 HydrophobicContact CB-CG2 4.2Å; L365-I370 HydrophobicContact CD1-CD1 3.87Å; L365-I370 HydrophobicContact CG-CD1 3.98Å; K368-I370 PolarHBondContact O-N 2.8Å
371	E	96.1	Very high	96.8	Very high	38 Å²	38	51.2 Å²	51.2	18%	0.178	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148	-176.6	-75.7	-63.7	150.2	0	0	110.2	K58 L327 F363 R373	K58-E371 IonicContact NZ-OE1 3.2Å; K58-E371 PolarHBondContact NZ-OE1 3.33Å; L327-E371 HydrophobicContact CD2-CB 3.64Å; L327-E371 HydrophobicContact CD2-CG 3.77Å; F363-E371 HydrophobicContact CB-CB 4.34Å; F363-E371 HydrophobicContact CD2-CB 4.45Å; F363-E371 PolarHBondContact N-O 2.61Å; F363-E371 PolarHBondContact O-N 3.48Å; E371-R373 IonicContact OE2-CZ 2.68Å; E371-R373 IonicContact OE2-NH1 3.12Å; E371-R373 PolarHBondContact OE2-NH1 3.21Å; E371-R373 IonicContact OE2-NH2 3.39Å; E371-R373 PolarHBondContact OE2-NH2 3.14Å; E371-R373 VanDerWaalsContact OE2-NH2 3.12Å
372	Q	97.4	Very high	96.7	Very high	114 Å²	114	53.9 Å²	53.9	53%	0.533	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144	176.7	-67.7	-177.7	-57.1	0	0	110.9	T360 I361 N362 T369	T360-Q372 HydrophobicContact CG2-CB 3.83Å; T360-Q372 HydrophobicContact CG2-CG 4.15Å; I361-Q372 CarbonylContact O-C 3.34Å; I361-Q372 VanDerWaalsContact O-CA 3.24Å; I361-Q372 WeakPolarHBondContact O-CA 3.42Å; N362-Q372 WeakPolarHBondContact OD1-CG 3.41Å; N362-Q372 PolarHBondContact OD1-NE2 3.21Å; T369-Q372 HydrophobicContact CG2-CG 3.73Å
373	R	97.6	Very high	96.4	Very high	56 Å²	56	58.3 Å²	58.3	21%	0.211	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.8	176.6	-62.8	-67.6	179.4	-87.2	-1.7	110.4	V325 Y326 T360 I361 F363 E371 L375	V325-R373 HydrophobicContact CG1-CG 3.95Å; V325-R373 HydrophobicContact CG2-CB 4.43Å; V325-R373 HydrophobicContact CG2-CG 3.98Å; Y326-R373 PolarHBondContact O-NH2 2.82Å; T360-R373 CarbonylContact C-O 3.53Å; T360-R373 WeakPolarHBondContact CA-O 3.33Å; I361-R373 PolarHBondContact N-O 2.76Å; I361-R373 PolarHBondContact O-N 3.43Å; F363-R373 HydrophobicContact CE2-CB 4.46Å; F363-R373 HydrophobicContact CE2-CG 4.03Å; E371-R373 IonicContact OE2-CZ 2.68Å; E371-R373 IonicContact OE2-NH1 3.12Å; E371-R373 PolarHBondContact OE2-NH1 3.21Å; E371-R373 IonicContact OE2-NH2 3.39Å; E371-R373 PolarHBondContact OE2-NH2 3.14Å; E371-R373 VanDerWaalsContact OE2-NH2 3.12Å; R373-L375 PolarHBondContact O-N 2.92Å
374	P	98.3	Very high	95.9	Very high	64 Å²	64	58.5 Å²	58.5	42%	0.416	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.5	173.8	-23.1	33.9	0	0	0	111.4	V357 V376	V357-P374 HydrophobicContact CG1-CB 4.14Å; V357-P374 HydrophobicContact CG2-CB 4.17Å; P374-V376 HydrophobicContact CB-CG1 4.33Å
