A0A087XAV8_POEFO Loading...

Caspase 7, apoptosis-related cysteine peptidase

AlphaFold DB , UniProt , Accession A0A087XAV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 aa.

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(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	39	Very low	38.2	Very low	233 Å²	233	147.3 Å²	147.3	100%	1.148	85%	0.849	S	S	*	*				0	89.9	0	-68.7	173.2	175	0	0	105.7
2	S	38.4	Very low	37.4	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	85%	0.849	S	S	*	*				67.4	114.7	79.3	65.7	0	0	0	0	113.5
3	G	33.8	Very low	36.8	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	84%	0.843	S	S	*	*			trans	108.3	94.4	142.6	0	0	0	0	0	117.9
4	E	39	Very low	37.1	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	84%	0.842	S	S	*	*			trans	-69.1	-175.6	148.7	-112.7	-179.7	171.9	0	0	111.3
5	P	61.4	Low	37.1	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	84%	0.837	S	S	*	*			cis	-144.4	-165.6	-10.3	30.2	-4.7	0	0	0	115.5
6	A	37.6	Very low	36.7	Very low	89 Å²	89	131.6 Å²	131.6	74%	0.736	82%	0.821	S	S	*	*			trans	116.8	137.8	145.6	0	0	0	0	0	116.3
7	E	37.4	Very low	36.5	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	82%	0.82	S	S	*	*			cis	-168.6	152.2	-5.7	-112.3	-169.9	147.4	0	0	110.2
8	L	32.5	Very low	36.2	Very low	145 Å²	145	133.2 Å²	133.2	76%	0.759	82%	0.822	S	S	*	*			trans	40.8	129.7	147.9	-84.7	87.5	0	0	0	124.3
9	S	33	Very low	36	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	82%	0.82	S	S	*	*				-170.2	126.2	97.4	63.1	0	0	0	0	112.9
10	E	33.2	Very low	36	Very low	184 Å²	184	134.7 Å²	134.7	86%	0.86	82%	0.818	S	S	*	*			trans	-70.7	151.5	168.3	-60.9	-178	150.9	0	0	112.2
11	L	34.7	Very low	35.6	Very low	177 Å²	177	136.6 Å²	136.6	93%	0.927	82%	0.815	S	S	*	*			trans	-157.2	121.8	140.2	-96.4	173.9	0	0	0	108.3
12	G	28.6	Very low	35.3	Very low	82 Å²	82	133.2 Å²	133.2	85%	0.845	80%	0.8	S	S	*	*			trans	-79.7	179.8	-173.8	0	0	0	0	0	115.7
13	G	29.3	Very low	34.9	Very low	75 Å²	75	135 Å²	135	77%	0.773	80%	0.796	S	S	*	*			trans	163.2	88	172.8	0	0	0	0	0	111.2
14	D	41.6	Very low	34.9	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	79%	0.792	S	S	*	*			trans	-63.1	140.4	161.4	-176.4	23.3	0	0	0	109.6
15	P	36.5	Very low	34.8	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	79%	0.791	S	S	*	*			trans	-138.5	124.1	139.7	32.9	-16.5	0	0	0	112.9
16	G	30.7	Very low	33.7	Very low	56 Å²	56	134.4 Å²	134.4	58%	0.577	79%	0.792	S	S	*	*				94.2	90	122.7	0	0	0	0	0	115	D18	G16-D18 PolarHBondContact O-N 2.7Å
17	T	33.4	Very low	34.1	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	79%	0.785	S	S	*	*			trans	-57.8	111.2	151.4	46.9	0	0	0	0	109.2	E19	T17-E19 VanDerWaalsContact C-N 3.31Å; T17-E19 PolarHBondContact O-N 3.14Å
18	D	32.3	Very low	34.8	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	77%	0.769	S	S	*	*			trans	-65.6	90.7	167.5	-80.6	-36.3	0	0	0	109.3	G16 V20	G16-D18 PolarHBondContact O-N 2.7Å; D18-V20 PolarHBondContact O-N 3.24Å; D18-V20 VanDerWaalsContact O-N 3.1Å
19	E	32.6	Very low	36.1	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	77%	0.767	S	S	*	*			trans	-65.9	102.4	158.6	-80	-171.8	158.6	0	0	108	T17 K21	T17-E19 VanDerWaalsContact C-N 3.31Å; T17-E19 PolarHBondContact O-N 3.14Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3.07Å
20	V	34.1	Very low	38.3	Very low	127 Å²	127	128.8 Å²	128.8	77%	0.77	74%	0.741	S	S	*	*			trans	-61.7	95.3	163	179.5	0	0	0	0	107.4	D18 L22	D18-V20 PolarHBondContact O-N 3.24Å; D18-V20 VanDerWaalsContact O-N 3.1Å; V20-L22 PolarHBondContact O-N 3.05Å
21	K	29.6	Very low	40.4	Very low	176 Å²	176	120.8 Å²	120.8	77%	0.765	70%	0.704	S	S	*	*			trans	-62.4	100.7	162	-85	-179.1	175	178.7	0	107.8	E19 E23	E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3.07Å; K21-E23 VanDerWaalsContact C-N 3.31Å; K21-E23 PolarHBondContact O-N 3.46Å
22	L	31.3	Very low	42.5	Very low	161 Å²	161	116.1 Å²	116.1	84%	0.843	68%	0.678	S	S	*	*			trans	-63.5	99	154	-83	148.8	0	0	0	106.6	V20	V20-L22 PolarHBondContact O-N 3.05Å
23	E	30.6	Very low	44.9	Very low	159 Å²	159	113.1 Å²	113.1	74%	0.743	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-60.8	132.9	163.1	-65.8	-116.6	143	0	0	107.7	K21 D25	K21-E23 VanDerWaalsContact C-N 3.31Å; K21-E23 PolarHBondContact O-N 3.46Å; E23-D25 PolarHBondContact O-N 3.23Å
24	P	33.5	Very low	46.7	Very low	116 Å²	116	109.6 Å²	109.6	75%	0.753	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-65.9	124.6	172.4	27.4	-29.7	0	0	0	107.7	A26	P24-A26 PolarHBondContact O-N 3.33Å
25	D	38	Very low	48.1	Very low	159 Å²	159	102.8 Å²	102.8	85%	0.85	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-47	116.5	170.8	-72.9	-38.5	0	0	0	108.4	E23 E27	E23-D25 PolarHBondContact O-N 3.23Å; D25-E27 PolarHBondContact O-N 3.13Å
26	A	37.4	Very low	49.3	Very low	91 Å²	91	103.5 Å²	103.5	75%	0.752	56%	0.563	S	S	*	*			trans	-57.3	111.8	173.3	0	0	0	0	0	107.2	P24 T28	P24-A26 PolarHBondContact O-N 3.33Å; A26-T28 PolarHBondContact O-N 3.38Å
27	E	45.2	Very low	50.2	Low	127 Å²	127	103.8 Å²	103.8	59%	0.593	55%	0.554	S	S	*	*			trans	-57.1	103.8	174.2	-72.2	-170.5	159.9	0	0	107.7	D25 M29	D25-E27 PolarHBondContact O-N 3.13Å; E27-M29 PolarHBondContact O-N 3.32Å
28	T	51.8	Low	50.7	Low	77 Å²	77	102.8 Å²	102.8	47%	0.472	54%	0.544	S	S	.	.			trans	-62.5	111.7	173.9	50.4	0	0	0	0	107.7	A26 E30 P253	A26-T28 PolarHBondContact O-N 3.38Å; T28-E30 PolarHBondContact O-N 3.45Å; T28-P253 WeakPolarHBondContact OG1-CB 3.27Å
29	M	61.8	Low	51.2	Low	146 Å²	146	106 Å²	106	72%	0.719	54%	0.544	S	S	*	.			trans	-75.3	-10.1	-178.3	-72.6	-166.9	148.4	0	0	113.5	E27 W294	E27-M29 PolarHBondContact O-N 3.32Å; M29-W294 HydrophobicContact CB-CE3 4.17Å; M29-W294 HydrophobicContact CB-CZ3 4.16Å
30	E	78.6	Confident	51.6	Low	58 Å²	58	102.4 Å²	102.4	27%	0.271	54%	0.538	S	S	.	.			trans	-75.5	132.2	-178.6	-174.9	163.8	-145.6	0	0	112.3	T28 P253 W294 S295 E296	T28-E30 PolarHBondContact O-N 3.45Å; E30-P253 WeakPolarHBondContact O-CD 3.46Å; E30-W294 HydrophobicContact CB-CE3 4.25Å; E30-W294 HydrophobicContact CB-CZ3 4.05Å; E30-S295 WeakPolarHBondContact OE1-CA 3.38Å; E30-S295 WeakPolarHBondContact OE1-CB 3.13Å; E30-S295 PolarHBondContact OE1-OG 3.42Å; E30-E296 PolarHBondContact OE1-N 3.23Å
31	D	77.1	Confident	51.7	Low	16 Å²	16	100.2 Å²	100.2	9%	0.086	53%	0.533	C	S	.	.			trans	-87.9	142.4	173.1	-68.8	-45.8	0	0	0	111	W250 N252 W258 W294	D31-W250 HydrophobicContact CB-CE3 3.81Å; D31-W250 HydrophobicContact CB-CZ3 4.27Å; D31-N252 WeakPolarHBondContact OD1-CA 3.35Å; D31-N252 WeakPolarHBondContact OD1-CB 3.49Å; D31-N252 PolarHBondContact OD1-ND2 3.42Å; D31-W258 HydrophobicContact CB-CZ2 4.43Å; D31-W258 WeakPolarHBondContact OD2-CZ2 3.35Å; D31-W294 PolarHBondContact N-O 3.16Å; D31-W294 VanDerWaalsContact N-O 3.09Å
32	H	79.6	Confident	51.8	Low	80 Å²	80	104 Å²	104	37%	0.37	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	155	176.7	-60.3	-95.5	0	0	0	110.9	R251 P253	H32-R251 PolarHBondContact N-O 3.45Å; H32-R251 PolarHBondContact O-N 2.94Å; H32-P253 WeakPolarHBondContact CD2-CG 3.49Å; H32-P253 VanDerWaalsContact NE2-CG 3.3Å; H32-P253 WeakPolarHBondContact NE2-CG 3.27Å
33	V	78.6	Confident	51.9	Low	19 Å²	19	101.3 Å²	101.3	12%	0.115	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148	172.8	-67.9	0	0	0	0	111.6	A35 Y248 S249 W250 F300	V33-A35 VanDerWaalsContact CG2-O 3.32Å; V33-A35 WeakPolarHBondContact CG2-O 3.43Å; V33-A35 PolarHBondContact O-N 2.91Å; V33-Y248 HydrophobicContact CB-CD1 3.62Å; V33-Y248 HydrophobicContact CB-CE1 4.26Å; V33-Y248 HydrophobicContact CB-CG 4.11Å; V33-Y248 HydrophobicContact CG1-CD1 3.89Å; V33-Y248 HydrophobicContact CG1-CG 3.84Å; V33-Y248 HydrophobicContact CG2-CD1 3.88Å; V33-Y248 HydrophobicContact CG2-CE1 3.98Å; V33-S249 WeakPolarHBondContact CA-O 3.47Å; V33-W250 HydrophobicContact CG1-CD2 3.82Å; V33-W250 HydrophobicContact CG1-CE3 3.68Å; V33-W250 HydrophobicContact CG1-CH2 3.75Å; V33-W250 HydrophobicContact CG1-CZ2 3.86Å; V33-W250 HydrophobicContact CG1-CZ3 3.67Å; V33-F300 HydrophobicContact CG2-CE1 4.39Å
34	D	67.1	Low	51.8	Low	0 Å²	0	105.4 Å²	105.4	0%	0	53%	0.533	C	S	.	.	S	Bend	trans	-80.9	17.2	174.9	-79.4	-23.8	0	0	0	112.9	R102 H159 Q199 C201 S249 R251	D34-R102 IonicContact OD1-CZ 3.06Å; D34-R102 IonicContact OD1-NE 2.81Å; D34-R102 PolarHBondContact OD1-NE 2.81Å; D34-R102 IonicContact OD1-NH2 3.38Å; D34-R102 IonicContact OD2-CZ 3.67Å; D34-R102 IonicContact OD2-NE 3.71Å; D34-R102 IonicContact OD2-NH2 3.58Å; D34-R102 PolarHBondContact OD2-NH2 3.47Å; D34-R102 VanDerWaalsContact OD2-NH2 3.13Å; D34-H159 PolarHBondContact O-ND1 3.24Å; D34-Q199 PolarHBondContact OD2-NE2 2.93Å; D34-C201 VanDerWaalsContact CA-SG 3.52Å; D34-C201 HydrophobicContact CB-CB 4.49Å; D34-C201 VanDerWaalsContact CB-SG 3.55Å; D34-S249 PolarHBondContact N-O 2.58Å; D34-R251 IonicContact OD1-CZ 2.9Å; D34-R251 VanDerWaalsContact OD1-CZ 3.29Å; D34-R251 IonicContact OD1-NE 3.47Å; D34-R251 PolarHBondContact OD1-NE 2.76Å; D34-R251 IonicContact OD1-NH2 3.37Å; D34-R251 PolarHBondContact OD1-NH2 2.94Å
35	A	71.3	Confident	51.4	Low	13 Å²	13	105.5 Å²	105.5	11%	0.107	53%	0.527	C	S	.	.	S	Bend	trans	-134.4	161.1	172	0	0	0	0	0	110.9	V33 C201 Y248	V33-A35 VanDerWaalsContact CG2-O 3.32Å; V33-A35 WeakPolarHBondContact CG2-O 3.43Å; V33-A35 PolarHBondContact O-N 2.91Å; A35-C201 HydrophobicContact CB-CB 3.58Å; A35-C201 VanDerWaalsContact CB-SG 3.56Å; A35-C201 PolarHBondContact N-SG 2.71Å; A35-Y248 HydrophobicContact CB-CD1 3.76Å; A35-Y248 HydrophobicContact CB-CE1 3.57Å
36	K	60.8	Low	51.1	Low	132 Å²	132	108 Å²	108	57%	0.574	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-75.3	126.6	-177	-170.6	174.8	-176.7	169.8	0	110.5	D38 M99	K36-D38 PolarHBondContact O-N 3.35Å; K36-M99 HydrophobicContact CB-CE 4.16Å
37	P	48.8	Very low	50.6	Low	62 Å²	62	109 Å²	109	40%	0.403	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-70.3	124.6	-176.8	24.5	-31.9	0	0	0	112.6	F300	P37-F300 HydrophobicContact CB-CE1 3.85Å; P37-F300 HydrophobicContact CB-CE2 4.5Å; P37-F300 HydrophobicContact CB-CZ 3.43Å; P37-F300 VanDerWaalsContact CB-CZ 3.43Å; P37-F300 HydrophobicContact CG-CZ 4.49Å
38	D	44.1	Very low	49.9	Very low	113 Å²	113	113.1 Å²	113.1	60%	0.604	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-79.8	142.8	171.1	-168.4	6.5	0	0	0	111.3	K36	K36-D38 PolarHBondContact O-N 3.35Å
39	R	43.1	Very low	48.8	Very low	225 Å²	225	118.4 Å²	118.4	85%	0.849	56%	0.564	S	S	*	*			trans	-95.7	13.1	-166.5	-76	-170	176.8	-162.7	-0.4	115.5
40	S	42	Very low	47.2	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	57%	0.568	S	S	*	*			trans	-120.6	96.3	-177.1	57	0	0	0	0	115
41	A	35	Very low	44.8	Very low	81 Å²	81	124.1 Å²	124.1	67%	0.669	59%	0.591	S	S	*	*			trans	-164.2	139.6	152.4	0	0	0	0	0	111.9
42	R	33.1	Very low	42.5	Very low	255 Å²	255	130.6 Å²	130.6	96%	0.962	63%	0.625	S	S	*	*			trans	-103.4	134.3	-179.2	-76.4	178.8	172.8	175.9	-2.2	110.6
43	F	32	Very low	40.2	Very low	105 Å²	105	130 Å²	130	46%	0.461	64%	0.641	S	S	.	*			trans	-77	155.3	-176.4	-82.8	-86.4	0	0	0	116.2	L45 P298 R299	F43-L45 HydrophobicContact CD1-CD1 3.88Å; F43-L45 HydrophobicContact CD1-CG 4.48Å; F43-L45 HydrophobicContact CE1-CD1 4.38Å; F43-L45 HydrophobicContact CG-CD1 4.39Å; F43-P298 HydrophobicContact CE1-CB 4.35Å; F43-P298 HydrophobicContact CE2-CB 4.43Å; F43-P298 HydrophobicContact CZ-CB 3.83Å; F43-R299 HydrophobicContact CE2-CB 4.49Å; F43-R299 HydrophobicContact CE2-CG 3.32Å; F43-R299 HydrophobicContact CZ-CB 4.22Å; F43-R299 HydrophobicContact CZ-CG 3.48Å; F43-R299 VanDerWaalsContact CZ-CG 3.48Å
44	R	28	Very low	37.9	Very low	245 Å²	245	138 Å²	138	93%	0.925	68%	0.677	S	S	*	*			trans	-137.2	118.4	138	-69.9	-170.5	-177.4	179.2	1.5	109.7
45	L	27.1	Very low	36.2	Very low	118 Å²	118	144.3 Å²	144.3	62%	0.618	72%	0.716	S	S	*	*			trans	-92.9	141.1	173.7	-90.6	118.1	0	0	0	110.9	F43	F43-L45 HydrophobicContact CD1-CD1 3.88Å; F43-L45 HydrophobicContact CD1-CG 4.48Å; F43-L45 HydrophobicContact CE1-CD1 4.38Å; F43-L45 HydrophobicContact CG-CD1 4.39Å
46	F	30.3	Very low	34.3	Very low	212 Å²	212	155.3 Å²	155.3	93%	0.93	75%	0.754	S	S	*	*			trans	-145.3	125.2	146.9	-77.7	-73.2	0	0	0	109.8
47	S	27.7	Very low	33	Very low	110 Å²	110	158.3 Å²	158.3	77%	0.769	77%	0.771	S	S	*	*			trans	-103.3	143	176.2	-167.5	0	0	0	0	109.6
48	K	30.4	Very low	32.3	Very low	215 Å²	215	164 Å²	164	94%	0.935	79%	0.792	S	S	*	*			trans	-159.4	140.1	151.5	-118.5	175.2	-174.9	178.4	0	112.6
49	K	28.4	Very low	31.7	Very low	187 Å²	187	166.5 Å²	166.5	81%	0.813	81%	0.805	S	S	*	*			trans	-114.5	149.8	-166.3	-159.3	-179.5	-164.3	171.3	0	110.3
50	N	28.4	Very low	31.6	Very low	150 Å²	150	163.3 Å²	163.3	80%	0.802	81%	0.805	S	S	*	*			trans	139.9	159	146.1	-78.1	-9.5	0	0	0	111.2
51	K	28.9	Very low	31.6	Very low	174 Å²	174	163.4 Å²	163.4	76%	0.757	81%	0.805	S	S	*	*			cis	-177.5	158.6	-37.4	-154.7	-176.7	-179.8	-173.5	0	103.8
52	D	29.1	Very low	32.3	Very low	152 Å²	152	165.5 Å²	165.5	81%	0.813	82%	0.815	S	S	*	*			trans	87.7	131	167.5	-46.8	-25.3	0	0	0	114.7
53	G	29.8	Very low	33	Very low	67 Å²	67	159.6 Å²	159.6	69%	0.691	80%	0.799	S	S	*	*			cis	127.3	102.4	10.4	0	0	0	0	0	109.1
54	Q	30.5	Very low	34	Very low	188 Å²	188	160.2 Å²	160.2	88%	0.879	82%	0.816	S	S	*	*			trans	-176.7	125.2	145.8	-104.5	169	24.1	0	0	114.2
55	T	30.6	Very low	35.2	Very low	132 Å²	132	155.4 Å²	155.4	81%	0.81	80%	0.804	S	S	*	*			trans	19.3	123	142.6	-13.8	0	0	0	0	119.8
56	R	32.5	Very low	36.9	Very low	245 Å²	245	154.9 Å²	154.9	93%	0.925	81%	0.809	S	S	*	*			trans	-122.5	129.4	161.2	-78.4	-175.8	174.4	178.3	-1.7	110.1
57	E	32.8	Very low	38.9	Very low	195 Å²	195	150.4 Å²	150.4	91%	0.911	79%	0.786	S	S	*	*			trans	-66.7	141	177.3	-69.3	171.7	149.3	0	0	110.8
58	Q	34.1	Very low	41.4	Very low	181 Å²	181	152.2 Å²	152.2	85%	0.846	79%	0.786	S	S	*	*			trans	-78.2	120.2	177.1	-79.4	174.9	-22.2	0	0	109.8
59	D	32.2	Very low	43.9	Very low	165 Å²	165	147 Å²	147	88%	0.882	76%	0.76	S	S	*	*			trans	-108.6	108.8	159.8	-122.2	-17	0	0	0	108.5
60	N	41.1	Very low	46.7	Very low	158 Å²	158	140.8 Å²	140.8	85%	0.845	74%	0.738	S	S	*	*			trans	-90.5	96.6	177.7	-110.8	-16.7	0	0	0	108
61	S	40.8	Very low	49.4	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	73%	0.733	S	S	*	*			trans	-124.6	102	159.3	59.3	0	0	0	0	109	E63	S61-E63 PolarHBondContact O-N 3.2Å
62	S	50.1	Low	52.3	Low	125 Å²	125	135.1 Å²	135.1	87%	0.874	73%	0.726	S	S	*	*			trans	-73.2	77.4	170.9	56.2	0	0	0	0	109.3	S64	S62-S64 PolarHBondContact O-N 2.85Å
63	E	48.2	Very low	55.3	Low	132 Å²	132	133.6 Å²	133.6	62%	0.617	71%	0.712	S	S	*	*			trans	-69.6	107.6	162.8	-76.6	-169	148.4	0	0	107.8	S61 H65	S61-E63 PolarHBondContact O-N 3.2Å; E63-H65 PolarHBondContact O-N 3.22Å; E63-H65 IonicContact OE2-CE1 2.71Å; E63-H65 PolarHBondContact OE2-CE1 3.38Å; E63-H65 IonicContact OE2-NE2 2.71Å; E63-H65 PolarHBondContact OE2-NE2 2.85Å
64	S	52.6	Low	58.4	Low	117 Å²	117	132.2 Å²	132.2	82%	0.818	69%	0.688	S	S	*	*			trans	-70.8	78.2	169.5	68.4	0	0	0	0	108.7	S62 S66	S62-S64 PolarHBondContact O-N 2.85Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.45Å
65	H	53.1	Low	61.6	Low	145 Å²	145	124.1 Å²	124.1	67%	0.671	65%	0.649	S	S	*	*			trans	-67	91.7	169	-65.6	-71.1	0	0	0	108.5	E63 R67	E63-H65 PolarHBondContact O-N 3.22Å; E63-H65 IonicContact OE2-CE1 2.71Å; E63-H65 PolarHBondContact OE2-CE1 3.38Å; E63-H65 IonicContact OE2-NE2 2.71Å; E63-H65 PolarHBondContact OE2-NE2 2.85Å; H65-R67 PolarHBondContact O-N 3.07Å; H65-R67 VanDerWaalsContact O-N 3.13Å
66	S	63.2	Low	64.6	Low	106 Å²	106	123.7 Å²	123.7	74%	0.741	64%	0.636	S	S	*	*			trans	-64.1	113.3	166.8	58.5	0	0	0	0	107.8	S64 I68	S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.45Å; S66-I68 PolarHBondContact O-N 3.36Å
67	R	72.3	Confident	67.6	Low	118 Å²	118	113.3 Å²	113.3	45%	0.445	60%	0.598	S	S	.	*			trans	-64.4	127.9	176.7	-66.6	-176.2	-171.1	167	0.6	109.8	H65 R69 L274	H65-R67 PolarHBondContact O-N 3.07Å; H65-R67 VanDerWaalsContact O-N 3.13Å; R67-R69 PolarHBondContact O-N 2.61Å; R67-L274 VanDerWaalsContact CZ-CD2 3.47Å
68	I	79.8	Confident	70.4	Confident	149 Å²	149	108.6 Å²	108.6	76%	0.764	59%	0.587	S	S	*	*			trans	-68.3	121	176.8	-57.3	174.7	0	0	0	107.6	S66 V70	S66-I68 PolarHBondContact O-N 3.36Å; I68-V70 HydrophobicContact CG2-CG2 4.06Å
69	R	83.3	Confident	73.3	Confident	104 Å²	104	104 Å²	104	39%	0.392	56%	0.562	S	S	.	*			trans	-113.3	115.2	176.8	-80	-171.8	-174.5	-172.5	2.9	108	R67 Q74 Q273	R67-R69 PolarHBondContact O-N 2.61Å; R69-Q74 VanDerWaalsContact CB-NE2 3.25Å; R69-Q273 PolarHBondContact NH2-O 2.87Å
70	V	87.3	Confident	76.3	Confident	57 Å²	57	106.6 Å²	106.6	35%	0.345	56%	0.56	S	S	.	*			trans	-101.8	112.7	-178.3	-175.6	0	0	0	0	109.1	I68 T72 F73	I68-V70 HydrophobicContact CG2-CG2 4.06Å; V70-T72 WeakPolarHBondContact CG1-OG1 3.31Å; V70-T72 PolarHBondContact O-N 3.06Å; V70-T72 VanDerWaalsContact O-N 3.07Å; V70-F73 HydrophobicContact CB-CD2 3.81Å; V70-F73 HydrophobicContact CG1-CD2 3.6Å; V70-F73 HydrophobicContact CG1-CE2 4.07Å; V70-F73 PolarHBondContact O-N 2.95Å
71	P	85.1	Confident	78.9	Confident	108 Å²	108	103.7 Å²	103.7	70%	0.701	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.2	-170.5	-28.7	35.5	0	0	0	115.4	F73 Q74	P71-F73 VanDerWaalsContact C-N 3.29Å; P71-F73 PolarHBondContact O-N 3.17Å; P71-Q74 PolarHBondContact O-N 3.45Å
72	T	89	Confident	81.6	Confident	97 Å²	97	100.6 Å²	100.6	60%	0.595	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-68.4	-29.3	179.9	47.5	0	0	0	0	113.1	V70 Q74	V70-T72 WeakPolarHBondContact CG1-OG1 3.31Å; V70-T72 PolarHBondContact O-N 3.06Å; V70-T72 VanDerWaalsContact O-N 3.07Å; T72-Q74 VanDerWaalsContact C-N 3.32Å
73	F	93.8	Very high	83.9	Confident	121 Å²	121	94.8 Å²	94.8	53%	0.531	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-92.3	11.7	179.9	-63.6	-63.3	0	0	0	112.9	V70 P71 K315 E316	V70-F73 HydrophobicContact CB-CD2 3.81Å; V70-F73 HydrophobicContact CG1-CD2 3.6Å; V70-F73 HydrophobicContact CG1-CE2 4.07Å; V70-F73 PolarHBondContact O-N 2.95Å; P71-F73 VanDerWaalsContact C-N 3.29Å; P71-F73 PolarHBondContact O-N 3.17Å; F73-K315 CarbonylContact O-C 3.51Å; F73-K315 WeakPolarHBondContact O-CA 3.35Å; F73-K315 VanDerWaalsContact O-CB 3.27Å; F73-K315 WeakPolarHBondContact O-CB 3.39Å; F73-E316 WeakPolarHBondContact O-CB 3.32Å; F73-E316 PolarHBondContact O-N 3.21Å
74	Q	95	Very high	86.3	Confident	38 Å²	38	90 Å²	90	18%	0.178	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-111.5	142.6	178.5	-70.7	175	6.9	0	0	112.1	R69 P71 T72 K315 E316 Y318	R69-Q74 VanDerWaalsContact CB-NE2 3.25Å; P71-Q74 PolarHBondContact O-N 3.45Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; Q74-K315 VanDerWaalsContact O-CD 3.27Å; Q74-K315 WeakPolarHBondContact O-CD 3.4Å; Q74-E316 WeakPolarHBondContact CA-O 2.95Å; Q74-E316 HydrophobicContact CG-CB 4.08Å; Q74-E316 PolarHBondContact NE2-OE2 3.22Å; Q74-Y318 HydrophobicContact CG-CD2 4.41Å; Q74-Y318 HydrophobicContact CG-CE2 4.34Å
75	Y	96.4	Very high	88.5	Confident	18 Å²	18	84.5 Å²	84.5	7%	0.071	41%	0.412	C	S	.	.			trans	-63.9	139.3	166.9	-77.1	-72.7	0	0	0	110.2	M77 G191 P193 D236 L313 T314 K315 E316 L317	Y75-M77 PolarHBondContact O-N 3.42Å; Y75-M77 VanDerWaalsContact O-N 3.15Å; Y75-G191 WeakPolarHBondContact CE1-O 3.38Å; Y75-P193 HydrophobicContact CD1-CG 3.82Å; Y75-P193 HydrophobicContact CD2-CG 3.61Å; Y75-P193 HydrophobicContact CE1-CG 4.06Å; Y75-P193 HydrophobicContact CE2-CG 3.83Å; Y75-P193 HydrophobicContact CG-CG 3.59Å; Y75-D236 HydrophobicContact CE1-CB 4.47Å; Y75-D236 WeakPolarHBondContact OH-CB 3.48Å; Y75-D236 PolarHBondContact OH-OD1 2.91Å; Y75-L313 HydrophobicContact CE2-CB 4.18Å; Y75-L313 HydrophobicContact CE2-CD2 4.08Å; Y75-L313 HydrophobicContact CE2-CG 4.49Å; Y75-T314 PolarHBondContact OH-N 3.49Å; Y75-T314 PolarHBondContact OH-OG1 3.45Å; Y75-K315 HydrophobicContact CD1-CB 4.28Å; Y75-K315 HydrophobicContact CD1-CD 4.36Å; Y75-K315 HydrophobicContact CD2-CB 3.62Å; Y75-K315 HydrophobicContact CE1-CB 4.29Å; Y75-K315 HydrophobicContact CE2-CB 3.65Å; Y75-K315 WeakPolarHBondContact CE2-O 3.48Å; Y75-K315 HydrophobicContact CG-CB 3.97Å; Y75-E316 PolarHBondContact N-O 2.7Å; Y75-L317 HydrophobicContact CD2-CB 4.09Å
76	K	94.6	Very high	90.7	Very high	122 Å²	122	77.6 Å²	77.6	53%	0.53	38%	0.38	S	S	.	.			trans	-72.2	109.3	172	-179.3	-176.8	175.5	-173.8	0	108.2	S78 Y79	K76-S78 WeakPolarHBondContact CE-OG 3.5Å; K76-Y79 HydrophobicContact CB-CE2 4.02Å; K76-Y79 HydrophobicContact CD-CE2 3.84Å; K76-Y79 HydrophobicContact CG-CD2 4.3Å; K76-Y79 HydrophobicContact CG-CE2 3.84Å; K76-Y79 WeakPolarHBondContact O-CD2 3.35Å; K76-Y79 WeakPolarHBondContact O-CE2 3.32Å
77	M	95	Very high	92.4	Very high	27 Å²	27	72.5 Å²	72.5	13%	0.133	35%	0.345	C	S	.	.			trans	-103.2	1.9	179.5	-63.6	-64.6	-67.5	0	0	113.8	Y75 Y79 V82 S150 L317 Y318 F319	Y75-M77 PolarHBondContact O-N 3.42Å; Y75-M77 VanDerWaalsContact O-N 3.15Å; M77-Y79 VanDerWaalsContact C-N 3.26Å; M77-Y79 PolarHBondContact O-N 2.81Å; M77-V82 HydrophobicContact CE-CG1 4.28Å; M77-S150 WeakPolarHBondContact CA-OG 3.39Å; M77-S150 PolarHBondContact O-OG 2.65Å; M77-L317 HydrophobicContact CE-CD1 3.8Å; M77-L317 HydrophobicContact CG-CD1 4.11Å; M77-L317 HydrophobicContact SD-CD1 3.45Å; M77-L317 WeakPolarHBondContact SD-CD1 3.49Å; M77-Y318 WeakPolarHBondContact CG-O 3.3Å; M77-F319 HydrophobicContact CE-CD1 3.99Å; M77-F319 HydrophobicContact CE-CE1 4.4Å
78	S	91.9	Very high	93.7	Very high	97 Å²	97	67 Å²	67	68%	0.678	32%	0.324	S	S	*	.			trans	-86.5	31.3	-178	56.5	0	0	0	0	114.6	K76	K76-S78 WeakPolarHBondContact CE-OG 3.5Å
79	Y	94.3	Very high	94.6	Very high	83 Å²	83	60 Å²	60	33%	0.325	29%	0.288	S	S	.	.	S	Bend	trans	-77.3	175.4	169.5	-66.2	-96	0	0	0	110.7	K76 M77 R81 D148 S150	K76-Y79 HydrophobicContact CB-CE2 4.02Å; K76-Y79 HydrophobicContact CD-CE2 3.84Å; K76-Y79 HydrophobicContact CG-CD2 4.3Å; K76-Y79 HydrophobicContact CG-CE2 3.84Å; K76-Y79 WeakPolarHBondContact O-CD2 3.35Å; K76-Y79 WeakPolarHBondContact O-CE2 3.32Å; M77-Y79 VanDerWaalsContact C-N 3.26Å; M77-Y79 PolarHBondContact O-N 2.81Å; Y79-R81 VanDerWaalsContact C-N 3.26Å; Y79-R81 PolarHBondContact O-N 2.87Å; Y79-D148 VanDerWaalsContact CB-O 3.32Å; Y79-D148 WeakPolarHBondContact CB-O 3.45Å; Y79-S150 WeakPolarHBondContact CB-OG 3.46Å; Y79-S150 WeakPolarHBondContact CD2-OG 3.46Å; Y79-S150 PolarHBondContact N-OG 3.46Å
80	R	95.6	Very high	95.3	Very high	221 Å²	221	55 Å²	55	83%	0.834	27%	0.27	S	S	*	.	S	Bend	trans	-63.3	-35	-176.8	-174.3	-178.7	180	-172.8	0.1	112.1	D148	R80-D148 HydrophobicContact CB-CB 4.28Å; R80-D148 PolarHBondContact N-O 3.48Å
81	R	96.3	Very high	95.8	Very high	96 Å²	96	54.7 Å²	54.7	36%	0.362	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-126.6	147.2	180	-61.1	-174.6	-74.4	161.3	1.2	109.4	Y79 E122 D148 S149 S150	Y79-R81 VanDerWaalsContact C-N 3.26Å; Y79-R81 PolarHBondContact O-N 2.87Å; R81-E122 IonicContact NH1-OE2 3.13Å; R81-E122 PolarHBondContact NH1-OE2 2.98Å; R81-D148 IonicContact CZ-OD1 3.24Å; R81-D148 IonicContact CZ-OD2 3.68Å; R81-D148 PolarHBondContact N-O 2.94Å; R81-D148 IonicContact NE-OD1 2.71Å; R81-D148 PolarHBondContact NE-OD1 3.36Å; R81-D148 IonicContact NE-OD2 3.45Å; R81-D148 PolarHBondContact NE-OD2 3.11Å; R81-D148 VanDerWaalsContact NH2-CG 3.35Å; R81-D148 IonicContact NH2-OD1 3.85Å; R81-D148 PolarHBondContact NH2-OD1 2.79Å; R81-D148 IonicContact NH2-OD2 3.04Å; R81-D148 PolarHBondContact NH2-OD2 2.99Å; R81-S149 CarbonylContact O-C 3.59Å; R81-S149 WeakPolarHBondContact O-CA 3.36Å; R81-S150 PolarHBondContact O-N 2.9Å; R81-S150 PolarHBondContact O-OG 2.94Å
82	V	97.6	Very high	96.4	Very high	32 Å²	32	53 Å²	53	19%	0.194	25%	0.249	C	C	.	.			trans	-62.9	-51.5	168.5	176.8	0	0	0	0	108.7	M77 F121 S150 C151	M77-V82 HydrophobicContact CE-CG1 4.28Å; V82-F121 HydrophobicContact CG1-CD1 4.14Å; V82-F121 HydrophobicContact CG1-CD2 3.91Å; V82-F121 HydrophobicContact CG1-CE1 3.96Å; V82-F121 HydrophobicContact CG1-CE2 3.72Å; V82-F121 HydrophobicContact CG1-CG 4.13Å; V82-F121 HydrophobicContact CG1-CZ 3.75Å; V82-S150 CarbonylContact O-C 3.53Å; V82-S150 WeakPolarHBondContact O-CA 3.46Å; V82-S150 WeakPolarHBondContact O-CB 3.37Å; V82-S150 PolarHBondContact O-N 3.34Å; V82-C151 PolarHBondContact O-N 2.89Å
83	G	98.1	Very high	96.8	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.021	23%	0.225	C	C	.	.			trans	150.4	179.4	174.2	0	0	0	0	0	112.5	F121 E122 C151	G83-F121 WeakPolarHBondContact O-CA 3.37Å; G83-F121 WeakPolarHBondContact O-CD1 3.31Å; G83-E122 PolarHBondContact O-N 3.07Å; G83-C151 WeakPolarHBondContact CA-O 3.47Å
84	K	98.6	Very high	97	Very high	33 Å²	33	47.4 Å²	47.4	14%	0.143	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140.5	174	-166.6	173	-171.4	165.3	0	110.5	I86 E144 F152 A153	K84-I86 HydrophobicContact CD-CD1 4.26Å; K84-I86 HydrophobicContact CD-CG1 4.24Å; K84-I86 HydrophobicContact CG-CG1 4.18Å; K84-E144 WeakPolarHBondContact CD-OE2 3.29Å; K84-E144 VanDerWaalsContact NZ-CD 3.25Å; K84-E144 IonicContact NZ-OE1 3.63Å; K84-E144 PolarHBondContact NZ-OE1 2.97Å; K84-E144 IonicContact NZ-OE2 3.45Å; K84-E144 PolarHBondContact NZ-OE2 3.47Å; K84-F152 HydrophobicContact CB-CD2 4.3Å; K84-A153 PolarHBondContact O-N 3.41Å
85	C	98.8	Very high	97	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.9	169.3	179.5	0	0	0	0	109.1	F116 F121 E122 V123 V124 A153	C85-F116 HydrophobicContact CB-CD1 4.49Å; C85-F121 HydrophobicContact CB-CB 3.72Å; C85-F121 HydrophobicContact CB-CD1 3.84Å; C85-F121 HydrophobicContact CB-CG 3.96Å; C85-E122 PolarHBondContact N-O 3.4Å; C85-V123 HydrophobicContact CB-CB 4.38Å; C85-V123 HydrophobicContact CB-CG1 4.25Å; C85-V123 HydrophobicContact CB-CG2 4.03Å; C85-V123 CarbonylContact O-C 3.53Å; C85-V123 VanDerWaalsContact O-CA 3.3Å; C85-V123 WeakPolarHBondContact O-CA 3.17Å; C85-V124 PolarHBondContact O-N 3.49Å; C85-A153 VanDerWaalsContact CA-O 3.26Å; C85-A153 WeakPolarHBondContact CA-O 3.15Å; C85-A153 HydrophobicContact CB-CB 4.12Å
86	I	98.9	Very high	96.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.9	176.5	-64.6	176.5	0	0	0	108.6	K84 I88 L137 L138 A141 F152 A153 C154 I155	K84-I86 HydrophobicContact CD-CD1 4.26Å; K84-I86 HydrophobicContact CD-CG1 4.24Å; K84-I86 HydrophobicContact CG-CG1 4.18Å; I86-I88 HydrophobicContact CG2-CG1 4.02Å; I86-L137 HydrophobicContact CG2-CD2 3.93Å; I86-L138 HydrophobicContact CD1-CD2 4.05Å; I86-L138 HydrophobicContact CG2-CD2 4.34Å; I86-A141 HydrophobicContact CD1-CB 3.44Å; I86-A141 VanDerWaalsContact CD1-CB 3.44Å; I86-F152 HydrophobicContact CD1-CE2 4.2Å; I86-F152 HydrophobicContact CD1-CZ 4.34Å; I86-F152 HydrophobicContact CG1-CE2 4.45Å; I86-A153 PolarHBondContact N-O 3.37Å; I86-C154 CarbonylContact O-C 3.57Å; I86-C154 WeakPolarHBondContact O-CA 3.16Å; I86-I155 PolarHBondContact O-N 3.36Å
87	I	98.9	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.9	172	-53.5	-173.8	0	0	0	107.9	A109 L112 F113 V123 V124 I125 H126 I155 L157	I87-A109 HydrophobicContact CG2-CB 4.4Å; I87-L112 HydrophobicContact CD1-CB 3.87Å; I87-F113 HydrophobicContact CD1-CB 4.36Å; I87-V123 HydrophobicContact CD1-CG1 3.62Å; I87-V123 HydrophobicContact CG1-CG1 3.87Å; I87-V124 PolarHBondContact N-O 3.47Å; I87-I125 HydrophobicContact CB-CG1 4.24Å; I87-I125 HydrophobicContact CB-CG2 4.49Å; I87-I125 HydrophobicContact CD1-CG1 4.34Å; I87-I125 HydrophobicContact CG2-CG2 4.49Å; I87-I125 CarbonylContact O-C 3.42Å; I87-I125 WeakPolarHBondContact O-CA 3.26Å; I87-H126 PolarHBondContact O-N 2.95Å; I87-I155 CarbonylContact C-O 3.57Å; I87-I155 WeakPolarHBondContact CA-O 3.27Å; I87-I155 HydrophobicContact CD1-CD1 4.2Å; I87-I155 HydrophobicContact CG1-CB 4.23Å; I87-I155 HydrophobicContact CG1-CD1 4.05Å; I87-I155 HydrophobicContact CG1-CG1 4.47Å; I87-I155 HydrophobicContact CG2-CB 4.48Å; I87-L157 HydrophobicContact CG2-CD1 4.23Å
88	I	98.9	Very high	96.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.7	170.7	-55.4	-177.6	0	0	0	107.5	I86 H126 Q129 M134 L137 L138 I155 L156 L157	I86-I88 HydrophobicContact CG2-CG1 4.02Å; I88-H126 WeakPolarHBondContact CA-O 3.13Å; I88-Q129 HydrophobicContact CG2-CB 4.15Å; I88-Q129 HydrophobicContact CG2-CG 4.07Å; I88-M134 HydrophobicContact CD1-CB 4.24Å; I88-M134 HydrophobicContact CD1-CG 4.01Å; I88-M134 HydrophobicContact CD1-SD 4.37Å; I88-M134 HydrophobicContact CG2-CG 4.05Å; I88-M134 HydrophobicContact CG2-SD 3.86Å; I88-L137 HydrophobicContact CD1-CD2 4.07Å; I88-L137 HydrophobicContact CG1-CD2 4.17Å; I88-L138 HydrophobicContact CD1-CD1 4.1Å; I88-L138 HydrophobicContact CD1-CG 4.32Å; I88-I155 PolarHBondContact N-O 2.98Å; I88-L156 HydrophobicContact CB-CD2 4.02Å; I88-L156 HydrophobicContact CD1-CD2 3.79Å; I88-L156 HydrophobicContact CG1-CD2 4.12Å; I88-L157 PolarHBondContact O-N 3.17Å