375	L	98.6	Very high	95.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.6	168.8	-176.2	69.7	0	0	0	108	F304 L319 Y341 L343 V358 G359 I361 R373	F304-L375 HydrophobicContact CD1-CD1 4.17Å; L319-L375 HydrophobicContact CB-CD1 3.77Å; L319-L375 HydrophobicContact CB-CD2 4.21Å; L319-L375 HydrophobicContact CB-CG 3.97Å; L319-L375 HydrophobicContact CD1-CD2 3.74Å; L319-L375 HydrophobicContact CD1-CG 4.28Å; Y341-L375 HydrophobicContact CD2-CD2 3.71Å; Y341-L375 HydrophobicContact CE2-CD2 4.49Å; Y341-L375 HydrophobicContact CG-CD2 4.06Å; L343-L375 HydrophobicContact CD2-CD2 4.12Å; V358-L375 HydrophobicContact CG2-CG 4.48Å; V358-L375 PolarHBondContact N-O 3Å; G359-L375 PolarHBondContact N-O 3.16Å; G359-L375 PolarHBondContact O-N 3.02Å; I361-L375 HydrophobicContact CD1-CD1 3.84Å; I361-L375 HydrophobicContact CG1-CB 4.03Å; I361-L375 HydrophobicContact CG1-CD1 3.74Å; I361-L375 HydrophobicContact CG1-CG 4.45Å; R373-L375 PolarHBondContact O-N 2.92Å
376	V	98.6	Very high	94.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.6	-174	-52.4	0	0	0	0	112.7	L319 G320 D322 Q356 V357 P374 L378	L319-V376 CarbonylContact C-O 3.56Å; L319-V376 VanDerWaalsContact CA-O 3.29Å; L319-V376 WeakPolarHBondContact CA-O 3.43Å; G320-V376 PolarHBondContact N-O 3.04Å; G320-V376 PolarHBondContact O-N 2.81Å; D322-V376 HydrophobicContact CB-CG2 4.19Å; Q356-V376 VanDerWaalsContact O-CA 3.26Å; Q356-V376 WeakPolarHBondContact O-CA 3.5Å; V357-V376 HydrophobicContact CG2-CG1 4.01Å; P374-V376 HydrophobicContact CB-CG1 4.33Å; V376-L378 HydrophobicContact CG2-CD2 4.42Å
377	V	98.5	Very high	94	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.2	172.2	177.4	0	0	0	0	110.2	L319 L352 N355 Q356 V358 Q379	L319-V377 HydrophobicContact CD2-CG2 3.96Å; L352-V377 HydrophobicContact CB-CG1 4.23Å; L352-V377 HydrophobicContact CB-CG2 4.21Å; L352-V377 HydrophobicContact CD1-CG2 4.09Å; N355-V377 WeakPolarHBondContact CA-O 3.41Å; N355-V377 PolarHBondContact N-O 3.47Å; Q356-V377 HydrophobicContact CB-CG2 4.42Å; Q356-V377 PolarHBondContact O-N 2.86Å; V358-V377 HydrophobicContact CG1-CG2 3.68Å; V358-V377 HydrophobicContact CG2-CG2 4.22Å; V377-Q379 WeakPolarHBondContact CG1-O 3.3Å
378	L	98.2	Very high	93.3	Very high	19 Å²	19	70.7 Å²	70.7	10%	0.099	35%	0.352	C	S	.	.	S	Bend	trans	-84	-31.4	-176.3	-63.3	-175.9	0	0	0	113.7	E303 S318 V376	E303-L378 HydrophobicContact CB-CD1 4.43Å; S318-L378 WeakPolarHBondContact O-CB 3.43Å; S318-L378 PolarHBondContact O-N 2.91Å; V376-L378 HydrophobicContact CG2-CD2 4.42Å
379	Q	97.5	Very high	92.6	Very high	137 Å²	137	65.8 Å²	65.8	64%	0.64	33%	0.331	S	S	*	.	S	Bend	trans	-128.6	131.3	-178.4	-65.8	177.6	-12.3	0	0	108.7	V377	V377-Q379 WeakPolarHBondContact CG1-O 3.3Å