89	N	98.8	Very high	96.5	Very high	2 Å²	2	52 Å²	52	1%	0.011	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	93.2	-175.7	177.3	45.6	0	0	0	110.1	T105 D106 A109 I125 H126 N127 D128 L157	N89-T105 WeakPolarHBondContact OD1-CB 3.47Å; N89-T105 WeakPolarHBondContact OD1-CG2 3.4Å; N89-T105 PolarHBondContact OD1-O 3.44Å; N89-T105 PolarHBondContact OD1-OG1 2.7Å; N89-D106 PolarHBondContact ND2-OD1 2.85Å; N89-A109 HydrophobicContact CB-CB 4.06Å; N89-I125 HydrophobicContact CB-CG2 4.34Å; N89-H126 PolarHBondContact N-O 2.86Å; N89-N127 WeakPolarHBondContact CB-OD1 3.26Å; N89-N127 PolarHBondContact ND2-OD1 2.86Å; N89-N127 CarbonylContact O-C 3.52Å; N89-N127 VanDerWaalsContact O-CA 3.26Å; N89-N127 WeakPolarHBondContact O-CA 3.07Å; N89-D128 PolarHBondContact O-N 3.11Å; N89-L157 HydrophobicContact CB-CD1 4.41Å
90	N	98.4	Very high	96.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.			trans	-94.8	112.8	177.8	-68.6	-9.1	0	0	0	109	F93 R102 D128 Q129 L157 S158 Y166	N90-F93 HydrophobicContact CB-CE1 4Å; N90-F93 HydrophobicContact CB-CZ 3.67Å; N90-R102 PolarHBondContact O-NH1 3.39Å; N90-D128 WeakPolarHBondContact OD1-CA 3.44Å; N90-D128 PolarHBondContact OD1-N 3.38Å; N90-Q129 PolarHBondContact ND2-O 3.01Å; N90-Q129 PolarHBondContact OD1-N 3.3Å; N90-L157 PolarHBondContact N-O 2.75Å; N90-S158 WeakPolarHBondContact CB-OG 3.4Å; N90-Y166 PolarHBondContact ND2-O 3.35Å
91	K	98.1	Very high	96.4	Very high	49 Å²	49	46 Å²	46	21%	0.213	24%	0.238	C	C	.	.			trans	-107.3	-45.1	-178.4	-178.8	175.7	179.9	-179.6	0	111.7	F93 V101 R102 T105 D106 D128	K91-F93 WeakPolarHBondContact O-CE2 3.18Å; K91-V101 HydrophobicContact CG-CG1 3.98Å; K91-V101 WeakPolarHBondContact O-CA 3.46Å; K91-R102 PolarHBondContact O-N 2.89Å; K91-T105 HydrophobicContact CB-CG2 3.55Å; K91-T105 HydrophobicContact CD-CG2 4.12Å; K91-T105 HydrophobicContact CG-CG2 3.76Å; K91-D106 VanDerWaalsContact CD-OD2 3.25Å; K91-D106 WeakPolarHBondContact CD-OD2 3.14Å; K91-D106 WeakPolarHBondContact CE-OD2 3.38Å; K91-D106 IonicContact NZ-OD2 3.22Å; K91-D106 PolarHBondContact NZ-OD2 2.92Å; K91-D128 PolarHBondContact N-OD1 3.32Å
92	N	98	Very high	96.3	Very high	73 Å²	73	41.5 Å²	41.5	39%	0.39	22%	0.221	S	C	.	.			trans	-110	135.7	-173.3	-53.8	-67.4	0	0	0	109.7	D128 T168	N92-D128 PolarHBondContact N-OD1 2.75Å; N92-D128 PolarHBondContact ND2-OD2 3.35Å; N92-T168 VanDerWaalsContact O-CG2 3.25Å; N92-T168 WeakPolarHBondContact O-CG2 3.4Å
93	F	97.5	Very high	96	Very high	25 Å²	25	43.7 Å²	43.7	11%	0.11	23%	0.232	C	C	.	.			trans	-127.6	148.1	-174.6	-60.8	-94.1	0	0	0	109.8	N90 K91 M99 R102 S158 H159 G167 T168	N90-F93 HydrophobicContact CB-CE1 4Å; N90-F93 HydrophobicContact CB-CZ 3.67Å; K91-F93 WeakPolarHBondContact O-CE2 3.18Å; F93-M99 HydrophobicContact CB-CB 3.87Å; F93-M99 HydrophobicContact CD1-CB 4.38Å; F93-M99 HydrophobicContact CD2-CB 4.27Å; F93-M99 HydrophobicContact CG-CB 3.9Å; F93-R102 HydrophobicContact CE2-CG 3.87Å; F93-S158 WeakPolarHBondContact CE1-OG 3.26Å; F93-S158 WeakPolarHBondContact CZ-OG 3.31Å; F93-H159 AromaticContact CD2-CD2 3.6Å; F93-H159 HydrophobicContact CE1-CB 4.45Å; F93-H159 AromaticContact CE2-CD2 3.29Å; F93-H159 WeakPolarHBondContact CE2-CD2 3.34Å; F93-H159 AromaticContact CE2-NE2 3.9Å; F93-H159 HydrophobicContact CZ-CB 4.37Å; F93-H159 AromaticContact CZ-CD2 3.52Å; F93-G167 WeakPolarHBondContact CD1-O 3.48Å; F93-T168 WeakPolarHBondContact CA-O 3.22Å
94	D	97.8	Very high	95.8	Very high	76 Å²	76	44.2 Å²	44.2	41%	0.406	24%	0.237	S	C	.	.			trans	-63.7	141.7	178.4	-66.6	-12.5	0	0	0	109.7	N96 T97 T168 D169	D94-N96 WeakPolarHBondContact CB-OD1 3.45Å; D94-N96 PolarHBondContact O-N 2.85Å; D94-N96 VanDerWaalsContact O-N 3.08Å; D94-N96 PolarHBondContact O-OD1 3.17Å; D94-T97 HydrophobicContact CB-CG2 4.31Å; D94-T97 WeakPolarHBondContact O-CB 3.44Å; D94-T97 WeakPolarHBondContact O-CG2 3.07Å; D94-T97 PolarHBondContact O-N 3.4Å; D94-T97 PolarHBondContact O-OG1 3.25Å; D94-T168 WeakPolarHBondContact CB-O 3.32Å; D94-T168 PolarHBondContact N-O 2.74Å; D94-D169 WeakPolarHBondContact OD2-CA 3.47Å
95	E	94.6	Very high	95.7	Very high	191 Å²	191	42.7 Å²	42.7	89%	0.893	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-56.7	-31.9	-174.5	-65	-176.7	170.2	0	0	113.1	T97 G98	E95-T97 PolarHBondContact O-N 3.25Å; E95-G98 PolarHBondContact O-N 2.85Å
96	N	93.4	Very high	95.6	Very high	132 Å²	132	46.1 Å²	46.1	71%	0.706	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66	-23	179.2	64.7	-11.8	0	0	0	113.4	D94 G98	D94-N96 WeakPolarHBondContact CB-OD1 3.45Å; D94-N96 PolarHBondContact O-N 2.85Å; D94-N96 VanDerWaalsContact O-N 3.08Å; D94-N96 PolarHBondContact O-OD1 3.17Å; N96-G98 PolarHBondContact O-N 3.47Å
97	T	92.4	Very high	95.5	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.135	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-71.5	-23.8	173.8	69	0	0	0	0	111.6	D94 E95 M99 D169	D94-T97 HydrophobicContact CB-CG2 4.31Å; D94-T97 WeakPolarHBondContact O-CB 3.44Å; D94-T97 WeakPolarHBondContact O-CG2 3.07Å; D94-T97 PolarHBondContact O-N 3.4Å; D94-T97 PolarHBondContact O-OG1 3.25Å; E95-T97 PolarHBondContact O-N 3.25Å; T97-M99 PolarHBondContact O-N 3.21Å; T97-M99 WeakPolarHBondContact OG1-CB 3.5Å; T97-M99 PolarHBondContact OG1-N 3.36Å; T97-D169 WeakPolarHBondContact CG2-O 3.16Å
98	G	92.2	Very high	95.5	Very high	26 Å²	26	52.2 Å²	52.2	27%	0.268	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	17.1	-173.3	0	0	0	0	0	114	E95 N96	E95-G98 PolarHBondContact O-N 2.85Å; N96-G98 PolarHBondContact O-N 3.47Å
99	M	90.3	Very high	95.4	Very high	26 Å²	26	52.3 Å²	52.3	13%	0.128	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-86.7	147.6	175.2	-68.7	-57.2	110.8	0	0	111.1	K36 F93 T97 H159 Y166	K36-M99 HydrophobicContact CB-CE 4.16Å; F93-M99 HydrophobicContact CB-CB 3.87Å; F93-M99 HydrophobicContact CD1-CB 4.38Å; F93-M99 HydrophobicContact CD2-CB 4.27Å; F93-M99 HydrophobicContact CG-CB 3.9Å; T97-M99 PolarHBondContact O-N 3.21Å; T97-M99 WeakPolarHBondContact OG1-CB 3.5Å; T97-M99 PolarHBondContact OG1-N 3.36Å; M99-H159 HydrophobicContact CG-CB 4.21Å; M99-H159 HydrophobicContact SD-CB 3.99Å; M99-Y166 HydrophobicContact CG-CD1 4.01Å; M99-Y166 HydrophobicContact CG-CE1 3.91Å
100	N	90.8	Very high	95.4	Very high	111 Å²	111	53.3 Å²	53.3	59%	0.594	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-90.1	166.9	-178.3	-65.5	-45	0	0	0	111.2	R102 H159	N100-R102 PolarHBondContact O-N 3.06Å; N100-H159 PolarHBondContact O-NE2 3.37Å
101	V	95.3	Very high	95.4	Very high	69 Å²	69	56.7 Å²	56.7	42%	0.418	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-67.1	132.1	172.3	-179.9	0	0	0	0	110.5	K91 N103	K91-V101 HydrophobicContact CG-CG1 3.98Å; K91-V101 WeakPolarHBondContact O-CA 3.46Å; V101-N103 PolarHBondContact O-N 3.46Å; V101-N103 VanDerWaalsContact O-N 3.14Å
102	R	95.4	Very high	95.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.			trans	-88	67.6	-179.2	-65.4	-178.3	61.7	-103.2	-3.9	113.1	D34 N90 K91 F93 N100 G104 T105 L157 S158 H159	D34-R102 IonicContact OD1-CZ 3.06Å; D34-R102 IonicContact OD1-NE 2.81Å; D34-R102 PolarHBondContact OD1-NE 2.81Å; D34-R102 IonicContact OD1-NH2 3.38Å; D34-R102 IonicContact OD2-CZ 3.67Å; D34-R102 IonicContact OD2-NE 3.71Å; D34-R102 IonicContact OD2-NH2 3.58Å; D34-R102 PolarHBondContact OD2-NH2 3.47Å; D34-R102 VanDerWaalsContact OD2-NH2 3.13Å; N90-R102 PolarHBondContact O-NH1 3.39Å; K91-R102 PolarHBondContact O-N 2.89Å; F93-R102 HydrophobicContact CE2-CG 3.87Å; N100-R102 PolarHBondContact O-N 3.06Å; R102-G104 PolarHBondContact O-N 3.01Å; R102-T105 HydrophobicContact CB-CG2 4.2Å; R102-T105 PolarHBondContact NH1-OG1 2.9Å; R102-T105 VanDerWaalsContact O-CB 3.32Å; R102-T105 WeakPolarHBondContact O-CB 3.49Å; R102-T105 WeakPolarHBondContact O-CG2 3.31Å; R102-T105 PolarHBondContact O-N 3.27Å; R102-T105 VanDerWaalsContact O-N 3.13Å; R102-L157 VanDerWaalsContact NH1-C 3.28Å; R102-L157 PolarHBondContact NH1-O 2.81Å; R102-S158 PolarHBondContact NE-O 3.38Å; R102-H159 VanDerWaalsContact CG-NE2 3.28Å; R102-H159 WeakPolarHBondContact CG-NE2 3.38Å
103	N	91.9	Very high	95.5	Very high	79 Å²	79	53.6 Å²	53.6	42%	0.422	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	136.9	178.6	-66	-42.9	0	0	0	112.9	V101 R251 P253	V101-N103 PolarHBondContact O-N 3.46Å; V101-N103 VanDerWaalsContact O-N 3.14Å; N103-R251 VanDerWaalsContact O-CD 3.3Å; N103-R251 WeakPolarHBondContact O-CD 3.48Å; N103-R251 PolarHBondContact O-NH1 2.96Å; N103-P253 HydrophobicContact CB-CB 3.84Å
104	G	92.9	Very high	95.5	Very high	13 Å²	13	58.1 Å²	58.1	13%	0.134	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-12.9	-175.1	0	0	0	0	0	115.2	R102 D106 R107 D108 P253	R102-G104 PolarHBondContact O-N 3.01Å; G104-D106 VanDerWaalsContact C-N 3.27Å; G104-D106 PolarHBondContact O-N 3.35Å; G104-R107 WeakPolarHBondContact O-CB 3.32Å; G104-R107 PolarHBondContact O-N 2.97Å; G104-R107 VanDerWaalsContact O-N 3.12Å; G104-D108 PolarHBondContact O-N 3.08Å; G104-P253 WeakPolarHBondContact CA-O 3.45Å; G104-P253 PolarHBondContact N-O 3.24Å
105	T	96.1	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-28.6	178.1	-163.3	0	0	0	0	113.7	N89 K91 R102 R107 D108 A109	N89-T105 WeakPolarHBondContact OD1-CB 3.47Å; N89-T105 WeakPolarHBondContact OD1-CG2 3.4Å; N89-T105 PolarHBondContact OD1-O 3.44Å; N89-T105 PolarHBondContact OD1-OG1 2.7Å; K91-T105 HydrophobicContact CB-CG2 3.55Å; K91-T105 HydrophobicContact CD-CG2 4.12Å; K91-T105 HydrophobicContact CG-CG2 3.76Å; R102-T105 HydrophobicContact CB-CG2 4.2Å; R102-T105 PolarHBondContact NH1-OG1 2.9Å; R102-T105 VanDerWaalsContact O-CB 3.32Å; R102-T105 WeakPolarHBondContact O-CB 3.49Å; R102-T105 WeakPolarHBondContact O-CG2 3.31Å; R102-T105 PolarHBondContact O-N 3.27Å; R102-T105 VanDerWaalsContact O-N 3.13Å; T105-R107 VanDerWaalsContact C-N 3.28Å; T105-R107 PolarHBondContact O-N 3.32Å; T105-D108 WeakPolarHBondContact O-CB 3.37Å; T105-D108 PolarHBondContact O-N 2.77Å; T105-A109 WeakPolarHBondContact O-CB 3.35Å; T105-A109 PolarHBondContact O-N 2.91Å
106	D	98	Very high	95.7	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-32.3	176.1	-59.3	-31.7	0	0	0	111.5	N89 K91 G104 G110	N89-D106 PolarHBondContact ND2-OD1 2.85Å; K91-D106 VanDerWaalsContact CD-OD2 3.25Å; K91-D106 WeakPolarHBondContact CD-OD2 3.14Å; K91-D106 WeakPolarHBondContact CE-OD2 3.38Å; K91-D106 IonicContact NZ-OD2 3.22Å; K91-D106 PolarHBondContact NZ-OD2 2.92Å; G104-D106 VanDerWaalsContact C-N 3.27Å; G104-D106 PolarHBondContact O-N 3.35Å; D106-G110 PolarHBondContact O-N 3.3Å
107	R	96.5	Very high	95.9	Very high	125 Å²	125	47 Å²	47	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-46.1	172.8	-176.1	173.8	177.2	150.4	6	110	G104 T105 A109 G110 E111 G254 R255	G104-R107 WeakPolarHBondContact O-CB 3.32Å; G104-R107 PolarHBondContact O-N 2.97Å; G104-R107 VanDerWaalsContact O-N 3.12Å; T105-R107 VanDerWaalsContact C-N 3.28Å; T105-R107 PolarHBondContact O-N 3.32Å; R107-A109 PolarHBondContact O-N 2.79Å; R107-G110 PolarHBondContact O-N 2.87Å; R107-E111 PolarHBondContact O-N 3.31Å; R107-G254 VanDerWaalsContact CD-O 3.24Å; R107-G254 WeakPolarHBondContact CD-O 3.16Å; R107-G254 PolarHBondContact NH1-O 3.36Å; R107-R255 PolarHBondContact NE-O 2.95Å
108	D	97.5	Very high	96.1	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-55.4	-50.7	173.7	-75.4	-13.6	0	0	0	111.4	G104 T105 G110 E111 L112 L157 G256 S257 V260	G104-D108 PolarHBondContact O-N 3.08Å; T105-D108 WeakPolarHBondContact O-CB 3.37Å; T105-D108 PolarHBondContact O-N 2.77Å; D108-G110 VanDerWaalsContact C-N 3.31Å; D108-G110 PolarHBondContact O-N 3.42Å; D108-E111 PolarHBondContact O-N 3.03Å; D108-L112 WeakPolarHBondContact O-CB 3.45Å; D108-L112 WeakPolarHBondContact O-CD1 3.5Å; D108-L112 VanDerWaalsContact O-CG 3.29Å; D108-L112 WeakPolarHBondContact O-CG 3.18Å; D108-L112 PolarHBondContact O-N 2.91Å; D108-L157 HydrophobicContact CB-CD1 4.04Å; D108-G256 WeakPolarHBondContact OD1-CA 3.36Å; D108-S257 VanDerWaalsContact CG-N 3.3Å; D108-S257 PolarHBondContact OD1-N 2.85Å; D108-S257 VanDerWaalsContact OD2-CB 3.23Å; D108-S257 WeakPolarHBondContact OD2-CB 3.43Å; D108-S257 PolarHBondContact OD2-N 2.8Å; D108-S257 PolarHBondContact OD2-OG 3.27Å; D108-V260 HydrophobicContact CB-CB 4.1Å; D108-V260 HydrophobicContact CB-CG1 3.73Å; D108-V260 HydrophobicContact CB-CG2 4.16Å
109	A	98.4	Very high	96.4	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-41	178.8	0	0	0	0	0	112.2	I87 N89 T105 R107 F113 L157	I87-A109 HydrophobicContact CG2-CB 4.4Å; N89-A109 HydrophobicContact CB-CB 4.06Å; T105-A109 WeakPolarHBondContact O-CB 3.35Å; T105-A109 PolarHBondContact O-N 2.91Å; R107-A109 PolarHBondContact O-N 2.79Å; A109-F113 VanDerWaalsContact O-CB 3.28Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 2.95Å; A109-L157 HydrophobicContact CB-CD1 3.93Å
110	G	98.3	Very high	96.7	Very high	24 Å²	24	48.7 Å²	48.7	25%	0.247	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-43	177.2	0	0	0	0	0	113.6	D106 R107 D108 K114	D106-G110 PolarHBondContact O-N 3.3Å; R107-G110 PolarHBondContact O-N 2.87Å; D108-G110 VanDerWaalsContact C-N 3.31Å; D108-G110 PolarHBondContact O-N 3.42Å; G110-K114 WeakPolarHBondContact O-CG 3.42Å; G110-K114 PolarHBondContact O-N 3.07Å
111	E	98.3	Very high	97.1	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-70.6	-43.3	177.9	-67.3	-51.5	124.1	0	0	111.8	R107 D108 F113 K114 C115 C264	R107-E111 PolarHBondContact O-N 3.31Å; D108-E111 PolarHBondContact O-N 3.03Å; E111-F113 VanDerWaalsContact C-N 3.29Å; E111-F113 PolarHBondContact O-N 3.26Å; E111-K114 PolarHBondContact O-N 3.11Å; E111-K114 VanDerWaalsContact O-N 3.14Å; E111-K114 IonicContact OE1-NZ 2.61Å; E111-K114 PolarHBondContact OE1-NZ 3.12Å; E111-C115 PolarHBondContact O-N 3.07Å; E111-C115 PolarHBondContact O-SG 2.99Å; E111-C115 VanDerWaalsContact O-SG 3.42Å; E111-C264 HydrophobicContact CB-CB 4.38Å
112	L	98.6	Very high	97.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-40.3	174.5	-71.4	164	0	0	0	111.8	I87 D108 K114 C115 F116 I155 L157 V260 L263	I87-L112 HydrophobicContact CD1-CB 3.87Å; D108-L112 WeakPolarHBondContact O-CB 3.45Å; D108-L112 WeakPolarHBondContact O-CD1 3.5Å; D108-L112 VanDerWaalsContact O-CG 3.29Å; D108-L112 WeakPolarHBondContact O-CG 3.18Å; D108-L112 PolarHBondContact O-N 2.91Å; L112-K114 PolarHBondContact O-N 3.35Å; L112-C115 PolarHBondContact O-N 2.75Å; L112-F116 HydrophobicContact CD2-CD2 4.35Å; L112-F116 HydrophobicContact CD2-CE2 3.93Å; L112-F116 WeakPolarHBondContact O-CB 3.46Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 PolarHBondContact O-N 3.15Å; L112-I155 HydrophobicContact CB-CD1 4.29Å; L112-I155 HydrophobicContact CD1-CG2 3.78Å; L112-I155 HydrophobicContact CD2-CD1 4.24Å; L112-L157 HydrophobicContact CD1-CD1 4.05Å; L112-L157 HydrophobicContact CD1-CD2 3.81Å; L112-L157 HydrophobicContact CD1-CG 4.43Å; L112-V260 HydrophobicContact CD1-CG1 3.77Å; L112-V260 HydrophobicContact CD1-CG2 3.92Å; L112-V260 HydrophobicContact CD2-CG1 4.01Å; L112-V260 HydrophobicContact CG-CG1 3.61Å; L112-L263 HydrophobicContact CD2-CD2 4.01Å