380	E	97.7	Very high	91.8	Very high	131 Å²	131	67 Å²	67	61%	0.612	33%	0.334	S	S	*	.			trans	-59.3	137.6	176.3	179.2	171.7	-136.3	0	0	110.4	L352 K354	L352-E380 WeakPolarHBondContact O-CA 3.5Å; K354-E380 HydrophobicContact CB-CB 4.45Å
381	I	97.1	Very high	91	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.026	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-122.5	97.7	175.2	-64.1	166.6	0	0	0	107.1	V309 A317 A350 P351 L352	V309-I381 HydrophobicContact CG1-CD1 4.22Å; V309-I381 HydrophobicContact CG1-CG2 4.12Å; A317-I381 VanDerWaalsContact CA-CD1 3.5Å; A317-I381 HydrophobicContact CB-CD1 3.7Å; A350-I381 HydrophobicContact CB-CG2 4.24Å; P351-I381 CarbonylContact C-O 3.56Å; P351-I381 WeakPolarHBondContact CA-O 3.42Å; L352-I381 HydrophobicContact CB-CB 4.25Å; L352-I381 HydrophobicContact CD1-CD1 4.28Å; L352-I381 PolarHBondContact N-O 2.91Å; L352-I381 PolarHBondContact O-N 2.81Å
382	P	96.3	Very high	90.3	Very high	56 Å²	56	67.5 Å²	67.5	36%	0.364	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-68	169.5	173.8	31.1	-35.3	0	0	0	110.5	G312 D313 G384	G312-P382 WeakPolarHBondContact CA-O 3.24Å; D313-P382 HydrophobicContact CB-CG 4.38Å; D313-P382 PolarHBondContact N-O 2.84Å; D313-P382 WeakPolarHBondContact OD1-CD 3.25Å; D313-P382 WeakPolarHBondContact OD2-CG 3.24Å; P382-G384 PolarHBondContact O-N 3.23Å
383	E	93	Very high	89.5	Confident	107 Å²	107	68.9 Å²	68.9	50%	0.5	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-60.1	136.4	171.8	-68.6	-163.6	129.4	0	0	111.5	P351 K389	P351-E383 HydrophobicContact CB-CG 4.24Å; P351-E383 HydrophobicContact CG-CG 4.27Å; E383-K389 IonicContact OE1-NZ 2.86Å; E383-K389 PolarHBondContact OE1-NZ 2.82Å; E383-K389 IonicContact OE2-NZ 2.69Å; E383-K389 PolarHBondContact OE2-NZ 3.1Å
384	G	86.1	Confident	88.7	Confident	8 Å²	8	70.2 Å²	70.2	8%	0.082	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-69.8	163.5	174.5	0	0	0	0	0	112.6	F311 G312 P382 K389	F311-G384 PolarHBondContact O-N 3Å; G312-G384 VanDerWaalsContact C-CA 3.4Å; G312-G384 WeakPolarHBondContact O-CA 3.31Å; P382-G384 PolarHBondContact O-N 3.23Å; G384-K389 WeakPolarHBondContact O-CE 3.47Å
385	N	85.2	Confident	88	Confident	142 Å²	142	71.9 Å²	71.9	76%	0.759	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-63.4	154.3	174	-76.3	-19.9	0	0	0	111.5	F387 G388 K389	N385-F387 VanDerWaalsContact C-N 3.27Å; N385-F387 PolarHBondContact O-N 3.46Å; N385-G388 WeakPolarHBondContact O-CA 3.35Å; N385-G388 PolarHBondContact O-N 3.2Å; N385-K389 PolarHBondContact O-N 2.99Å
386	F	80.4	Confident	87.2	Confident	151 Å²	151	72.8 Å²	72.8	66%	0.662	36%	0.355	S	S	*	.	H	α-helix	trans	-44.8	-44.9	-173.8	-176.3	-99.8	0	0	0	114.5	K389 I390	F386-K389 PolarHBondContact O-N 3.04Å; F386-I390 HydrophobicContact CD1-CD1 3.89Å; F386-I390 HydrophobicContact CE1-CD1 3.38Å; F386-I390 HydrophobicContact CZ-CD1 3.79Å; F386-I390 PolarHBondContact O-N 2.92Å
387	F	79.4	Confident	86.3	Confident	163 Å²	163	76.7 Å²	76.7	72%	0.715	37%	0.374	S	S	*	.	H	α-helix	trans	-66.5	-37.7	178.2	-69.4	-78.4	0	0	0	113.4	N385 I390 I391	N385-F387 VanDerWaalsContact C-N 3.27Å; N385-F387 PolarHBondContact O-N 3.46Å; F387-I390 PolarHBondContact O-N 3.42Å; F387-I391 WeakPolarHBondContact O-CG1 3.11Å; F387-I391 PolarHBondContact O-N 3.1Å; F387-I391 VanDerWaalsContact O-N 3.15Å
388	G	77.4	Confident	85.4	Confident	30 Å²	30	82.1 Å²	82.1	31%	0.309	40%	0.398	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176	0	0	0	0	0	111.3	N385 I390 I391 D392	N385-G388 WeakPolarHBondContact O-CA 3.35Å; N385-G388 PolarHBondContact O-N 3.2Å; G388-I390 VanDerWaalsContact C-N 3.32Å; G388-I390 PolarHBondContact O-N 3.14Å; G388-I391 PolarHBondContact O-N 3.19Å; G388-D392 PolarHBondContact O-N 3.42Å
389	K	79.4	Confident	84.6	Confident	55 Å²	55	86.4 Å²	86.4	24%	0.239	42%	0.417	C	S	.	.	H	α-helix	trans	-61	-37.8	177.1	-61.5	-167.4	-178.1	-177.3	0	113.2	F311 E383 G384 N385 F386 Y393	F311-K389 HydrophobicContact CB-CD 4.36Å; F311-K389 HydrophobicContact CB-CG 4.05Å; F311-K389 HydrophobicContact CD1-CB 4.16Å; E383-K389 IonicContact OE1-NZ 2.86Å; E383-K389 PolarHBondContact OE1-NZ 2.82Å; E383-K389 IonicContact OE2-NZ 2.69Å; E383-K389 PolarHBondContact OE2-NZ 3.1Å; G384-K389 WeakPolarHBondContact O-CE 3.47Å; N385-K389 PolarHBondContact O-N 2.99Å; F386-K389 PolarHBondContact O-N 3.04Å; K389-Y393 WeakPolarHBondContact O-CB 3.5Å; K389-Y393 PolarHBondContact O-N 3.21Å
390	I	78.9	Confident	83.8	Confident	78 Å²	78	85.1 Å²	85.1	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-67.2	-44.3	176.8	-69.8	171.5	0	0	0	111.2	F386 F387 G388 D392 Y393 I394	F386-I390 HydrophobicContact CD1-CD1 3.89Å; F386-I390 HydrophobicContact CE1-CD1 3.38Å; F386-I390 HydrophobicContact CZ-CD1 3.79Å; F386-I390 PolarHBondContact O-N 2.92Å; F387-I390 PolarHBondContact O-N 3.42Å; G388-I390 VanDerWaalsContact C-N 3.32Å; G388-I390 PolarHBondContact O-N 3.14Å; I390-D392 VanDerWaalsContact C-N 3.3Å; I390-D392 PolarHBondContact O-N 3.2Å; I390-Y393 WeakPolarHBondContact O-CB 3.49Å; I390-Y393 PolarHBondContact O-N 3.23Å; I390-I394 HydrophobicContact CG2-CD1 4.14Å; I390-I394 WeakPolarHBondContact O-CG1 3.28Å; I390-I394 PolarHBondContact O-N 3Å