113	F	98.8	Very high	97.4	Very high	56 Å²	56	46.1 Å²	46.1	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-47.9	174.4	175.8	-90.8	0	0	0	111.9	I87 A109 E111 R117 V123 I125	I87-F113 HydrophobicContact CD1-CB 4.36Å; A109-F113 VanDerWaalsContact O-CB 3.28Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 2.95Å; E111-F113 VanDerWaalsContact C-N 3.29Å; E111-F113 PolarHBondContact O-N 3.26Å; F113-R117 WeakPolarHBondContact O-CB 3.37Å; F113-R117 PolarHBondContact O-N 3.47Å; F113-V123 HydrophobicContact CD2-CB 3.73Å; F113-V123 HydrophobicContact CD2-CG1 3.63Å; F113-V123 HydrophobicContact CE2-CB 3.95Å; F113-V123 HydrophobicContact CE2-CG1 4.31Å; F113-V123 HydrophobicContact CG-CG1 4.43Å; F113-I125 HydrophobicContact CB-CD1 3.92Å; F113-I125 HydrophobicContact CD2-CD1 3.95Å; F113-I125 HydrophobicContact CD2-CG1 4.04Å; F113-I125 HydrophobicContact CG-CD1 4.15Å
114	K	98.3	Very high	97.7	Very high	120 Å²	120	44.8 Å²	44.8	52%	0.522	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-47.3	178.1	-66.6	167.9	-168.3	167.9	0	111.3	G110 E111 L112 S118	G110-K114 WeakPolarHBondContact O-CG 3.42Å; G110-K114 PolarHBondContact O-N 3.07Å; E111-K114 PolarHBondContact O-N 3.11Å; E111-K114 VanDerWaalsContact O-N 3.14Å; E111-K114 IonicContact OE1-NZ 2.61Å; E111-K114 PolarHBondContact OE1-NZ 3.12Å; L112-K114 PolarHBondContact O-N 3.35Å; K114-S118 WeakPolarHBondContact O-CB 3.47Å; K114-S118 PolarHBondContact O-N 2.75Å
115	C	97.6	Very high	98	Very high	3 Å²	3	47 Å²	47	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-52.3	-178.4	-70.4	0	0	0	0	112.2	E111 L112 R117 S118 L119 C264 S268	E111-C115 PolarHBondContact O-N 3.07Å; E111-C115 PolarHBondContact O-SG 2.99Å; E111-C115 VanDerWaalsContact O-SG 3.42Å; L112-C115 PolarHBondContact O-N 2.75Å; C115-R117 VanDerWaalsContact C-N 3.3Å; C115-R117 PolarHBondContact O-N 3.24Å; C115-S118 PolarHBondContact O-N 2.71Å; C115-S118 VanDerWaalsContact O-N 3.14Å; C115-S118 PolarHBondContact O-OG 3.1Å; C115-L119 WeakPolarHBondContact O-CG 3.46Å; C115-L119 PolarHBondContact O-N 3.42Å; C115-L119 VanDerWaalsContact O-N 3.17Å; C115-C264 WeakPolarHBondContact SG-CB 3.42Å; C115-S268 PolarHBondContact SG-OG 3.18Å
116	F	98.4	Very high	98.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-68.2	-32.6	-178.1	-81.4	-103.4	0	0	0	112	C85 L112 L119 G120 F121 V123 A153 I155 F197 L267	C85-F116 HydrophobicContact CB-CD1 4.49Å; L112-F116 HydrophobicContact CD2-CD2 4.35Å; L112-F116 HydrophobicContact CD2-CE2 3.93Å; L112-F116 WeakPolarHBondContact O-CB 3.46Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 PolarHBondContact O-N 3.15Å; F116-L119 PolarHBondContact O-N 3.09Å; F116-G120 PolarHBondContact O-N 2.96Å; F116-F121 HydrophobicContact CB-CB 4.42Å; F116-F121 HydrophobicContact CB-CD2 4.38Å; F116-F121 AromaticContact CD1-CD2 3.91Å; F116-F121 HydrophobicContact CD1-CD2 3.91Å; F116-F121 HydrophobicContact CD1-CE2 4.02Å; F116-F121 HydrophobicContact CD1-CG 4.38Å; F116-F121 WeakPolarHBondContact O-CB 3.36Å; F116-F121 WeakPolarHBondContact O-CD2 3.26Å; F116-F121 PolarHBondContact O-N 2.85Å; F116-F121 VanDerWaalsContact O-N 3.11Å; F116-V123 HydrophobicContact CB-CG2 3.8Å; F116-A153 HydrophobicContact CD1-CB 4.41Å; F116-A153 HydrophobicContact CE1-CB 4.21Å; F116-I155 HydrophobicContact CD1-CD1 4.26Å; F116-I155 HydrophobicContact CD2-CD1 3.7Å; F116-I155 HydrophobicContact CE1-CD1 4.09Å; F116-I155 HydrophobicContact CE2-CD1 3.52Å; F116-I155 HydrophobicContact CG-CD1 4.07Å; F116-I155 HydrophobicContact CZ-CD1 3.73Å; F116-I155 HydrophobicContact CZ-CG1 4.48Å; F116-F197 HydrophobicContact CE1-CD2 4.2Å; F116-F197 AromaticContact CE1-CE2 3.63Å; F116-F197 HydrophobicContact CE1-CE2 3.63Å; F116-F197 HydrophobicContact CE1-CZ 4.08Å; F116-F197 AromaticContact CZ-CD2 3.83Å; F116-F197 HydrophobicContact CZ-CD2 3.83Å; F116-F197 HydrophobicContact CZ-CE1 4.22Å; F116-F197 AromaticContact CZ-CE2 3.5Å; F116-F197 HydrophobicContact CZ-CE2 3.5Å; F116-F197 HydrophobicContact CZ-CG 4.34Å; F116-F197 AromaticContact CZ-CZ 3.72Å; F116-F197 HydrophobicContact CZ-CZ 3.72Å; F116-L267 HydrophobicContact CD2-CD1 4.43Å; F116-L267 HydrophobicContact CE2-CD1 3.76Å; F116-L267 HydrophobicContact CZ-CD1 4.14Å
117	R	98.1	Very high	98.1	Very high	160 Å²	160	50 Å²	50	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-65.9	-37.5	172.3	-171.5	173	-179.3	179	0.3	112.2	F113 C115 L119 G120 V123	F113-R117 WeakPolarHBondContact O-CB 3.37Å; F113-R117 PolarHBondContact O-N 3.47Å; C115-R117 VanDerWaalsContact C-N 3.3Å; C115-R117 PolarHBondContact O-N 3.24Å; R117-L119 VanDerWaalsContact C-N 3.25Å; R117-L119 PolarHBondContact O-N 3.02Å; R117-G120 PolarHBondContact O-N 3.37Å; R117-V123 HydrophobicContact CB-CG2 4.02Å
118	S	97.1	Very high	98.2	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	24%	0.243	S	C	.	.	H	α-helix	trans	-68	-26.9	177.1	82.7	0	0	0	0	112.9	K114 C115 G120 K272	K114-S118 WeakPolarHBondContact O-CB 3.47Å; K114-S118 PolarHBondContact O-N 2.75Å; C115-S118 PolarHBondContact O-N 2.71Å; C115-S118 VanDerWaalsContact O-N 3.14Å; C115-S118 PolarHBondContact O-OG 3.1Å; S118-G120 PolarHBondContact O-N 2.98Å; S118-K272 WeakPolarHBondContact O-CE 3.2Å; S118-K272 PolarHBondContact O-NZ 3.04Å
119	L	96.9	Very high	98.3	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.6	169.7	-60.1	174	0	0	0	113.5	C115 F116 R117 F121 L267 K272 F319	C115-L119 WeakPolarHBondContact O-CG 3.46Å; C115-L119 PolarHBondContact O-N 3.42Å; C115-L119 VanDerWaalsContact O-N 3.17Å; F116-L119 PolarHBondContact O-N 3.09Å; R117-L119 VanDerWaalsContact C-N 3.25Å; R117-L119 PolarHBondContact O-N 3.02Å; L119-F121 HydrophobicContact CB-CD2 4.1Å; L119-F121 HydrophobicContact CB-CE2 4.36Å; L119-L267 HydrophobicContact CD1-CD1 4.34Å; L119-L267 HydrophobicContact CD1-CD2 4.02Å; L119-K272 HydrophobicContact CD2-CG 4.23Å; L119-F319 HydrophobicContact CB-CB 4.45Å; L119-F319 HydrophobicContact CD1-CD2 4.21Å; L119-F319 HydrophobicContact CD2-CB 4.1Å; L119-F319 HydrophobicContact CD2-CD2 4.48Å
120	G	97.3	Very high	98.3	Very high	42 Å²	42	49 Å²	49	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	9.6	175	0	0	0	0	0	115.3	F116 R117 S118	F116-G120 PolarHBondContact O-N 2.96Å; R117-G120 PolarHBondContact O-N 3.37Å; S118-G120 PolarHBondContact O-N 2.98Å
121	F	98.5	Very high	98.3	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	25%	0.249	C	C	.	.			trans	-72.3	149.7	173.5	-74.2	-93.1	0	0	0	112.3	V82 G83 C85 F116 L119 V123 C151 A153 F319	V82-F121 HydrophobicContact CG1-CD1 4.14Å; V82-F121 HydrophobicContact CG1-CD2 3.91Å; V82-F121 HydrophobicContact CG1-CE1 3.96Å; V82-F121 HydrophobicContact CG1-CE2 3.72Å; V82-F121 HydrophobicContact CG1-CG 4.13Å; V82-F121 HydrophobicContact CG1-CZ 3.75Å; G83-F121 WeakPolarHBondContact O-CA 3.37Å; G83-F121 WeakPolarHBondContact O-CD1 3.31Å; C85-F121 HydrophobicContact CB-CB 3.72Å; C85-F121 HydrophobicContact CB-CD1 3.84Å; C85-F121 HydrophobicContact CB-CG 3.96Å; F116-F121 HydrophobicContact CB-CB 4.42Å; F116-F121 HydrophobicContact CB-CD2 4.38Å; F116-F121 AromaticContact CD1-CD2 3.91Å; F116-F121 HydrophobicContact CD1-CD2 3.91Å; F116-F121 HydrophobicContact CD1-CE2 4.02Å; F116-F121 HydrophobicContact CD1-CG 4.38Å; F116-F121 WeakPolarHBondContact O-CB 3.36Å; F116-F121 WeakPolarHBondContact O-CD2 3.26Å; F116-F121 PolarHBondContact O-N 2.85Å; F116-F121 VanDerWaalsContact O-N 3.11Å; L119-F121 HydrophobicContact CB-CD2 4.1Å; L119-F121 HydrophobicContact CB-CE2 4.36Å; F121-V123 HydrophobicContact CB-CG2 4Å; F121-V123 PolarHBondContact O-N 2.95Å; F121-C151 VanDerWaalsContact CE1-SG 3.52Å; F121-C151 WeakPolarHBondContact CZ-SG 3.44Å; F121-A153 HydrophobicContact CD1-CB 4.19Å; F121-A153 HydrophobicContact CE1-CB 3.67Å; F121-A153 HydrophobicContact CZ-CB 4.09Å; F121-F319 HydrophobicContact CE2-CD1 4.03Å; F121-F319 AromaticContact CE2-CE1 3.82Å; F121-F319 HydrophobicContact CE2-CE1 3.82Å; F121-F319 HydrophobicContact CE2-CZ 4.49Å; F121-F319 HydrophobicContact CZ-CD1 4.35Å; F121-F319 AromaticContact CZ-CE1 3.81Å; F121-F319 HydrophobicContact CZ-CE1 3.81Å
122	E	98.5	Very high	98.3	Very high	102 Å²	102	51.6 Å²	51.6	48%	0.477	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	96.2	163	-174.9	-178.5	166.3	0	0	108.6	R81 G83 C85	R81-E122 IonicContact NH1-OE2 3.13Å; R81-E122 PolarHBondContact NH1-OE2 2.98Å; G83-E122 PolarHBondContact O-N 3.07Å; C85-E122 PolarHBondContact N-O 3.4Å
123	V	98.8	Very high	98.3	Very high	18 Å²	18	56.8 Å²	56.8	11%	0.109	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.7	-173	-165.2	0	0	0	0	111.6	C85 I87 F113 F116 R117 F121	C85-V123 HydrophobicContact CB-CB 4.38Å; C85-V123 HydrophobicContact CB-CG1 4.25Å; C85-V123 HydrophobicContact CB-CG2 4.03Å; C85-V123 CarbonylContact O-C 3.53Å; C85-V123 VanDerWaalsContact O-CA 3.3Å; C85-V123 WeakPolarHBondContact O-CA 3.17Å; I87-V123 HydrophobicContact CD1-CG1 3.62Å; I87-V123 HydrophobicContact CG1-CG1 3.87Å; F113-V123 HydrophobicContact CD2-CB 3.73Å; F113-V123 HydrophobicContact CD2-CG1 3.63Å; F113-V123 HydrophobicContact CE2-CB 3.95Å; F113-V123 HydrophobicContact CE2-CG1 4.31Å; F113-V123 HydrophobicContact CG-CG1 4.43Å; F116-V123 HydrophobicContact CB-CG2 3.8Å; R117-V123 HydrophobicContact CB-CG2 4.02Å; F121-V123 HydrophobicContact CB-CG2 4Å; F121-V123 PolarHBondContact O-N 2.95Å
124	V	98.6	Very high	98.3	Very high	51 Å²	51	54.2 Å²	54.2	31%	0.309	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.3	174.3	-171.4	0	0	0	0	109.7	C85 I87 H126	C85-V124 PolarHBondContact O-N 3.49Å; I87-V124 PolarHBondContact N-O 3.47Å; V124-H126 WeakPolarHBondContact CG1-NE2 3.27Å
125	I	98.8	Very high	98.3	Very high	60 Å²	60	52.2 Å²	52.2	31%	0.308	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.8	178.3	-51.3	176.7	0	0	0	109.5	I87 N89 F113	I87-I125 HydrophobicContact CB-CG1 4.24Å; I87-I125 HydrophobicContact CB-CG2 4.49Å; I87-I125 HydrophobicContact CD1-CG1 4.34Å; I87-I125 HydrophobicContact CG2-CG2 4.49Å; I87-I125 CarbonylContact O-C 3.42Å; I87-I125 WeakPolarHBondContact O-CA 3.26Å; N89-I125 HydrophobicContact CB-CG2 4.34Å; F113-I125 HydrophobicContact CB-CD1 3.92Å; F113-I125 HydrophobicContact CD2-CD1 3.95Å; F113-I125 HydrophobicContact CD2-CG1 4.04Å; F113-I125 HydrophobicContact CG-CD1 4.15Å
126	H	98.8	Very high	98.4	Very high	50 Å²	50	55.5 Å²	55.5	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.4	172	-65.7	-94.7	0	0	0	108.9	I87 I88 N89 V124 Q129 L137	I87-H126 PolarHBondContact O-N 2.95Å; I88-H126 WeakPolarHBondContact CA-O 3.13Å; N89-H126 PolarHBondContact N-O 2.86Å; V124-H126 WeakPolarHBondContact CG1-NE2 3.27Å; H126-Q129 HydrophobicContact CB-CG 3.93Å; H126-L137 HydrophobicContact CB-CD2 3.98Å; H126-L137 VanDerWaalsContact CE1-CD1 3.48Å; H126-L137 WeakPolarHBondContact CE1-CD1 3.18Å
127	N	98.8	Very high	98.4	Very high	85 Å²	85	56.4 Å²	56.4	46%	0.455	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	145	-178.6	-61.4	-54.6	0	0	0	111.3	N89 Q129	N89-N127 WeakPolarHBondContact CB-OD1 3.26Å; N89-N127 PolarHBondContact ND2-OD1 2.86Å; N89-N127 CarbonylContact O-C 3.52Å; N89-N127 VanDerWaalsContact O-CA 3.26Å; N89-N127 WeakPolarHBondContact O-CA 3.07Å; N127-Q129 PolarHBondContact O-N 2.79Å; N127-Q129 PolarHBondContact O-NE2 2.98Å
128	D	98.5	Very high	98.4	Very high	49 Å²	49	48.8 Å²	48.8	26%	0.262	26%	0.261	S	S	.	.	S	Bend	trans	47.9	65	169.2	-65.4	-23.4	0	0	0	113.1	N89 N90 K91 N92 T168	N89-D128 PolarHBondContact O-N 3.11Å; N90-D128 WeakPolarHBondContact OD1-CA 3.44Å; N90-D128 PolarHBondContact OD1-N 3.38Å; K91-D128 PolarHBondContact N-OD1 3.32Å; N92-D128 PolarHBondContact N-OD1 2.75Å; N92-D128 PolarHBondContact ND2-OD2 3.35Å; D128-T168 HydrophobicContact CB-CG2 3.79Å
129	Q	98.8	Very high	98.4	Very high	32 Å²	32	49.9 Å²	49.9	15%	0.15	26%	0.258	C	S	.	.			trans	-95.9	130.2	179.3	-59.2	-60.2	-70.1	0	0	111.4	I88 N90 H126 N127 K133 M134 G167 T168	I88-Q129 HydrophobicContact CG2-CB 4.15Å; I88-Q129 HydrophobicContact CG2-CG 4.07Å; N90-Q129 PolarHBondContact ND2-O 3.01Å; N90-Q129 PolarHBondContact OD1-N 3.3Å; H126-Q129 HydrophobicContact CB-CG 3.93Å; N127-Q129 PolarHBondContact O-N 2.79Å; N127-Q129 PolarHBondContact O-NE2 2.98Å; Q129-K133 HydrophobicContact CB-CB 4.19Å; Q129-M134 HydrophobicContact CB-CG 3.49Å; Q129-M134 VanDerWaalsContact CB-CG 3.49Å; Q129-G167 CarbonylContact O-C 3.57Å; Q129-G167 VanDerWaalsContact O-CA 3.24Å; Q129-G167 WeakPolarHBondContact O-CA 3.4Å; Q129-T168 PolarHBondContact O-N 2.87Å
130	T	98.7	Very high	98.5	Very high	28 Å²	28	55.3 Å²	55.3	17%	0.172	28%	0.283	C	S	.	.			trans	-64.7	162	166.3	61.3	0	0	0	0	110.5	E132 K133 M134 T168 D169	T130-E132 VanDerWaalsContact C-N 3.28Å; T130-E132 PolarHBondContact O-N 3Å; T130-K133 PolarHBondContact O-N 3.24Å; T130-K133 VanDerWaalsContact OG1-CG 3.31Å; T130-K133 WeakPolarHBondContact OG1-CG 3.47Å; T130-K133 PolarHBondContact OG1-N 2.84Å; T130-M134 WeakPolarHBondContact O-CG 3.41Å; T130-M134 PolarHBondContact O-N 2.81Å; T130-T168 WeakPolarHBondContact CG2-OG1 3.4Å; T130-D169 WeakPolarHBondContact CA-OD1 3.42Å; T130-D169 WeakPolarHBondContact CB-OD1 3.3Å; T130-D169 HydrophobicContact CG2-CB 4.19Å
131	C	98.4	Very high	98.6	Very high	16 Å²	16	53.3 Å²	53.3	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-51.9	-47.4	174.8	-76.6	0	0	0	0	112.2	K133 M134 E135 D169 A170 M172	C131-K133 VanDerWaalsContact C-N 3.34Å; C131-K133 PolarHBondContact O-N 2.8Å; C131-M134 PolarHBondContact O-N 2.83Å; C131-E135 PolarHBondContact O-N 2.91Å; C131-D169 PolarHBondContact N-OD1 2.77Å; C131-A170 PolarHBondContact SG-O 3.13Å; C131-M172 HydrophobicContact CB-CB 4.39Å; C131-M172 HydrophobicContact CB-CG 4.49Å; C131-M172 HydrophobicContact CB-SD 3.97Å
132	E	98.4	Very high	98.5	Very high	135 Å²	135	53.4 Å²	53.4	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-60.1	-43.2	177.3	-178.7	-178.1	-172.6	0	0	111.8	T130 E135 N136	T130-E132 VanDerWaalsContact C-N 3.28Å; T130-E132 PolarHBondContact O-N 3Å; E132-E135 PolarHBondContact O-N 3.18Å; E132-N136 WeakPolarHBondContact CG-ND2 3.49Å; E132-N136 VanDerWaalsContact O-CB 3.31Å; E132-N136 WeakPolarHBondContact O-CB 3.25Å; E132-N136 VanDerWaalsContact O-CG 3.29Å; E132-N136 PolarHBondContact O-N 3.06Å; E132-N136 PolarHBondContact O-ND2 2.83Å