391	I	80.1	Confident	82.8	Confident	90 Å²	90	87.5 Å²	87.5	46%	0.462	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-44.3	178.1	-69.7	170.4	0	0	0	110.1	F387 G388 I394 K395	F387-I391 WeakPolarHBondContact O-CG1 3.11Å; F387-I391 PolarHBondContact O-N 3.1Å; F387-I391 VanDerWaalsContact O-N 3.15Å; G388-I391 PolarHBondContact O-N 3.19Å; I391-I394 PolarHBondContact O-N 2.88Å; I391-K395 HydrophobicContact CG2-CD 4.23Å; I391-K395 WeakPolarHBondContact O-CG 3.19Å; I391-K395 PolarHBondContact O-N 3.1Å
392	D	80.4	Confident	81.7	Confident	12 Å²	12	95.1 Å²	95.1	6%	0.064	45%	0.448	C	S	.	.	H	α-helix	trans	-64.4	-40.6	177.1	-81.4	-2.8	0	0	0	112.4	W310 F311 G388 I390 I394 K395 L396	W310-D392 HydrophobicContact CE3-CB 3.93Å; F311-D392 HydrophobicContact CD1-CB 3.95Å; F311-D392 HydrophobicContact CE1-CB 4.15Å; F311-D392 PolarHBondContact N-OD2 2.99Å; G388-D392 PolarHBondContact O-N 3.42Å; I390-D392 VanDerWaalsContact C-N 3.3Å; I390-D392 PolarHBondContact O-N 3.2Å; D392-I394 VanDerWaalsContact C-N 3.32Å; D392-I394 PolarHBondContact O-N 2.93Å; D392-K395 PolarHBondContact O-N 3Å; D392-K395 IonicContact OD1-NZ 2.71Å; D392-L396 WeakPolarHBondContact O-CB 3.35Å; D392-L396 PolarHBondContact O-N 3.38Å
393	Y	81.6	Confident	79.9	Confident	143 Å²	143	97.5 Å²	97.5	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-57.6	-45.8	174	-177.6	-94	0	0	0	111.8	K389 I390 L396 M397	K389-Y393 WeakPolarHBondContact O-CB 3.5Å; K389-Y393 PolarHBondContact O-N 3.21Å; I390-Y393 WeakPolarHBondContact O-CB 3.49Å; I390-Y393 PolarHBondContact O-N 3.23Å; Y393-L396 PolarHBondContact O-N 2.67Å; Y393-M397 HydrophobicContact CE1-SD 4.41Å; Y393-M397 WeakPolarHBondContact O-CB 3.45Å; Y393-M397 PolarHBondContact O-N 3.07Å
394	I	80.7	Confident	79.2	Confident	83 Å²	83	97 Å²	97	43%	0.426	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-47.5	177.5	-66.5	168.6	0	0	0	110.3	I390 I391 D392 L396 M397 F398	I390-I394 HydrophobicContact CG2-CD1 4.14Å; I390-I394 WeakPolarHBondContact O-CG1 3.28Å; I390-I394 PolarHBondContact O-N 3Å; I391-I394 PolarHBondContact O-N 2.88Å; D392-I394 VanDerWaalsContact C-N 3.32Å; D392-I394 PolarHBondContact O-N 2.93Å; I394-L396 PolarHBondContact O-N 3.31Å; I394-M397 WeakPolarHBondContact O-CB 2.86Å; I394-M397 PolarHBondContact O-N 2.84Å; I394-F398 HydrophobicContact CG2-CD2 3.83Å; I394-F398 HydrophobicContact CG2-CE2 3.8Å; I394-F398 VanDerWaalsContact O-CD2 3.3Å; I394-F398 WeakPolarHBondContact O-CD2 3.19Å; I394-F398 PolarHBondContact O-N 3.17Å