133	K	98.7	Very high	98.5	Very high	110 Å²	110	54.7 Å²	54.7	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-67.2	-40.4	178.5	-74	176.1	-179.3	173.9	0	112.1	Q129 T130 C131 N136 L137	Q129-K133 HydrophobicContact CB-CB 4.19Å; T130-K133 PolarHBondContact O-N 3.24Å; T130-K133 VanDerWaalsContact OG1-CG 3.31Å; T130-K133 WeakPolarHBondContact OG1-CG 3.47Å; T130-K133 PolarHBondContact OG1-N 2.84Å; C131-K133 VanDerWaalsContact C-N 3.34Å; C131-K133 PolarHBondContact O-N 2.8Å; K133-N136 PolarHBondContact O-N 2.87Å; K133-L137 WeakPolarHBondContact O-CB 3.24Å; K133-L137 PolarHBondContact O-N 3.24Å
134	M	98.7	Very high	98.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-46.1	175.3	-68	-166.1	-63.3	0	0	111.4	I88 Q129 T130 C131 L138 G167 M172	I88-M134 HydrophobicContact CD1-CB 4.24Å; I88-M134 HydrophobicContact CD1-CG 4.01Å; I88-M134 HydrophobicContact CD1-SD 4.37Å; I88-M134 HydrophobicContact CG2-CG 4.05Å; I88-M134 HydrophobicContact CG2-SD 3.86Å; Q129-M134 HydrophobicContact CB-CG 3.49Å; Q129-M134 VanDerWaalsContact CB-CG 3.49Å; T130-M134 WeakPolarHBondContact O-CG 3.41Å; T130-M134 PolarHBondContact O-N 2.81Å; C131-M134 PolarHBondContact O-N 2.83Å; M134-L138 WeakPolarHBondContact O-CB 3.09Å; M134-L138 WeakPolarHBondContact O-CG 3.5Å; M134-L138 PolarHBondContact O-N 2.95Å; M134-G167 VanDerWaalsContact CE-N 3.32Å; M134-M172 HydrophobicContact CB-SD 4.38Å; M134-M172 HydrophobicContact CE-CG 4.14Å; M134-M172 HydrophobicContact CE-SD 3.59Å; M134-M172 VanDerWaalsContact CE-SD 3.59Å
135	E	98.2	Very high	98.4	Very high	79 Å²	79	60 Å²	60	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-49	177.5	-172.7	172.7	172.5	0	0	111.4	C131 E132 L137 L138 K139 M172	C131-E135 PolarHBondContact O-N 2.91Å; E132-E135 PolarHBondContact O-N 3.18Å; E135-L137 PolarHBondContact O-N 3.25Å; E135-L138 PolarHBondContact O-N 2.86Å; E135-K139 WeakPolarHBondContact O-CB 3.34Å; E135-K139 PolarHBondContact O-N 2.79Å; E135-M172 HydrophobicContact CB-CE 4.22Å
136	N	98.6	Very high	98.4	Very high	71 Å²	71	57.2 Å²	57.2	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-43.3	179.2	-77.3	-31.3	0	0	0	112.3	E132 K133 K139 Q140	E132-N136 WeakPolarHBondContact CG-ND2 3.49Å; E132-N136 VanDerWaalsContact O-CB 3.31Å; E132-N136 WeakPolarHBondContact O-CB 3.25Å; E132-N136 VanDerWaalsContact O-CG 3.29Å; E132-N136 PolarHBondContact O-N 3.06Å; E132-N136 PolarHBondContact O-ND2 2.83Å; K133-N136 PolarHBondContact O-N 2.87Å; N136-K139 PolarHBondContact O-N 3.29Å; N136-Q140 WeakPolarHBondContact O-CB 3.26Å; N136-Q140 VanDerWaalsContact O-CG 3.27Å; N136-Q140 WeakPolarHBondContact O-CG 3.45Å; N136-Q140 PolarHBondContact O-N 3.4Å
137	L	98.6	Very high	98.3	Very high	22 Å²	22	58 Å²	58	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-50	177	174.7	65.4	0	0	0	111.3	I86 I88 H126 K133 E135 K139 Q140 A141	I86-L137 HydrophobicContact CG2-CD2 3.93Å; I88-L137 HydrophobicContact CD1-CD2 4.07Å; I88-L137 HydrophobicContact CG1-CD2 4.17Å; H126-L137 HydrophobicContact CB-CD2 3.98Å; H126-L137 VanDerWaalsContact CE1-CD1 3.48Å; H126-L137 WeakPolarHBondContact CE1-CD1 3.18Å; K133-L137 WeakPolarHBondContact O-CB 3.24Å; K133-L137 PolarHBondContact O-N 3.24Å; E135-L137 PolarHBondContact O-N 3.25Å; L137-K139 VanDerWaalsContact C-N 3.35Å; L137-Q140 PolarHBondContact O-N 2.97Å; L137-A141 WeakPolarHBondContact O-CB 2.99Å; L137-A141 PolarHBondContact O-N 3.45Å
138	L	98.4	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-74.2	-28.2	-177.6	-69.4	176.3	0	0	0	112.3	I86 I88 M134 E135 A141 S142 F152 I177 L180 F181	I86-L138 HydrophobicContact CD1-CD2 4.05Å; I86-L138 HydrophobicContact CG2-CD2 4.34Å; I88-L138 HydrophobicContact CD1-CD1 4.1Å; I88-L138 HydrophobicContact CD1-CG 4.32Å; M134-L138 WeakPolarHBondContact O-CB 3.09Å; M134-L138 WeakPolarHBondContact O-CG 3.5Å; M134-L138 PolarHBondContact O-N 2.95Å; E135-L138 PolarHBondContact O-N 2.86Å; L138-A141 PolarHBondContact O-N 3.02Å; L138-S142 WeakPolarHBondContact O-CB 3.49Å; L138-S142 PolarHBondContact O-N 3.17Å; L138-F152 HydrophobicContact CD2-CZ 4.45Å; L138-I177 HydrophobicContact CD1-CB 3.6Å; L138-I177 HydrophobicContact CD1-CD1 3.8Å; L138-I177 HydrophobicContact CD1-CG1 4.17Å; L138-I177 HydrophobicContact CD1-CG2 3.95Å; L138-L180 HydrophobicContact CB-CD1 4.11Å; L138-F181 HydrophobicContact CB-CE2 4.16Å; L138-F181 HydrophobicContact CB-CZ 4.45Å; L138-F181 HydrophobicContact CD2-CE2 4.32Å; L138-F181 HydrophobicContact CD2-CZ 4.28Å; L138-F181 WeakPolarHBondContact O-CZ 3.43Å
139	K	98.4	Very high	98.1	Very high	82 Å²	82	53.8 Å²	53.8	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-49.5	170.9	-177.8	175.6	-179.2	-64.7	0	110.8	E135 N136 L137 A141 S142 E143 L180	E135-K139 WeakPolarHBondContact O-CB 3.34Å; E135-K139 PolarHBondContact O-N 2.79Å; N136-K139 PolarHBondContact O-N 3.29Å; L137-K139 VanDerWaalsContact C-N 3.35Å; K139-A141 VanDerWaalsContact C-N 3.31Å; K139-A141 PolarHBondContact O-N 3.07Å; K139-S142 PolarHBondContact O-N 3Å; K139-S142 VanDerWaalsContact O-N 3.11Å; K139-S142 PolarHBondContact O-OG 2.96Å; K139-E143 IonicContact NZ-OE1 2.7Å; K139-E143 PolarHBondContact NZ-OE1 2.57Å; K139-E143 IonicContact NZ-OE2 3.65Å; K139-E143 WeakPolarHBondContact O-CG 3.36Å; K139-E143 PolarHBondContact O-N 2.85Å; K139-L180 HydrophobicContact CB-CD1 4.09Å; K139-L180 HydrophobicContact CB-CD2 4.45Å
140	Q	98.5	Very high	98.1	Very high	122 Å²	122	52.3 Å²	52.3	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-57.4	-46.6	174.5	-72.2	172.9	18.8	0	0	111.1	N136 L137 S142 E143 E144	N136-Q140 WeakPolarHBondContact O-CB 3.26Å; N136-Q140 VanDerWaalsContact O-CG 3.27Å; N136-Q140 WeakPolarHBondContact O-CG 3.45Å; N136-Q140 PolarHBondContact O-N 3.4Å; L137-Q140 PolarHBondContact O-N 2.97Å; Q140-S142 VanDerWaalsContact C-N 3.29Å; Q140-S142 PolarHBondContact O-N 2.76Å; Q140-E143 PolarHBondContact O-N 2.81Å; Q140-E144 PolarHBondContact O-N 3.36Å
141	A	98.4	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-37.4	176.6	0	0	0	0	0	112.8	I86 L137 L138 K139 E143 E144 H146 F181	I86-A141 HydrophobicContact CD1-CB 3.44Å; I86-A141 VanDerWaalsContact CD1-CB 3.44Å; L137-A141 WeakPolarHBondContact O-CB 2.99Å; L137-A141 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 3.02Å; K139-A141 VanDerWaalsContact C-N 3.31Å; K139-A141 PolarHBondContact O-N 3.07Å; A141-E143 VanDerWaalsContact C-N 3.28Å; A141-E143 PolarHBondContact O-N 3.34Å; A141-E144 WeakPolarHBondContact CA-OE1 3.37Å; A141-E144 PolarHBondContact O-N 3.24Å; A141-H146 PolarHBondContact O-CE1 3.05Å; A141-H146 PolarHBondContact O-NE2 2.85Å; A141-F181 HydrophobicContact CB-CE1 4.5Å; A141-F181 HydrophobicContact CB-CZ 4.17Å
142	S	97.6	Very high	98.1	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-22	176.3	75.9	0	0	0	0	113.9	L138 K139 Q140 C186	L138-S142 WeakPolarHBondContact O-CB 3.49Å; L138-S142 PolarHBondContact O-N 3.17Å; K139-S142 PolarHBondContact O-N 3Å; K139-S142 VanDerWaalsContact O-N 3.11Å; K139-S142 PolarHBondContact O-OG 2.96Å; Q140-S142 VanDerWaalsContact C-N 3.29Å; Q140-S142 PolarHBondContact O-N 2.76Å; S142-C186 PolarHBondContact O-SG 3.24Å
143	E	98.1	Very high	98.1	Very high	128 Å²	128	43.8 Å²	43.8	60%	0.598	22%	0.218	S	C	*	.	H	α-helix	trans	-89.7	-8.9	179.3	-70.5	170.3	175.1	0	0	112.5	K139 Q140 A141	K139-E143 IonicContact NZ-OE1 2.7Å; K139-E143 PolarHBondContact NZ-OE1 2.57Å; K139-E143 IonicContact NZ-OE2 3.65Å; K139-E143 WeakPolarHBondContact O-CG 3.36Å; K139-E143 PolarHBondContact O-N 2.85Å; Q140-E143 PolarHBondContact O-N 2.81Å; A141-E143 VanDerWaalsContact C-N 3.28Å; A141-E143 PolarHBondContact O-N 3.34Å
144	E	98.2	Very high	98.1	Very high	73 Å²	73	38.5 Å²	38.5	34%	0.341	20%	0.195	S	C	.	.	S	Bend	trans	-65.7	155.8	172.9	-71.9	169.1	-145	0	0	112.6	K84 Q140 A141 H146 S188	K84-E144 WeakPolarHBondContact CD-OE2 3.29Å; K84-E144 VanDerWaalsContact NZ-CD 3.25Å; K84-E144 IonicContact NZ-OE1 3.63Å; K84-E144 PolarHBondContact NZ-OE1 2.97Å; K84-E144 IonicContact NZ-OE2 3.45Å; K84-E144 PolarHBondContact NZ-OE2 3.47Å; Q140-E144 PolarHBondContact O-N 3.36Å; A141-E144 WeakPolarHBondContact CA-OE1 3.37Å; A141-E144 PolarHBondContact O-N 3.24Å; E144-H146 PolarHBondContact O-CD2 3.24Å; E144-H146 PolarHBondContact O-N 3.2Å; E144-S188 PolarHBondContact O-OG 3.37Å
145	D	97.8	Very high	98.1	Very high	107 Å²	107	38.6 Å²	38.6	57%	0.572	20%	0.195	S	C	*	.			trans	-83.4	103.3	172.2	-174.8	16.2	0	0	0	111.5	S147	D145-S147 VanDerWaalsContact C-N 3.35Å; D145-S147 WeakPolarHBondContact OD1-CB 3.28Å; D145-S147 PolarHBondContact OD1-N 2.98Å; D145-S147 PolarHBondContact OD1-OG 3.14Å
146	H	97.8	Very high	98.1	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.014	18%	0.178	C	C	.	.			trans	-90.6	10.1	176.3	-58	-80.1	0	0	0	113.6	A141 E144 D148 S149 S188 L189 K192	A141-H146 PolarHBondContact O-CE1 3.05Å; A141-H146 PolarHBondContact O-NE2 2.85Å; E144-H146 PolarHBondContact O-CD2 3.24Å; E144-H146 PolarHBondContact O-N 3.2Å; H146-D148 PolarHBondContact O-N 2.93Å; H146-D148 VanDerWaalsContact O-N 3.14Å; H146-S149 WeakPolarHBondContact O-CB 3.12Å; H146-S149 PolarHBondContact O-N 2.75Å; H146-S188 PolarHBondContact CD2-OG 2.92Å; H146-S188 PolarHBondContact N-OG 2.96Å; H146-L189 HydrophobicContact CB-CD1 4.48Å; H146-L189 HydrophobicContact CB-CD2 3.48Å; H146-L189 VanDerWaalsContact CB-CD2 3.48Å; H146-L189 HydrophobicContact CB-CG 3.64Å; H146-K192 PolarHBondContact O-NZ 3.46Å
147	S	96.3	Very high	98.1	Very high	65 Å²	65	31.6 Å²	31.6	46%	0.455	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.9	-172.5	-64.4	0	0	0	0	113.2	D145 K192	D145-S147 VanDerWaalsContact C-N 3.35Å; D145-S147 WeakPolarHBondContact OD1-CB 3.28Å; D145-S147 PolarHBondContact OD1-N 2.98Å; D145-S147 PolarHBondContact OD1-OG 3.14Å; S147-K192 VanDerWaalsContact C-NZ 3.34Å; S147-K192 PolarHBondContact O-NZ 3.14Å
148	D	96.8	Very high	98	Very high	45 Å²	45	30.6 Å²	30.6	24%	0.241	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.7	178.1	76.8	-28.7	0	0	0	114.5	Y79 R80 R81 H146	Y79-D148 VanDerWaalsContact CB-O 3.32Å; Y79-D148 WeakPolarHBondContact CB-O 3.45Å; R80-D148 HydrophobicContact CB-CB 4.28Å; R80-D148 PolarHBondContact N-O 3.48Å; R81-D148 IonicContact CZ-OD1 3.24Å; R81-D148 IonicContact CZ-OD2 3.68Å; R81-D148 PolarHBondContact N-O 2.94Å; R81-D148 IonicContact NE-OD1 2.71Å; R81-D148 PolarHBondContact NE-OD1 3.36Å; R81-D148 IonicContact NE-OD2 3.45Å; R81-D148 PolarHBondContact NE-OD2 3.11Å; R81-D148 VanDerWaalsContact NH2-CG 3.35Å; R81-D148 IonicContact NH2-OD1 3.85Å; R81-D148 PolarHBondContact NH2-OD1 2.79Å; R81-D148 IonicContact NH2-OD2 3.04Å; R81-D148 PolarHBondContact NH2-OD2 2.99Å; H146-D148 PolarHBondContact O-N 2.93Å; H146-D148 VanDerWaalsContact O-N 3.14Å
149	S	97.6	Very high	97.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-100	145.2	177.5	-63.6	0	0	0	0	110.9	R81 H146 K192	R81-S149 CarbonylContact O-C 3.59Å; R81-S149 WeakPolarHBondContact O-CA 3.36Å; H146-S149 WeakPolarHBondContact O-CB 3.12Å; H146-S149 PolarHBondContact O-N 2.75Å; S149-K192 VanDerWaalsContact O-CD 3.26Å; S149-K192 WeakPolarHBondContact O-CD 3.46Å; S149-K192 VanDerWaalsContact O-CE 3.22Å; S149-K192 WeakPolarHBondContact O-CE 3.45Å; S149-K192 PolarHBondContact O-NZ 2.87Å
150	S	97.8	Very high	96.9	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.14	C	C	.	.	S	Bend	trans	-77.5	-38	177.5	-62.2	0	0	0	0	112.8	M77 Y79 R81 V82 K192	M77-S150 WeakPolarHBondContact CA-OG 3.39Å; M77-S150 PolarHBondContact O-OG 2.65Å; Y79-S150 WeakPolarHBondContact CB-OG 3.46Å; Y79-S150 WeakPolarHBondContact CD2-OG 3.46Å; Y79-S150 PolarHBondContact N-OG 3.46Å; R81-S150 PolarHBondContact O-N 2.9Å; R81-S150 PolarHBondContact O-OG 2.94Å; V82-S150 CarbonylContact O-C 3.53Å; V82-S150 WeakPolarHBondContact O-CA 3.46Å; V82-S150 WeakPolarHBondContact O-CB 3.37Å; V82-S150 PolarHBondContact O-N 3.34Å; S150-K192 WeakPolarHBondContact O-CB 3.43Å
151	C	98.2	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.			trans	-154	-177.5	-179.2	64	0	0	0	0	111.5	V82 G83 F121 P193	V82-C151 PolarHBondContact O-N 2.89Å; G83-C151 WeakPolarHBondContact CA-O 3.47Å; F121-C151 VanDerWaalsContact CE1-SG 3.52Å; F121-C151 WeakPolarHBondContact CZ-SG 3.44Å; C151-P193 WeakPolarHBondContact CA-O 3.45Å; C151-P193 HydrophobicContact CB-CB 3.9Å; C151-P193 HydrophobicContact CB-CG 4.04Å; C151-P193 VanDerWaalsContact CB-O 3.26Å; C151-P193 WeakPolarHBondContact CB-O 3.25Å
152	F	98.7	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.6	170.5	170.7	-98.9	0	0	0	109.7	K84 I86 L138 C154 F181 L189 P193 L195 F196	K84-F152 HydrophobicContact CB-CD2 4.3Å; I86-F152 HydrophobicContact CD1-CE2 4.2Å; I86-F152 HydrophobicContact CD1-CZ 4.34Å; I86-F152 HydrophobicContact CG1-CE2 4.45Å; L138-F152 HydrophobicContact CD2-CZ 4.45Å; F152-C154 HydrophobicContact CE1-CB 3.71Å; F152-C154 HydrophobicContact CZ-CB 3.92Å; F152-F181 AromaticContact CD1-CD1 3.97Å; F152-F181 HydrophobicContact CD1-CD1 3.97Å; F152-F181 AromaticContact CD1-CE1 3.88Å; F152-F181 HydrophobicContact CD1-CE1 3.88Å; F152-F181 HydrophobicContact CD1-CZ 4.36Å; F152-F181 HydrophobicContact CD2-CE1 4.22Å; F152-F181 AromaticContact CE1-CD1 3.96Å; F152-F181 HydrophobicContact CE1-CD1 3.96Å; F152-F181 HydrophobicContact CE1-CD2 4.39Å; F152-F181 AromaticContact CE1-CE1 3.53Å; F152-F181 HydrophobicContact CE1-CE1 3.53Å; F152-F181 AromaticContact CE1-CE2 4Å; F152-F181 HydrophobicContact CE1-CE2 4Å; F152-F181 HydrophobicContact CE1-CG 4.37Å; F152-F181 AromaticContact CE1-CZ 3.55Å; F152-F181 HydrophobicContact CE1-CZ 3.55Å; F152-F181 AromaticContact CE2-CE1 3.91Å; F152-F181 HydrophobicContact CE2-CE1 3.91Å; F152-F181 HydrophobicContact CE2-CZ 4.13Å; F152-F181 HydrophobicContact CG-CD1 4.43Å; F152-F181 HydrophobicContact CG-CE1 4.21Å; F152-F181 HydrophobicContact CZ-CD1 4.42Å; F152-F181 AromaticContact CZ-CE1 3.54Å; F152-F181 HydrophobicContact CZ-CE1 3.54Å; F152-F181 HydrophobicContact CZ-CE2 4.21Å; F152-F181 AromaticContact CZ-CZ 3.42Å; F152-F181 HydrophobicContact CZ-CZ 3.42Å; F152-F181 VanDerWaalsContact CZ-CZ 3.42Å; F152-L189 HydrophobicContact CB-CD1 3.65Å; F152-L189 HydrophobicContact CB-CD2 4.11Å; F152-L189 HydrophobicContact CG-CD1 4.18Å; F152-P193 PolarHBondContact N-O 2.89Å; F152-L195 PolarHBondContact O-N 2.94Å; F152-F196 HydrophobicContact CE1-CE1 4.48Å; F152-F196 HydrophobicContact CE1-CZ 4.08Å
153	A	98.8	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.5	173.1	0	0	0	0	0	111.9	K84 C85 I86 F116 F121 L195	K84-A153 PolarHBondContact O-N 3.41Å; C85-A153 VanDerWaalsContact CA-O 3.26Å; C85-A153 WeakPolarHBondContact CA-O 3.15Å; C85-A153 HydrophobicContact CB-CB 4.12Å; I86-A153 PolarHBondContact N-O 3.37Å; F116-A153 HydrophobicContact CD1-CB 4.41Å; F116-A153 HydrophobicContact CE1-CB 4.21Å; F121-A153 HydrophobicContact CD1-CB 4.19Å; F121-A153 HydrophobicContact CE1-CB 3.67Å; F121-A153 HydrophobicContact CZ-CB 4.09Å; A153-L195 CarbonylContact C-O 3.56Å; A153-L195 VanDerWaalsContact CA-O 3.29Å; A153-L195 WeakPolarHBondContact CA-O 3.32Å; A153-L195 HydrophobicContact CB-CB 4.37Å
154	C	98.8	Very high	93.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.2	170.5	-178.6	0	0	0	0	109.3	I86 F152 L195 F196 F197	I86-C154 CarbonylContact O-C 3.57Å; I86-C154 WeakPolarHBondContact O-CA 3.16Å; F152-C154 HydrophobicContact CE1-CB 3.71Å; F152-C154 HydrophobicContact CZ-CB 3.92Å; C154-L195 PolarHBondContact N-O 2.97Å; C154-F196 HydrophobicContact CB-CD1 3.65Å; C154-F196 HydrophobicContact CB-CE1 3.59Å; C154-F196 HydrophobicContact CB-CG 4.48Å; C154-F196 HydrophobicContact CB-CZ 4.37Å; C154-F196 CarbonylContact O-C 3.57Å; C154-F196 VanDerWaalsContact O-CA 3.28Å; C154-F196 WeakPolarHBondContact O-CA 3.46Å; C154-F197 PolarHBondContact O-N 2.9Å
155	I	98.8	Very high	92.9	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.6	-178.8	-50.5	174.1	0	0	0	108.1	I86 I87 I88 L112 F116 L157 F197	I86-I155 PolarHBondContact O-N 3.36Å; I87-I155 CarbonylContact C-O 3.57Å; I87-I155 WeakPolarHBondContact CA-O 3.27Å; I87-I155 HydrophobicContact CD1-CD1 4.2Å; I87-I155 HydrophobicContact CG1-CB 4.23Å; I87-I155 HydrophobicContact CG1-CD1 4.05Å; I87-I155 HydrophobicContact CG1-CG1 4.47Å; I87-I155 HydrophobicContact CG2-CB 4.48Å; I88-I155 PolarHBondContact N-O 2.98Å; L112-I155 HydrophobicContact CB-CD1 4.29Å; L112-I155 HydrophobicContact CD1-CG2 3.78Å; L112-I155 HydrophobicContact CD2-CD1 4.24Å; F116-I155 HydrophobicContact CD1-CD1 4.26Å; F116-I155 HydrophobicContact CD2-CD1 3.7Å; F116-I155 HydrophobicContact CE1-CD1 4.09Å; F116-I155 HydrophobicContact CE2-CD1 3.52Å; F116-I155 HydrophobicContact CG-CD1 4.07Å; F116-I155 HydrophobicContact CZ-CD1 3.73Å; F116-I155 HydrophobicContact CZ-CG1 4.48Å; I155-L157 HydrophobicContact CG2-CD2 3.89Å; I155-L157 HydrophobicContact CG2-CG 4.38Å; I155-F197 CarbonylContact C-O 3.57Å; I155-F197 VanDerWaalsContact CA-O 3.3Å; I155-F197 WeakPolarHBondContact CA-O 3.27Å; I155-F197 HydrophobicContact CB-CB 4.47Å; I155-F197 HydrophobicContact CG1-CB 4.14Å; I155-F197 HydrophobicContact CG1-CD2 4Å; I155-F197 HydrophobicContact CG1-CG 4.42Å; I155-F197 HydrophobicContact CG2-CB 4.12Å
156	L	98.3	Very high	92.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.3	-178.7	-56.4	176.8	0	0	0	108.8	I88 I165 I177 F197 I198 Q199	I88-L156 HydrophobicContact CB-CD2 4.02Å; I88-L156 HydrophobicContact CD1-CD2 3.79Å; I88-L156 HydrophobicContact CG1-CD2 4.12Å; L156-I165 HydrophobicContact CB-CD1 4.38Å; L156-I165 HydrophobicContact CD1-CG1 4.5Å; L156-I177 HydrophobicContact CD1-CD1 3.58Å; L156-I177 HydrophobicContact CD2-CD1 4.23Å; L156-F197 PolarHBondContact N-O 3.24Å; L156-I198 HydrophobicContact CD1-CG1 4.29Å; L156-Q199 PolarHBondContact O-N 2.88Å
157	L	98.1	Very high	92.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	101.2	174	-45.4	177.5	0	0	0	107.8	I87 I88 N89 N90 R102 D108 A109 L112 I155 Q199 V260	I87-L157 HydrophobicContact CG2-CD1 4.23Å; I88-L157 PolarHBondContact O-N 3.17Å; N89-L157 HydrophobicContact CB-CD1 4.41Å; N90-L157 PolarHBondContact N-O 2.75Å; R102-L157 VanDerWaalsContact NH1-C 3.28Å; R102-L157 PolarHBondContact NH1-O 2.81Å; D108-L157 HydrophobicContact CB-CD1 4.04Å; A109-L157 HydrophobicContact CB-CD1 3.93Å; L112-L157 HydrophobicContact CD1-CD1 4.05Å; L112-L157 HydrophobicContact CD1-CD2 3.81Å; L112-L157 HydrophobicContact CD1-CG 4.43Å; I155-L157 HydrophobicContact CG2-CD2 3.89Å; I155-L157 HydrophobicContact CG2-CG 4.38Å; L157-Q199 HydrophobicContact CD2-CB 3.67Å; L157-Q199 HydrophobicContact CD2-CG 4.31Å; L157-V260 HydrophobicContact CD2-CG2 4.16Å
158	S	96.3	Very high	93	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	11%	0.105	C	C	.	.	S	Bend	trans	-158.3	179.2	-178.7	-162.2	0	0	0	0	112.2	N90 F93 R102 Y166 Q199 A200	N90-S158 WeakPolarHBondContact CB-OG 3.4Å; F93-S158 WeakPolarHBondContact CE1-OG 3.26Å; F93-S158 WeakPolarHBondContact CZ-OG 3.31Å; R102-S158 PolarHBondContact NE-O 3.38Å; S158-Y166 WeakPolarHBondContact CB-O 3.07Å; S158-Y166 PolarHBondContact OG-O 2.97Å; S158-Q199 PolarHBondContact N-O 2.92Å; S158-Q199 VanDerWaalsContact N-O 3.13Å; S158-A200 WeakPolarHBondContact O-CA 3.48Å; S158-A200 WeakPolarHBondContact O-CB 3.36Å
159	H	90.6	Very high	93	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.019	11%	0.107	C	C	.	.			trans	-67.7	155.9	159.2	-73.5	-64.9	0	0	0	110.4	D34 F93 M99 N100 R102 I165 Y166	D34-H159 PolarHBondContact O-ND1 3.24Å; F93-H159 AromaticContact CD2-CD2 3.6Å; F93-H159 HydrophobicContact CE1-CB 4.45Å; F93-H159 AromaticContact CE2-CD2 3.29Å; F93-H159 WeakPolarHBondContact CE2-CD2 3.34Å; F93-H159 AromaticContact CE2-NE2 3.9Å; F93-H159 HydrophobicContact CZ-CB 4.37Å; F93-H159 AromaticContact CZ-CD2 3.52Å; M99-H159 HydrophobicContact CG-CB 4.21Å; M99-H159 HydrophobicContact SD-CB 3.99Å; N100-H159 PolarHBondContact O-NE2 3.37Å; R102-H159 VanDerWaalsContact CG-NE2 3.28Å; R102-H159 WeakPolarHBondContact CG-NE2 3.38Å; H159-I165 WeakPolarHBondContact O-CD1 3.49Å; H159-Y166 HydrophobicContact CB-CD2 3.85Å; H159-Y166 HydrophobicContact CB-CG 4Å; H159-Y166 PolarHBondContact O-N 2.88Å
160	G	83.4	Confident	93	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	167.1	179	0	0	0	0	0	112.8	M164 C201	G160-M164 WeakPolarHBondContact CA-O 3.28Å; G160-C201 CarbonylContact C-O 3.1Å; G160-C201 WeakPolarHBondContact CA-O 3.44Å; G160-C201 WeakPolarHBondContact O-CB 3.48Å
161	E	76.2	Confident	92.7	Very high	91 Å²	91	23.8 Å²	23.8	43%	0.425	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	-177.5	174.2	-70	172	-148.1	0	0	107.8	G163 M164 Y166 C201	E161-G163 PolarHBondContact O-N 3.32Å; E161-M164 HydrophobicContact CB-CB 4.37Å; E161-M164 PolarHBondContact N-O 3.19Å; E161-M164 PolarHBondContact O-N 2.65Å; E161-M164 VanDerWaalsContact O-O 3.12Å; E161-Y166 HydrophobicContact CG-CE2 4.28Å; E161-Y166 PolarHBondContact OE1-OH 3.5Å; E161-C201 PolarHBondContact N-O 2.86Å
162	E	76.8	Confident	92.4	Very high	137 Å²	137	24.4 Å²	24.4	64%	0.64	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	109.5	-177.4	-166.8	174	-173	0	0	112	M164 R202	E162-M164 PolarHBondContact O-N 3.06Å; E162-R202 WeakPolarHBondContact CA-O 3.38Å; E162-R202 WeakPolarHBondContact CB-O 3.36Å; E162-R202 PolarHBondContact N-O 3.08Å
163	G	77.4	Confident	92	Very high	34 Å²	34	27 Å²	27	35%	0.351	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	1.8	179.9	0	0	0	0	0	115.5	E161 I174	E161-G163 PolarHBondContact O-N 3.32Å; G163-I174 PolarHBondContact O-N 2.93Å
164	M	85.9	Confident	91.6	Very high	58 Å²	58	27.5 Å²	27.5	29%	0.286	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.8	-174.6	-57.5	-66.9	-83.4	0	0	111.3	G160 E161 E162 A171 M172 P173	G160-M164 WeakPolarHBondContact CA-O 3.28Å; E161-M164 HydrophobicContact CB-CB 4.37Å; E161-M164 PolarHBondContact N-O 3.19Å; E161-M164 PolarHBondContact O-N 2.65Å; E161-M164 VanDerWaalsContact O-O 3.12Å; E162-M164 PolarHBondContact O-N 3.06Å; M164-A171 HydrophobicContact CB-CB 4.46Å; M164-A171 HydrophobicContact CE-CB 4.2Å; M164-M172 CarbonylContact C-O 3.59Å; M164-M172 WeakPolarHBondContact CA-O 3.46Å; M164-P173 HydrophobicContact CE-CG 4.16Å; M164-P173 WeakPolarHBondContact SD-CA 3.38Å; M164-P173 HydrophobicContact SD-CB 3.95Å; M164-P173 HydrophobicContact SD-CG 3.77Å
165	I	91.9	Very high	90.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.5	174.5	-169.8	74.9	0	0	0	108.9	L156 H159 M172 I174 I177 A200	L156-I165 HydrophobicContact CB-CD1 4.38Å; L156-I165 HydrophobicContact CD1-CG1 4.5Å; H159-I165 WeakPolarHBondContact O-CD1 3.49Å; I165-M172 HydrophobicContact CG2-CG 3.91Å; I165-M172 PolarHBondContact N-O 2.87Å; I165-M172 PolarHBondContact O-N 2.88Å; I165-I174 HydrophobicContact CB-CD1 4.45Å; I165-I174 HydrophobicContact CB-CG1 3.83Å; I165-I174 HydrophobicContact CG2-CG1 3.92Å; I165-I177 HydrophobicContact CG2-CD1 4.36Å; I165-A200 HydrophobicContact CD1-CB 3.5Å
166	Y	96.5	Very high	90.4	Very high	26 Å²	26	36.8 Å²	36.8	10%	0.102	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.1	178.3	-81.8	-102.9	0	0	0	111.6	N90 M99 S158 H159 E161 A170 A171	N90-Y166 PolarHBondContact ND2-O 3.35Å; M99-Y166 HydrophobicContact CG-CD1 4.01Å; M99-Y166 HydrophobicContact CG-CE1 3.91Å; S158-Y166 WeakPolarHBondContact CB-O 3.07Å; S158-Y166 PolarHBondContact OG-O 2.97Å; H159-Y166 HydrophobicContact CB-CD2 3.85Å; H159-Y166 HydrophobicContact CB-CG 4Å; H159-Y166 PolarHBondContact O-N 2.88Å; E161-Y166 HydrophobicContact CG-CE2 4.28Å; E161-Y166 PolarHBondContact OE1-OH 3.5Å; Y166-A170 CarbonylContact C-O 3.56Å; Y166-A170 WeakPolarHBondContact CA-O 3.46Å; Y166-A171 HydrophobicContact CD1-CB 4.2Å; Y166-A171 HydrophobicContact CD2-CB 4.07Å; Y166-A171 HydrophobicContact CE1-CB 4.02Å; Y166-A171 HydrophobicContact CE2-CB 3.89Å; Y166-A171 HydrophobicContact CG-CB 4.23Å
167	G	97.9	Very high	90.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.			trans	-73.3	177.3	147.3	0	0	0	0	0	110.1	F93 Q129 M134 D169 A170	F93-G167 WeakPolarHBondContact CD1-O 3.48Å; Q129-G167 CarbonylContact O-C 3.57Å; Q129-G167 VanDerWaalsContact O-CA 3.24Å; Q129-G167 WeakPolarHBondContact O-CA 3.4Å; M134-G167 VanDerWaalsContact CE-N 3.32Å; G167-D169 PolarHBondContact O-N 2.9Å; G167-A170 PolarHBondContact N-O 2.62Å
168	T	98.3	Very high	89.8	Confident	12 Å²	12	37.2 Å²	37.2	7%	0.074	21%	0.206	C	C	.	.	S	Bend	trans	-63.5	-25.3	176.8	61.4	0	0	0	0	112.8	N92 F93 D94 D128 Q129 T130	N92-T168 VanDerWaalsContact O-CG2 3.25Å; N92-T168 WeakPolarHBondContact O-CG2 3.4Å; F93-T168 WeakPolarHBondContact CA-O 3.22Å; D94-T168 WeakPolarHBondContact CB-O 3.32Å; D94-T168 PolarHBondContact N-O 2.74Å; D128-T168 HydrophobicContact CB-CG2 3.79Å; Q129-T168 PolarHBondContact O-N 2.87Å; T130-T168 WeakPolarHBondContact CG2-OG1 3.4Å
169	D	97.7	Very high	89.5	Confident	52 Å²	52	38.2 Å²	38.2	28%	0.278	21%	0.213	S	C	.	.	S	Bend	trans	-103.5	-31.3	-170.6	59.2	-33	0	0	0	114.3	D94 T97 T130 C131 G167	D94-D169 WeakPolarHBondContact OD2-CA 3.47Å; T97-D169 WeakPolarHBondContact CG2-O 3.16Å; T130-D169 WeakPolarHBondContact CA-OD1 3.42Å; T130-D169 WeakPolarHBondContact CB-OD1 3.3Å; T130-D169 HydrophobicContact CG2-CB 4.19Å; C131-D169 PolarHBondContact N-OD1 2.77Å; G167-D169 PolarHBondContact O-N 2.9Å
170	A	96.2	Very high	89.7	Confident	42 Å²	42	38.9 Å²	38.9	35%	0.347	22%	0.216	S	C	.	.			trans	-161.9	173.5	-176.2	0	0	0	0	0	112.5	C131 Y166 G167	C131-A170 PolarHBondContact SG-O 3.13Å; Y166-A170 CarbonylContact C-O 3.56Å; Y166-A170 WeakPolarHBondContact CA-O 3.46Å; G167-A170 PolarHBondContact N-O 2.62Å
171	A	91.6	Very high	90.3	Very high	35 Å²	35	38.9 Å²	38.9	29%	0.289	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.9	167.4	0	0	0	0	0	111.7	M164 Y166	M164-A171 HydrophobicContact CB-CB 4.46Å; M164-A171 HydrophobicContact CE-CB 4.2Å; Y166-A171 HydrophobicContact CD1-CB 4.2Å; Y166-A171 HydrophobicContact CD2-CB 4.07Å; Y166-A171 HydrophobicContact CE1-CB 4.02Å; Y166-A171 HydrophobicContact CE2-CB 3.89Å; Y166-A171 HydrophobicContact CG-CB 4.23Å
172	M	92.4	Very high	90.9	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.059	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.2	172	68.5	179.2	-55.5	0	0	112.1	C131 M134 E135 M164 I165 I174 T176 I177	C131-M172 HydrophobicContact CB-CB 4.39Å; C131-M172 HydrophobicContact CB-CG 4.49Å; C131-M172 HydrophobicContact CB-SD 3.97Å; M134-M172 HydrophobicContact CB-SD 4.38Å; M134-M172 HydrophobicContact CE-CG 4.14Å; M134-M172 HydrophobicContact CE-SD 3.59Å; M134-M172 VanDerWaalsContact CE-SD 3.59Å; E135-M172 HydrophobicContact CB-CE 4.22Å; M164-M172 CarbonylContact C-O 3.59Å; M164-M172 WeakPolarHBondContact CA-O 3.46Å; I165-M172 HydrophobicContact CG2-CG 3.91Å; I165-M172 PolarHBondContact N-O 2.87Å; I165-M172 PolarHBondContact O-N 2.88Å; M172-I174 PolarHBondContact O-N 2.87Å; M172-T176 HydrophobicContact CE-CG2 3.72Å; M172-I177 HydrophobicContact CE-CG2 3.61Å; M172-I177 HydrophobicContact SD-CG2 4.17Å
173	P	91.3	Very high	90.9	Very high	55 Å²	55	31.4 Å²	31.4	36%	0.357	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	131.3	176.2	-19.3	31.5	0	0	0	111.6	M164 K175 T176	M164-P173 HydrophobicContact CE-CG 4.16Å; M164-P173 WeakPolarHBondContact SD-CA 3.38Å; M164-P173 HydrophobicContact SD-CB 3.95Å; M164-P173 HydrophobicContact SD-CG 3.77Å; P173-K175 PolarHBondContact O-N 3.17Å; P173-K175 VanDerWaalsContact O-N 3.17Å; P173-T176 VanDerWaalsContact O-CB 3.26Å; P173-T176 WeakPolarHBondContact O-CB 3.29Å; P173-T176 PolarHBondContact O-N 2.95Å; P173-T176 PolarHBondContact O-OG1 3.02Å
174	I	88.6	Confident	91.1	Very high	10 Å²	10	33 Å²	33	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-35.1	173.7	-66.6	169.1	0	0	0	110.2	G163 I165 M172 T176 I177 T178 I198 Y241	G163-I174 PolarHBondContact O-N 2.93Å; I165-I174 HydrophobicContact CB-CD1 4.45Å; I165-I174 HydrophobicContact CB-CG1 3.83Å; I165-I174 HydrophobicContact CG2-CG1 3.92Å; M172-I174 PolarHBondContact O-N 2.87Å; I174-T176 PolarHBondContact O-N 3.33Å; I174-I177 WeakPolarHBondContact O-CG1 3.49Å; I174-I177 PolarHBondContact O-N 2.9Å; I174-T178 HydrophobicContact CG2-CG2 3.78Å; I174-T178 WeakPolarHBondContact O-CG2 3.41Å; I174-T178 PolarHBondContact O-N 2.7Å; I174-T178 PolarHBondContact O-OG1 3.28Å; I174-I198 HydrophobicContact CD1-CG2 4.31Å; I174-I198 HydrophobicContact CG2-CD1 4.1Å; I174-Y241 HydrophobicContact CD1-CE1 4.17Å
175	K	84.9	Confident	91.2	Very high	152 Å²	152	35.4 Å²	35.4	66%	0.661	19%	0.191	S	C	*	.	H	α-helix	trans	-58.6	-31.8	177	-170.4	174.2	-179.3	177.8	0	113.2	P173 I177 T178 S179	P173-K175 PolarHBondContact O-N 3.17Å; P173-K175 VanDerWaalsContact O-N 3.17Å; K175-I177 VanDerWaalsContact C-N 3.35Å; K175-I177 PolarHBondContact O-N 2.71Å; K175-T178 WeakPolarHBondContact CA-OG1 3.4Å; K175-S179 WeakPolarHBondContact O-CB 3.42Å; K175-S179 PolarHBondContact O-N 2.82Å; K175-S179 PolarHBondContact O-OG 2.86Å