395	K	82.1	Confident	78.9	Confident	100 Å²	100	101.7 Å²	101.7	44%	0.435	50%	0.502	S	S	.	.	H	α-helix	trans	-59.7	-43.4	177.5	-75.2	174.8	-175.6	167.8	0	112	W310 I391 D392 M397 F398 H399	W310-K395 HydrophobicContact CH2-CB 4.05Å; W310-K395 HydrophobicContact CZ3-CB 3.61Å; W310-K395 HydrophobicContact CZ3-CD 4.32Å; I391-K395 HydrophobicContact CG2-CD 4.23Å; I391-K395 WeakPolarHBondContact O-CG 3.19Å; I391-K395 PolarHBondContact O-N 3.1Å; D392-K395 PolarHBondContact O-N 3Å; D392-K395 IonicContact OD1-NZ 2.71Å; K395-M397 VanDerWaalsContact C-N 3.31Å; K395-M397 PolarHBondContact O-N 3.15Å; K395-F398 PolarHBondContact O-N 2.96Å; K395-H399 WeakPolarHBondContact O-CB 3.49Å; K395-H399 PolarHBondContact O-N 3Å
396	L	82	Confident	78.5	Confident	18 Å²	18	99.4 Å²	99.4	9%	0.094	49%	0.488	C	S	.	.	H	α-helix	trans	-58.4	-46.6	177	-149.2	95	0	0	0	110.7	W310 D392 Y393 I394 F398 H399 H400	W310-L396 HydrophobicContact CB-CD1 4.12Å; W310-L396 HydrophobicContact CD2-CD1 3.06Å; W310-L396 HydrophobicContact CD2-CG 4.47Å; W310-L396 HydrophobicContact CE3-CD1 3.52Å; W310-L396 HydrophobicContact CG-CD1 3.33Å; W310-L396 HydrophobicContact CH2-CD1 3.97Å; W310-L396 HydrophobicContact CZ2-CD1 3.59Å; W310-L396 HydrophobicContact CZ3-CB 4.42Å; W310-L396 HydrophobicContact CZ3-CD1 3.95Å; D392-L396 WeakPolarHBondContact O-CB 3.35Å; D392-L396 PolarHBondContact O-N 3.38Å; Y393-L396 PolarHBondContact O-N 2.67Å; I394-L396 PolarHBondContact O-N 3.31Å; L396-F398 PolarHBondContact O-N 3.11Å; L396-H399 WeakPolarHBondContact O-CB 3.42Å; L396-H399 PolarHBondContact O-N 2.89Å; L396-H399 VanDerWaalsContact O-N 3.1Å; L396-H400 VanDerWaalsContact CD2-CE1 3.42Å; L396-H400 WeakPolarHBondContact CD2-CE1 3.38Å; L396-H400 PolarHBondContact O-N 2.8Å
397	M	80.2	Confident	78.4	Confident	82 Å²	82	96.4 Å²	96.4	40%	0.404	48%	0.478	S	S	.	.	H	α-helix	trans	-61	-44.1	-179.9	-130.4	-162.6	68	0	0	111.7	Y393 I394 K395 W401	Y393-M397 HydrophobicContact CE1-SD 4.41Å; Y393-M397 WeakPolarHBondContact O-CB 3.45Å; Y393-M397 PolarHBondContact O-N 3.07Å; I394-M397 WeakPolarHBondContact O-CB 2.86Å; I394-M397 PolarHBondContact O-N 2.84Å; K395-M397 VanDerWaalsContact C-N 3.31Å; K395-M397 PolarHBondContact O-N 3.15Å; M397-W401 HydrophobicContact CE-CE3 3.93Å; M397-W401 HydrophobicContact CE-CH2 4.49Å; M397-W401 HydrophobicContact CE-CZ3 3.65Å; M397-W401 PolarHBondContact O-N 3.41Å
398	F	80.8	Confident	78.3	Confident	114 Å²	114	92.3 Å²	92.3	50%	0.5	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-38.7	173.6	-85	-78.1	0	0	0	112	I394 K395 L396 W401 F402	I394-F398 HydrophobicContact CG2-CD2 3.83Å; I394-F398 HydrophobicContact CG2-CE2 3.8Å; I394-F398 VanDerWaalsContact O-CD2 3.3Å; I394-F398 WeakPolarHBondContact O-CD2 3.19Å; I394-F398 PolarHBondContact O-N 3.17Å; K395-F398 PolarHBondContact O-N 2.96Å; L396-F398 PolarHBondContact