176	T	87.6	Confident	91.3	Very high	45 Å²	45	35.4 Å²	35.4	28%	0.276	19%	0.191	S	C	.	.	H	α-helix	trans	-57.6	-51.2	178.8	-61.9	0	0	0	0	110	M172 P173 I174 S179	M172-T176 HydrophobicContact CE-CG2 3.72Å; P173-T176 VanDerWaalsContact O-CB 3.26Å; P173-T176 WeakPolarHBondContact O-CB 3.29Å; P173-T176 PolarHBondContact O-N 2.95Å; P173-T176 PolarHBondContact O-OG1 3.02Å; I174-T176 PolarHBondContact O-N 3.33Å; T176-S179 PolarHBondContact O-OG 3.29Å; T176-S179 VanDerWaalsContact O-OG 3.09Å
177	I	93.4	Very high	91	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-79	-35.3	-177	56.2	174.9	0	0	0	113.8	L138 L156 I165 M172 I174 K175 L180	L138-I177 HydrophobicContact CD1-CB 3.6Å; L138-I177 HydrophobicContact CD1-CD1 3.8Å; L138-I177 HydrophobicContact CD1-CG1 4.17Å; L138-I177 HydrophobicContact CD1-CG2 3.95Å; L156-I177 HydrophobicContact CD1-CD1 3.58Å; L156-I177 HydrophobicContact CD2-CD1 4.23Å; I165-I177 HydrophobicContact CG2-CD1 4.36Å; M172-I177 HydrophobicContact CE-CG2 3.61Å; M172-I177 HydrophobicContact SD-CG2 4.17Å; I174-I177 WeakPolarHBondContact O-CG1 3.49Å; I174-I177 PolarHBondContact O-N 2.9Å; K175-I177 VanDerWaalsContact C-N 3.35Å; K175-I177 PolarHBondContact O-N 2.71Å; I177-L180 WeakPolarHBondContact O-CB 3.3Å
178	T	90.5	Very high	91	Very high	13 Å²	13	41.9 Å²	41.9	8%	0.08	22%	0.223	C	C	.	.	H	α-helix	trans	-72.9	-33	-180	61	0	0	0	0	111.8	I174 K175 L180 F181 F196 F239	I174-T178 HydrophobicContact CG2-CG2 3.78Å; I174-T178 WeakPolarHBondContact O-CG2 3.41Å; I174-T178 PolarHBondContact O-N 2.7Å; I174-T178 PolarHBondContact O-OG1 3.28Å; K175-T178 WeakPolarHBondContact CA-OG1 3.4Å; T178-L180 PolarHBondContact O-N 3.46Å; T178-L180 VanDerWaalsContact O-N 3.12Å; T178-F181 PolarHBondContact O-N 2.98Å; T178-F181 VanDerWaalsContact O-N 3.11Å; T178-F196 HydrophobicContact CG2-CD1 3.81Å; T178-F196 HydrophobicContact CG2-CD2 4.44Å; T178-F196 HydrophobicContact CG2-CE1 3.76Å; T178-F196 HydrophobicContact CG2-CE2 4.42Å; T178-F196 HydrophobicContact CG2-CG 4.16Å; T178-F196 HydrophobicContact CG2-CZ 4.09Å; T178-F239 HydrophobicContact CG2-CD1 4.49Å; T178-F239 HydrophobicContact CG2-CE1 3.64Å; T178-F239 HydrophobicContact CG2-CZ 4.45Å
179	S	91.3	Very high	90.8	Very high	22 Å²	22	41.3 Å²	41.3	15%	0.154	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-64	-18.1	-180	79.3	0	0	0	0	114	K175 T176 F181 R182 K185	K175-S179 WeakPolarHBondContact O-CB 3.42Å; K175-S179 PolarHBondContact O-N 2.82Å; K175-S179 PolarHBondContact O-OG 2.86Å; T176-S179 PolarHBondContact O-OG 3.29Å; T176-S179 VanDerWaalsContact O-OG 3.09Å; S179-F181 PolarHBondContact O-N 3.3Å; S179-R182 WeakPolarHBondContact O-CD 3.42Å; S179-R182 WeakPolarHBondContact O-CG 3.36Å; S179-R182 PolarHBondContact O-N 3.12Å; S179-K185 WeakPolarHBondContact O-CD 3.41Å; S179-K185 PolarHBondContact O-NZ 3.19Å; S179-K185 PolarHBondContact OG-NZ 3.42Å
180	L	94.6	Very high	90.6	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.099	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.9	-27.5	176	-62.2	169.3	0	0	0	111.6	L138 K139 I177 T178 K185	L138-L180 HydrophobicContact CB-CD1 4.11Å; K139-L180 HydrophobicContact CB-CD1 4.09Å; K139-L180 HydrophobicContact CB-CD2 4.45Å; I177-L180 WeakPolarHBondContact O-CB 3.3Å; T178-L180 PolarHBondContact O-N 3.46Å; T178-L180 VanDerWaalsContact O-N 3.12Å; L180-K185 VanDerWaalsContact O-CB 3.31Å; L180-K185 WeakPolarHBondContact O-CB 3.49Å
181	F	95.2	Very high	90.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-96.1	5.9	-176.8	-62.3	-89.1	0	0	0	114	L138 A141 F152 T178 S179 L189 K194 F196 F237	L138-F181 HydrophobicContact CB-CE2 4.16Å; L138-F181 HydrophobicContact CB-CZ 4.45Å; L138-F181 HydrophobicContact CD2-CE2 4.32Å; L138-F181 HydrophobicContact CD2-CZ 4.28Å; L138-F181 WeakPolarHBondContact O-CZ 3.43Å; A141-F181 HydrophobicContact CB-CE1 4.5Å; A141-F181 HydrophobicContact CB-CZ 4.17Å; F152-F181 AromaticContact CD1-CD1 3.97Å; F152-F181 HydrophobicContact CD1-CD1 3.97Å; F152-F181 AromaticContact CD1-CE1 3.88Å; F152-F181 HydrophobicContact CD1-CE1 3.88Å; F152-F181 HydrophobicContact CD1-CZ 4.36Å; F152-F181 HydrophobicContact CD2-CE1 4.22Å; F152-F181 AromaticContact CE1-CD1 3.96Å; F152-F181 HydrophobicContact CE1-CD1 3.96Å; F152-F181 HydrophobicContact CE1-CD2 4.39Å; F152-F181 AromaticContact CE1-CE1 3.53Å; F152-F181 HydrophobicContact CE1-CE1 3.53Å; F152-F181 AromaticContact CE1-CE2 4Å; F152-F181 HydrophobicContact CE1-CE2 4Å; F152-F181 HydrophobicContact CE1-CG 4.37Å; F152-F181 AromaticContact CE1-CZ 3.55Å; F152-F181 HydrophobicContact CE1-CZ 3.55Å; F152-F181 AromaticContact CE2-CE1 3.91Å; F152-F181 HydrophobicContact CE2-CE1 3.91Å; F152-F181 HydrophobicContact CE2-CZ 4.13Å; F152-F181 HydrophobicContact CG-CD1 4.43Å; F152-F181 HydrophobicContact CG-CE1 4.21Å; F152-F181 HydrophobicContact CZ-CD1 4.42Å; F152-F181 AromaticContact CZ-CE1 3.54Å; F152-F181 HydrophobicContact CZ-CE1 3.54Å; F152-F181 HydrophobicContact CZ-CE2 4.21Å; F152-F181 AromaticContact CZ-CZ 3.42Å; F152-F181 HydrophobicContact CZ-CZ 3.42Å; F152-F181 VanDerWaalsContact CZ-CZ 3.42Å; T178-F181 PolarHBondContact O-N 2.98Å; T178-F181 VanDerWaalsContact O-N 3.11Å; S179-F181 PolarHBondContact O-N 3.3Å; F181-L189 HydrophobicContact CD1-CD1 3.91Å; F181-K194 HydrophobicContact CB-CD 4.08Å; F181-K194 WeakPolarHBondContact O-CD 3.5Å; F181-F196 AromaticContact CD2-CZ 3.77Å; F181-F196 HydrophobicContact CD2-CZ 3.77Å; F181-F196 HydrophobicContact CE2-CZ 4.2Å; F181-F196 HydrophobicContact CG-CZ 4.33Å; F181-F237 HydrophobicContact CB-CE1 4.11Å; F181-F237 HydrophobicContact CB-CZ 3.85Å
182	R	89.1	Confident	90.7	Very high	59 Å²	59	40.2 Å²	40.2	22%	0.223	21%	0.211	C	C	.	.	S	Bend	trans	-59.6	154.4	176.4	-76.9	167.5	46.4	142	-11.6	111.5	S179 D184 K185 C186 V233 E234	S179-R182 WeakPolarHBondContact O-CD 3.42Å; S179-R182 WeakPolarHBondContact O-CG 3.36Å; S179-R182 PolarHBondContact O-N 3.12Å; R182-D184 WeakPolarHBondContact CB-OD1 3.36Å; R182-D184 IonicContact CZ-OD1 3.04Å; R182-D184 IonicContact CZ-OD2 3.29Å; R182-D184 IonicContact NE-OD1 3Å; R182-D184 PolarHBondContact NE-OD1 2.88Å; R182-D184 IonicContact NE-OD2 2.94Å; R182-D184 IonicContact NH2-OD1 3.11Å; R182-D184 PolarHBondContact NH2-OD1 3.29Å; R182-D184 IonicContact NH2-OD2 2.76Å; R182-D184 PolarHBondContact NH2-OD2 3.17Å; R182-D184 PolarHBondContact O-N 3.31Å; R182-K185 PolarHBondContact O-N 2.94Å; R182-C186 PolarHBondContact O-N 2.7Å; R182-V233 WeakPolarHBondContact CA-O 3.38Å; R182-E234 WeakPolarHBondContact CD-OE1 3.4Å; R182-E234 IonicContact CZ-OE1 3.43Å; R182-E234 IonicContact NE-OE1 3.38Å; R182-E234 PolarHBondContact NE-OE1 3.47Å; R182-E234 IonicContact NH1-OE1 2.85Å; R182-E234 PolarHBondContact NH1-OE1 3.45Å
183	G	77.3	Confident	90.9	Very high	12 Å²	12	39.7 Å²	39.7	12%	0.124	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	-177.5	0	0	0	0	0	115.1	K187 V190 V233	G183-K187 VanDerWaalsContact O-CD 3.32Å; G183-K187 WeakPolarHBondContact O-CD 3.43Å; G183-K187 WeakPolarHBondContact O-CE 3.42Å; G183-K187 PolarHBondContact O-NZ 3.09Å; G183-V190 WeakPolarHBondContact O-CG2 3.33Å; G183-V233 PolarHBondContact N-O 3.13Å
184	D	82	Confident	91.3	Very high	68 Å²	68	37.2 Å²	37.2	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.3	171.1	57.6	-28.1	0	0	0	114	R182 K187 V233	R182-D184 WeakPolarHBondContact CB-OD1 3.36Å; R182-D184 IonicContact CZ-OD1 3.04Å; R182-D184 IonicContact CZ-OD2 3.29Å; R182-D184 IonicContact NE-OD1 3Å; R182-D184 PolarHBondContact NE-OD1 2.88Å; R182-D184 IonicContact NE-OD2 2.94Å; R182-D184 IonicContact NH2-OD1 3.11Å; R182-D184 PolarHBondContact NH2-OD1 3.29Å; R182-D184 IonicContact NH2-OD2 2.76Å; R182-D184 PolarHBondContact NH2-OD2 3.17Å; R182-D184 PolarHBondContact O-N 3.31Å; D184-K187 VanDerWaalsContact O-CE 3.31Å; D184-K187 WeakPolarHBondContact O-CE 3.44Å; D184-V233 HydrophobicContact CB-CG1 4.14Å
185	K	87.2	Confident	91.8	Very high	108 Å²	108	36.7 Å²	36.7	47%	0.47	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-40.2	-176.8	-58.8	-167.2	-165.3	169.2	0	113.7	S179 L180 R182	S179-K185 WeakPolarHBondContact O-CD 3.41Å; S179-K185 PolarHBondContact O-NZ 3.19Å; S179-K185 PolarHBondContact OG-NZ 3.42Å; L180-K185 VanDerWaalsContact O-CB 3.31Å; L180-K185 WeakPolarHBondContact O-CB 3.49Å; R182-K185 PolarHBondContact O-N 2.94Å
186	C	92.9	Very high	92.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.158	C	C	.	.			trans	-115.1	81	-179.1	-175.2	0	0	0	0	111.2	S142 R182 S188 L189	S142-C186 PolarHBondContact O-SG 3.24Å; R182-C186 PolarHBondContact O-N 2.7Å; C186-S188 VanDerWaalsContact C-N 3.35Å; C186-S188 PolarHBondContact O-N 2.82Å; C186-L189 PolarHBondContact O-N 2.81Å; C186-L189 VanDerWaalsContact SG-CD1 3.59Å
187	K	91.7	Very high	92.9	Very high	139 Å²	139	27.4 Å²	27.4	60%	0.604	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-63.2	-35.7	-171.1	-64.1	-68.2	172.1	-170.1	0	114.2	G183 D184 L189 V190	G183-K187 VanDerWaalsContact O-CD 3.32Å; G183-K187 WeakPolarHBondContact O-CD 3.43Å; G183-K187 WeakPolarHBondContact O-CE 3.42Å; G183-K187 PolarHBondContact O-NZ 3.09Å; D184-K187 VanDerWaalsContact O-CE 3.31Å; D184-K187 WeakPolarHBondContact O-CE 3.44Å; K187-L189 PolarHBondContact O-N 2.92Å; K187-V190 WeakPolarHBondContact O-CG2 3.48Å; K187-V190 PolarHBondContact O-N 3.36Å
188	S	96.3	Very high	92.9	Very high	24 Å²	24	27.5 Å²	27.5	17%	0.168	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-68.1	-12.5	-179	54.1	0	0	0	0	113.9	E144 H146 C186 K192	E144-S188 PolarHBondContact O-OG 3.37Å; H146-S188 PolarHBondContact CD2-OG 2.92Å; H146-S188 PolarHBondContact N-OG 2.96Å; C186-S188 VanDerWaalsContact C-N 3.35Å; C186-S188 PolarHBondContact O-N 2.82Å; S188-K192 PolarHBondContact O-NZ 3.48Å
189	L	95.7	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-107.1	7	175.1	-71.6	177.7	0	0	0	114.3	H146 F152 F181 C186 K187 G191 K192 K194	H146-L189 HydrophobicContact CB-CD1 4.48Å; H146-L189 HydrophobicContact CB-CD2 3.48Å; H146-L189 VanDerWaalsContact CB-CD2 3.48Å; H146-L189 HydrophobicContact CB-CG 3.64Å; F152-L189 HydrophobicContact CB-CD1 3.65Å; F152-L189 HydrophobicContact CB-CD2 4.11Å; F152-L189 HydrophobicContact CG-CD1 4.18Å; F181-L189 HydrophobicContact CD1-CD1 3.91Å; C186-L189 PolarHBondContact O-N 2.81Å; C186-L189 VanDerWaalsContact SG-CD1 3.59Å; K187-L189 PolarHBondContact O-N 2.92Å; L189-G191 PolarHBondContact O-N 3.04Å; L189-K192 HydrophobicContact CD2-CB 4.26Å; L189-K192 HydrophobicContact CD2-CD 4.21Å; L189-K192 PolarHBondContact O-N 3.46Å; L189-K194 HydrophobicContact CB-CD 4.35Å; L189-K194 HydrophobicContact CB-CG 4.46Å; L189-K194 HydrophobicContact CD1-CG 4.29Å; L189-K194 PolarHBondContact O-NZ 2.93Å
190	V	93	Very high	92.6	Very high	61 Å²	61	26 Å²	26	37%	0.37	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	131.2	174.5	172.7	0	0	0	0	109.9	G183 K187 K192 I231	G183-V190 WeakPolarHBondContact O-CG2 3.33Å; K187-V190 WeakPolarHBondContact O-CG2 3.48Å; K187-V190 PolarHBondContact O-N 3.36Å; V190-K192 PolarHBondContact O-N 2.64Å; V190-I231 HydrophobicContact CG1-CD1 4.09Å
191	G	91.6	Very high	91.7	Very high	30 Å²	30	25.1 Å²	25.1	31%	0.309	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	6	-177.3	0	0	0	0	0	114.6	Y75 L189 D236	Y75-G191 WeakPolarHBondContact CE1-O 3.38Å; L189-G191 PolarHBondContact O-N 3.04Å; G191-D236 WeakPolarHBondContact CA-OD2 3.36Å; G191-D236 PolarHBondContact N-OD2 3.13Å
192	K	97.5	Very high	90.4	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.065	14%	0.137	C	C	.	.	S	Bend	trans	-114.6	144.4	178.8	-62.9	-178.3	-177.9	178.4	0	110.7	H146 S147 S149 S150 S188 L189 V190 K194 D236	H146-K192 PolarHBondContact O-NZ 3.46Å; S147-K192 VanDerWaalsContact C-NZ 3.34Å; S147-K192 PolarHBondContact O-NZ 3.14Å; S149-K192 VanDerWaalsContact O-CD 3.26Å; S149-K192 WeakPolarHBondContact O-CD 3.46Å; S149-K192 VanDerWaalsContact O-CE 3.22Å; S149-K192 WeakPolarHBondContact O-CE 3.45Å; S149-K192 PolarHBondContact O-NZ 2.87Å; S150-K192 WeakPolarHBondContact O-CB 3.43Å; S188-K192 PolarHBondContact O-NZ 3.48Å; L189-K192 HydrophobicContact CD2-CB 4.26Å; L189-K192 HydrophobicContact CD2-CD 4.21Å; L189-K192 PolarHBondContact O-N 3.46Å; V190-K192 PolarHBondContact O-N 2.64Å; K192-K194 PolarHBondContact O-NZ 3.44Å; K192-D236 WeakPolarHBondContact O-CB 3.46Å
193	P	98.3	Very high	89.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.135	C	C	.	.			trans	-62.6	138.3	179.9	-17.8	28.4	0	0	0	112.8	Y75 C151 F152 L195 D236 L313 L317	Y75-P193 HydrophobicContact CD1-CG 3.82Å; Y75-P193 HydrophobicContact CD2-CG 3.61Å; Y75-P193 HydrophobicContact CE1-CG 4.06Å; Y75-P193 HydrophobicContact CE2-CG 3.83Å; Y75-P193 HydrophobicContact CG-CG 3.59Å; C151-P193 WeakPolarHBondContact CA-O 3.45Å; C151-P193 HydrophobicContact CB-CB 3.9Å; C151-P193 HydrophobicContact CB-CG 4.04Å; C151-P193 VanDerWaalsContact CB-O 3.26Å; C151-P193 WeakPolarHBondContact CB-O 3.25Å; F152-P193 PolarHBondContact N-O 2.89Å; P193-L195 HydrophobicContact CB-CD2 3.97Å; P193-L195 HydrophobicContact CB-CG 4.42Å; P193-D236 CarbonylContact C-O 3.51Å; P193-D236 WeakPolarHBondContact CA-O 3.49Å; P193-L313 HydrophobicContact CB-CD2 4.16Å; P193-L317 HydrophobicContact CB-CD2 3.95Å; P193-L317 HydrophobicContact CG-CD1 3.91Å; P193-L317 HydrophobicContact CG-CD2 4.1Å
194	K	98.4	Very high	88.5	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	100.3	176	-68.3	160.1	-75.9	-78.8	0	108.1	F181 L189 K192 F196 A235 D236 F237 L238	F181-K194 HydrophobicContact CB-CD 4.08Å; F181-K194 WeakPolarHBondContact O-CD 3.5Å; L189-K194 HydrophobicContact CB-CD 4.35Å; L189-K194 HydrophobicContact CB-CG 4.46Å; L189-K194 HydrophobicContact CD1-CG 4.29Å; L189-K194 PolarHBondContact O-NZ 2.93Å; K192-K194 PolarHBondContact O-NZ 3.44Å; K194-F196 HydrophobicContact CB-CE2 4.33Å; K194-A235 WeakPolarHBondContact CE-O 3.14Å; K194-D236 PolarHBondContact N-O 3.3Å; K194-F237 HydrophobicContact CB-CD1 3.88Å; K194-F237 HydrophobicContact CB-CE1 4.01Å; K194-F237 HydrophobicContact CB-CG 4.16Å; K194-F237 HydrophobicContact CB-CZ 4.39Å; K194-F237 HydrophobicContact CD-CD2 4.15Å; K194-F237 HydrophobicContact CD-CE1 4.17Å; K194-F237 HydrophobicContact CD-CE2 3.66Å; K194-F237 HydrophobicContact CD-CZ 3.69Å; K194-F237 WeakPolarHBondContact O-CA 3.35Å; K194-L238 PolarHBondContact O-N 3.19Å