O-N 3.11Å; F398-W401 PolarHBondContact O-N 3.2Å; F398-F402 AromaticContact CD1-CD2 3.94Å; F398-F402 HydrophobicContact CD1-CD2 3.94Å; F398-F402 AromaticContact CD1-CE2 3.63Å; F398-F402 HydrophobicContact CD1-CE2 3.63Å; F398-F402 HydrophobicContact CE1-CE2 4.05Å; F398-F402 WeakPolarHBondContact O-CD2 3.47Å; F398-F402 PolarHBondContact O-N 3.43Å; F398-F402 VanDerWaalsContact O-N 3.14Å
399	H	80.1	Confident	78.4	Confident	109 Å²	109	96.4 Å²	96.4	51%	0.505	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-44.2	177.9	-172	42.3	0	0	0	111.8	K395 L396 W401 G403	K395-H399 WeakPolarHBondContact O-CB 3.49Å; K395-H399 PolarHBondContact O-N 3Å; L396-H399 WeakPolarHBondContact O-CB 3.42Å; L396-H399 PolarHBondContact O-N 2.89Å; L396-H399 VanDerWaalsContact O-N 3.1Å; H399-W401 VanDerWaalsContact C-N 3.27Å; H399-W401 PolarHBondContact O-N 3.23Å; H399-G403 WeakPolarHBondContact O-CA 3.41Å; H399-G403 PolarHBondContact O-N 3Å
400	H	80.5	Confident	78.3	Confident	110 Å²	110	99.4 Å²	99.4	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-25.6	175.3	-67.1	158	0	0	0	114	E347 L396	E347-H400 IonicContact OE1-CD2 3.71Å; E347-H400 IonicContact OE1-CE1 3.53Å; E347-H400 IonicContact OE1-NE2 3.95Å; E347-H400 PolarHBondContact OE1-NE2 3.01Å; L396-H400 VanDerWaalsContact CD2-CE1 3.42Å; L396-H400 WeakPolarHBondContact CD2-CE1 3.38Å; L396-H400 PolarHBondContact O-N 2.8Å
401	W	78.2	Confident	78.3	Confident	182 Å²	182	101 Å²	101	69%	0.689	50%	0.497	S	S	*	.	H	α-helix	trans	-84.5	-29	-177.5	-127.6	-17.3	0	0	0	113.7	M397 F398 H399	M397-W401 HydrophobicContact CE-CE3 3.93Å; M397-W401 HydrophobicContact CE-CH2 4.49Å; M397-W401 HydrophobicContact CE-CZ3 3.65Å; M397-W401 PolarHBondContact O-N 3.41Å; F398-W401 PolarHBondContact O-N 3.2Å; H399-W401 VanDerWaalsContact C-N 3.27Å; H399-W401 PolarHBondContact O-N 3.23Å
402	F	72.3	Confident	78.1	Confident	164 Å²	164	101.9 Å²	101.9	72%	0.719	50%	0.5	S	S	*	.	H	α-helix	trans	-123.7	-8.7	-170.6	-64.7	-75.5	0	0	0	114.7	F398	F398-F402 AromaticContact CD1-CD2 3.94Å; F398-F402 HydrophobicContact CD1-CD2 3.94Å; F398-F402 AromaticContact CD1-CE2 3.63Å; F398-F402 HydrophobicContact CD1-CE2 3.63Å; F398-F402 HydrophobicContact CE1-CE2 4.05Å; F398-F402 WeakPolarHBondContact O-CD2 3.47Å; F398-F402 PolarHBondContact O-N 3.43Å; F398-F402 VanDerWaalsContact O-N 3.14Å
403	G	58.9	Low	77.9	Confident	106 Å²	106	110.1 Å²	110.1	100%	1.093	54%	0.54	S	S	*	.			trans	-97.1	0	169.3	0	0	0	0	0	110.9	H399	H399-G403 WeakPolarHBondContact O-CA 3.41Å; H399-G403 PolarHBondContact O-N 3Å

Retrieved 403 of 403 residues in 198.1 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).