195	L	98.6	Very high	86.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.3	-168.3	-47.4	176.8	0	0	0	110.3	F152 A153 C154 P193 F197 L238 L317 F319	F152-L195 PolarHBondContact O-N 2.94Å; A153-L195 CarbonylContact C-O 3.56Å; A153-L195 VanDerWaalsContact CA-O 3.29Å; A153-L195 WeakPolarHBondContact CA-O 3.32Å; A153-L195 HydrophobicContact CB-CB 4.37Å; C154-L195 PolarHBondContact N-O 2.97Å; P193-L195 HydrophobicContact CB-CD2 3.97Å; P193-L195 HydrophobicContact CB-CG 4.42Å; L195-F197 HydrophobicContact CB-CD2 4.49Å; L195-F197 HydrophobicContact CB-CE2 3.67Å; L195-F197 HydrophobicContact CB-CZ 4.24Å; L195-F197 HydrophobicContact CD1-CE2 4.38Å; L195-F197 HydrophobicContact CD1-CZ 4.46Å; L195-L238 HydrophobicContact CD2-CB 3.84Å; L195-L317 HydrophobicContact CD1-CD2 3.89Å; L195-L317 HydrophobicContact CD2-CD2 3.78Å; L195-L317 HydrophobicContact CG-CD2 4.38Å; L195-F319 HydrophobicContact CD1-CE1 4.01Å; L195-F319 HydrophobicContact CD1-CZ 3.66Å
196	F	98.1	Very high	84.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.1	176.1	-71.5	-95.1	0	0	0	109.5	F152 C154 T178 F181 K194 I198 F237 L238 F239 A240	F152-F196 HydrophobicContact CE1-CE1 4.48Å; F152-F196 HydrophobicContact CE1-CZ 4.08Å; C154-F196 HydrophobicContact CB-CD1 3.65Å; C154-F196 HydrophobicContact CB-CE1 3.59Å; C154-F196 HydrophobicContact CB-CG 4.48Å; C154-F196 HydrophobicContact CB-CZ 4.37Å; C154-F196 CarbonylContact O-C 3.57Å; C154-F196 VanDerWaalsContact O-CA 3.28Å; C154-F196 WeakPolarHBondContact O-CA 3.46Å; T178-F196 HydrophobicContact CG2-CD1 3.81Å; T178-F196 HydrophobicContact CG2-CD2 4.44Å; T178-F196 HydrophobicContact CG2-CE1 3.76Å; T178-F196 HydrophobicContact CG2-CE2 4.42Å; T178-F196 HydrophobicContact CG2-CG 4.16Å; T178-F196 HydrophobicContact CG2-CZ 4.09Å; F181-F196 AromaticContact CD2-CZ 3.77Å; F181-F196 HydrophobicContact CD2-CZ 3.77Å; F181-F196 HydrophobicContact CE2-CZ 4.2Å; F181-F196 HydrophobicContact CG-CZ 4.33Å; K194-F196 HydrophobicContact CB-CE2 4.33Å; F196-I198 HydrophobicContact CB-CD1 4.32Å; F196-I198 HydrophobicContact CB-CG1 4.46Å; F196-F237 HydrophobicContact CD2-CD1 4.01Å; F196-F237 HydrophobicContact CD2-CE1 4.3Å; F196-F237 AromaticContact CE2-CD1 3.72Å; F196-F237 HydrophobicContact CE2-CD1 3.72Å; F196-F237 AromaticContact CE2-CE1 3.57Å; F196-F237 HydrophobicContact CE2-CE1 3.57Å; F196-F237 HydrophobicContact CZ-CE1 4.34Å; F196-L238 PolarHBondContact N-O 2.88Å; F196-F239 HydrophobicContact CB-CD1 3.64Å; F196-F239 HydrophobicContact CB-CE1 4.06Å; F196-F239 HydrophobicContact CD2-CD1 4.24Å; F196-F239 AromaticContact CD2-CE1 3.82Å; F196-F239 HydrophobicContact CD2-CE1 3.82Å; F196-F239 HydrophobicContact CG-CD1 4.11Å; F196-F239 HydrophobicContact CG-CE1 4Å; F196-F239 CarbonylContact O-C 3.56Å; F196-F239 WeakPolarHBondContact O-CA 3.19Å; F196-A240 PolarHBondContact O-N 3.31Å
197	F	98.1	Very high	82.8	Confident	2 Å²	2	29 Å²	29	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.3	175.2	-56.1	-97.6	0	0	0	108.2	F116 C154 I155 L156 L195 A240 L263 I276 L280	F116-F197 HydrophobicContact CE1-CD2 4.2Å; F116-F197 AromaticContact CE1-CE2 3.63Å; F116-F197 HydrophobicContact CE1-CE2 3.63Å; F116-F197 HydrophobicContact CE1-CZ 4.08Å; F116-F197 AromaticContact CZ-CD2 3.83Å; F116-F197 HydrophobicContact CZ-CD2 3.83Å; F116-F197 HydrophobicContact CZ-CE1 4.22Å; F116-F197 AromaticContact CZ-CE2 3.5Å; F116-F197 HydrophobicContact CZ-CE2 3.5Å; F116-F197 HydrophobicContact CZ-CG 4.34Å; F116-F197 AromaticContact CZ-CZ 3.72Å; F116-F197 HydrophobicContact CZ-CZ 3.72Å; C154-F197 PolarHBondContact O-N 2.9Å; I155-F197 CarbonylContact C-O 3.57Å; I155-F197 VanDerWaalsContact CA-O 3.3Å; I155-F197 WeakPolarHBondContact CA-O 3.27Å; I155-F197 HydrophobicContact CB-CB 4.47Å; I155-F197 HydrophobicContact CG1-CB 4.14Å; I155-F197 HydrophobicContact CG1-CD2 4Å; I155-F197 HydrophobicContact CG1-CG 4.42Å; I155-F197 HydrophobicContact CG2-CB 4.12Å; L156-F197 PolarHBondContact N-O 3.24Å; L195-F197 HydrophobicContact CB-CD2 4.49Å; L195-F197 HydrophobicContact CB-CE2 3.67Å; L195-F197 HydrophobicContact CB-CZ 4.24Å; L195-F197 HydrophobicContact CD1-CE2 4.38Å; L195-F197 HydrophobicContact CD1-CZ 4.46Å; F197-A240 WeakPolarHBondContact CA-O 3.4Å; F197-A240 HydrophobicContact CD1-CB 3.72Å; F197-A240 HydrophobicContact CE1-CB 4.15Å; F197-A240 HydrophobicContact CG-CB 4.47Å; F197-L263 HydrophobicContact CD1-CD2 3.73Å; F197-L263 HydrophobicContact CE1-CD1 4.32Å; F197-L263 HydrophobicContact CE1-CD2 4.23Å; F197-L263 HydrophobicContact CG-CD2 4.42Å; F197-I276 HydrophobicContact CZ-CD1 4.47Å; F197-L280 HydrophobicContact CE1-CD2 4.23Å
198	I	94.6	Very high	80.7	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	101.8	-165.6	-56.4	165.1	0	0	0	108.2	L156 I174 F196 A200 F239 A240 Y241 S242	L156-I198 HydrophobicContact CD1-CG1 4.29Å; I174-I198 HydrophobicContact CD1-CG2 4.31Å; I174-I198 HydrophobicContact CG2-CD1 4.1Å; F196-I198 HydrophobicContact CB-CD1 4.32Å; F196-I198 HydrophobicContact CB-CG1 4.46Å; I198-A200 HydrophobicContact CG2-CB 4.23Å; I198-F239 HydrophobicContact CD1-CD1 4.33Å; I198-A240 PolarHBondContact N-O 3.48Å; I198-Y241 HydrophobicContact CB-CD1 3.86Å; I198-Y241 HydrophobicContact CB-CE1 4.19Å; I198-Y241 HydrophobicContact CD1-CD1 3.87Å; I198-Y241 HydrophobicContact CD1-CE1 3.34Å; I198-Y241 HydrophobicContact CG1-CD1 4.45Å; I198-Y241 HydrophobicContact CG1-CE1 4.35Å; I198-Y241 HydrophobicContact CG2-CD1 4Å; I198-Y241 HydrophobicContact CG2-CE1 4.22Å; I198-S242 PolarHBondContact O-N 2.69Å; I198-S242 PolarHBondContact O-OG 3.48Å
199	Q	92.6	Very high	77.7	Confident	1 Å²	1	29 Å²	29	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	94.7	168.4	172.6	54.7	47.1	0	0	107.9	D34 L156 L157 S158 S242 S249 V260	D34-Q199 PolarHBondContact OD2-NE2 2.93Å; L156-Q199 PolarHBondContact O-N 2.88Å; L157-Q199 HydrophobicContact CD2-CB 3.67Å; L157-Q199 HydrophobicContact CD2-CG 4.31Å; S158-Q199 PolarHBondContact N-O 2.92Å; S158-Q199 VanDerWaalsContact N-O 3.13Å; Q199-S242 PolarHBondContact OE1-OG 2.67Å; Q199-S249 PolarHBondContact NE2-OG 3.17Å; Q199-S249 PolarHBondContact OE1-OG 3.39Å; Q199-V260 HydrophobicContact CB-CG2 4.4Å
200	A	80.9	Confident	74.7	Confident	2 Å²	2	36.3 Å²	36.3	2%	0.017	21%	0.207	C	C	.	.	S	Bend	trans	-159.8	154.9	174.1	0	0	0	0	0	109.4	S158 I165 I198 S242	S158-A200 WeakPolarHBondContact O-CA 3.48Å; S158-A200 WeakPolarHBondContact O-CB 3.36Å; I165-A200 HydrophobicContact CD1-CB 3.5Å; I198-A200 HydrophobicContact CG2-CB 4.23Å; A200-S242 PolarHBondContact O-OG 3.14Å
201	C	76.9	Confident	71.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	23%	0.232	C	C	.	.			trans	-62.8	155.4	168	-75.1	0	0	0	0	111.1	D34 A35 G160 E161 S249	D34-C201 VanDerWaalsContact CA-SG 3.52Å; D34-C201 HydrophobicContact CB-CB 4.49Å; D34-C201 VanDerWaalsContact CB-SG 3.55Å; A35-C201 HydrophobicContact CB-CB 3.58Å; A35-C201 VanDerWaalsContact CB-SG 3.56Å; A35-C201 PolarHBondContact N-SG 2.71Å; G160-C201 CarbonylContact C-O 3.1Å; G160-C201 WeakPolarHBondContact CA-O 3.44Å; G160-C201 WeakPolarHBondContact O-CB 3.48Å; E161-C201 PolarHBondContact N-O 2.86Å; C201-S249 PolarHBondContact SG-N 3.49Å
202	R	68.4	Low	68.8	Low	31 Å²	31	46.7 Å²	46.7	12%	0.117	25%	0.252	C	S	.	.			trans	-125.3	18	176	-60	-173.7	69.9	-178.5	0.5	112.6	E162 T243 G246 Y247	E162-R202 WeakPolarHBondContact CA-O 3.38Å; E162-R202 WeakPolarHBondContact CB-O 3.36Å; E162-R202 PolarHBondContact N-O 3.08Å; R202-T243 HydrophobicContact CB-CG2 4.26Å; R202-T243 VanDerWaalsContact CD-O 3.31Å; R202-T243 WeakPolarHBondContact CD-O 3.2Å; R202-T243 HydrophobicContact CG-CG2 4.06Å; R202-G246 WeakPolarHBondContact O-CA 3.28Å; R202-G246 PolarHBondContact O-N 2.91Å; R202-Y247 PolarHBondContact N-O 3.3Å; R202-Y247 VanDerWaalsContact N-O 3.15Å
203	G	63.6	Low	65.9	Low	17 Å²	17	53 Å²	53	18%	0.175	29%	0.287	C	S	.	.	S	Bend	trans	157.8	-162.1	-177.9	0	0	0	0	0	110.9	G246	G203-G246 CarbonylContact C-O 3.29Å; G203-G246 VanDerWaalsContact C-O 3.29Å; G203-G246 VanDerWaalsContact CA-O 3.31Å; G203-G246 WeakPolarHBondContact CA-O 3.29Å
204	S	61.3	Low	62.8	Low	69 Å²	69	59.1 Å²	59.1	48%	0.483	33%	0.329	S	S	.	.	S	Bend	trans	-128.8	18.9	-172.2	61.1	0	0	0	0	114	G246 Y248	S204-G246 PolarHBondContact N-O 2.89Å; S204-Y248 WeakPolarHBondContact CB-OH 3.44Å; S204-Y248 WeakPolarHBondContact O-CE2 3.5Å; S204-Y248 PolarHBondContact O-OH 3.49Å
205	E	41.2	Very low	59.7	Low	110 Å²	110	62.3 Å²	62.3	51%	0.514	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-91.5	147.3	176.2	-58.4	-171.9	150.1	0	0	111.8	G246 Y247 Y248	E205-G246 VanDerWaalsContact CB-O 3.28Å; E205-G246 WeakPolarHBondContact CB-O 3.5Å; E205-G246 WeakPolarHBondContact CG-O 3.48Å; E205-G246 PolarHBondContact N-O 3.43Å; E205-Y247 HydrophobicContact CB-CD1 4.25Å; E205-Y247 HydrophobicContact CB-CE1 4.31Å; E205-Y247 HydrophobicContact CB-CG 4.41Å; E205-Y247 VanDerWaalsContact O-CA 3.3Å; E205-Y247 WeakPolarHBondContact O-CA 3.47Å; E205-Y248 WeakPolarHBondContact O-CD2 3.3Å; E205-Y248 PolarHBondContact O-N 3.04Å
206	F	52.9	Low	56.5	Low	54 Å²	54	68.2 Å²	68.2	24%	0.237	40%	0.401	C	S	.	.			trans	-99.6	143	174.8	-62.2	-76.8	0	0	0	110.9	Y248 W250 F300 K303	F206-Y248 AromaticContact CD1-CD2 3.4Å; F206-Y248 HydrophobicContact CD1-CD2 3.4Å; F206-Y248 AromaticContact CD1-CE2 3.76Å; F206-Y248 HydrophobicContact CD1-CE2 3.76Å; F206-Y248 HydrophobicContact CD1-CG 4.42Å; F206-Y248 HydrophobicContact CD2-CD2 4.36Å; F206-Y248 HydrophobicContact CD2-CE2 4.02Å; F206-Y248 AromaticContact CE1-CD2 3.29Å; F206-Y248 HydrophobicContact CE1-CD2 3.29Å; F206-Y248 AromaticContact CE1-CE2 3.33Å; F206-Y248 HydrophobicContact CE1-CE2 3.33Å; F206-Y248 HydrophobicContact CE1-CG 4.21Å; F206-Y248 HydrophobicContact CE2-CD2 4.28Å; F206-Y248 AromaticContact CE2-CE2 3.62Å; F206-Y248 HydrophobicContact CE2-CE2 3.62Å; F206-Y248 AromaticContact CG-CD2 3.95Å; F206-Y248 HydrophobicContact CG-CD2 3.95Å; F206-Y248 HydrophobicContact CG-CE2 4.08Å; F206-Y248 AromaticContact CZ-CD2 3.76Å; F206-Y248 HydrophobicContact CZ-CD2 3.76Å; F206-Y248 AromaticContact CZ-CE2 3.24Å; F206-Y248 HydrophobicContact CZ-CE2 3.24Å; F206-Y248 AromaticContact CZ-CZ 3.98Å; F206-W250 HydrophobicContact CD1-CZ2 4.06Å; F206-W250 HydrophobicContact CE1-CH2 4.41Å; F206-W250 HydrophobicContact CE1-CZ2 4.19Å; F206-F300 AromaticContact CE1-CD1 3.6Å; F206-F300 HydrophobicContact CE1-CD1 3.6Å; F206-F300 AromaticContact CE1-CE1 3.68Å; F206-F300 HydrophobicContact CE1-CE1 3.68Å; F206-F300 HydrophobicContact CE1-CG 4.48Å; F206-F300 AromaticContact CZ-CD1 3.68Å; F206-F300 HydrophobicContact CZ-CD1 3.68Å; F206-F300 AromaticContact CZ-CE1 3.31Å; F206-F300 HydrophobicContact CZ-CE1 3.31Å; F206-F300 HydrophobicContact CZ-CG 4.49Å; F206-F300 AromaticContact CZ-CZ 3.83Å; F206-F300 HydrophobicContact CZ-CZ 3.83Å; F206-K303 HydrophobicContact CB-CD 4.26Å; F206-K303 HydrophobicContact CD1-CG 4.18Å
207	D	49.1	Very low	53.5	Low	48 Å²	48	74.3 Å²	74.3	26%	0.257	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-90.7	107	167.2	-170.6	-16.8	0	0	0	108.9	G209 Y247 K304	D207-G209 PolarHBondContact O-N 3.32Å; D207-G209 PolarHBondContact OD1-N 2.94Å; D207-Y247 HydrophobicContact CB-CD1 3.95Å; D207-Y247 HydrophobicContact CB-CE1 4.02Å; D207-K304 PolarHBondContact O-N 3.4Å
208	E	47.8	Very low	50.5	Low	125 Å²	125	82.3 Å²	82.3	58%	0.584	48%	0.484	S	S	*	.			trans	-72.8	-11.4	179	-63.4	-65.6	149	0	0	112.9	K303	E208-K303 IonicContact OE1-NZ 2.7Å; E208-K303 PolarHBondContact OE1-NZ 2.67Å; E208-K303 IonicContact OE2-NZ 3.78Å; E208-K303 PolarHBondContact OE2-NZ 3.01Å
209	G	32.3	Very low	47.7	Very low	39 Å²	39	89.2 Å²	89.2	40%	0.402	52%	0.521	S	S	.	.			trans	68.6	155.6	-171.7	0	0	0	0	0	113.4	D207	D207-G209 PolarHBondContact O-N 3.32Å; D207-G209 PolarHBondContact OD1-N 2.94Å
210	I	33.3	Very low	44.7	Very low	152 Å²	152	96.4 Å²	96.4	78%	0.779	57%	0.565	S	S	*	*			trans	-139.9	140.7	171.7	-169.6	163.8	0	0	0	109.4	T212	I210-T212 HydrophobicContact CG2-CG2 3.79Å
211	Q	30.1	Very low	42.4	Very low	192 Å²	192	103.3 Å²	103.3	90%	0.897	60%	0.601	S	S	*	*			trans	-74.8	125.9	171.8	-69.2	-178.6	0.4	0	0	108.6
212	T	31.3	Very low	40.3	Very low	118 Å²	118	111.2 Å²	111.2	72%	0.724	64%	0.638	S	S	*	*			trans	-126.9	135.8	-179.2	68.7	0	0	0	0	112.5	I210	I210-T212 HydrophobicContact CG2-CG2 3.79Å
213	D	36.1	Very low	38.4	Very low	147 Å²	147	115 Å²	115	79%	0.786	67%	0.665	S	S	*	*			trans	-122	96.9	172.2	49.3	-27.6	0	0	0	109.2
214	S	33.3	Very low	36.6	Very low	129 Å²	129	121.4 Å²	121.4	90%	0.902	70%	0.695	S	S	*	*			trans	167.5	149.1	145.8	-78.6	0	0	0	0	114.6
215	G	32.6	Very low	35	Very low	70 Å²	70	122.4 Å²	122.4	72%	0.722	71%	0.707	S	S	*	*			trans	-91.1	-171.7	-172.3	0	0	0	0	0	116.9
216	P	32.5	Very low	34.7	Very low	124 Å²	124	123.1 Å²	123.1	81%	0.805	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-91	154.9	-159	35	-34	0	0	0	114.1
217	P	34.6	Very low	33.7	Very low	128 Å²	128	125 Å²	125	83%	0.831	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-100.5	152.1	163.9	27.3	-12.9	0	0	0	113.3
218	N	34.7	Very low	32.9	Very low	170 Å²	170	134.7 Å²	134.7	91%	0.909	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-73.2	155.7	-169.9	-72.9	-29.1	0	0	0	116.3
219	D	36.9	Very low	32.2	Very low	147 Å²	147	135 Å²	135	79%	0.786	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57.1	153	173.3	-78.4	-36.4	0	0	0	116.1
220	T	29.8	Very low	32.3	Very low	151 Å²	151	142.7 Å²	142.7	93%	0.926	79%	0.789	S	S	*	*			trans	-149.1	147.6	136.1	32.9	0	0	0	0	111.8
221	L	32.3	Very low	32.4	Very low	147 Å²	147	139.2 Å²	139.2	77%	0.77	77%	0.771	S	S	*	*			trans	-101.2	162.3	-162.9	-132.1	99.7	0	0	0	113.1
222	E	32.2	Very low	33.2	Very low	168 Å²	168	134.4 Å²	134.4	79%	0.785	76%	0.756	S	S	*	*				153.2	130.5	121.9	-72.9	-143.6	164.2	0	0	118.2
223	T	27.8	Very low	34.8	Very low	111 Å²	111	131.6 Å²	131.6	68%	0.681	74%	0.739	S	S	*	*			trans	1.4	167.1	147.6	60.9	0	0	0	0	123.4
224	D	27.1	Very low	36.6	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	72%	0.72	S	S	*	*			cis	-166	155.1	-9.4	-127.2	-16.5	0	0	0	107
225	A	27.2	Very low	38.8	Very low	89 Å²	89	122.9 Å²	122.9	74%	0.736	68%	0.681	S	S	*	*			trans	173.7	128.6	143.1	0	0	0	0	0	112.9
226	N	34.1	Very low	41.6	Very low	125 Å²	125	119.6 Å²	119.6	67%	0.668	65%	0.646	S	S	*	*			trans	-97.6	124.2	177.2	177.5	13.8	0	0	0	111.7	H229	N226-H229 VanDerWaalsContact CG-CE1 3.48Å; N226-H229 PolarHBondContact OD1-CE1 3.25Å; N226-H229 PolarHBondContact OD1-ND1 2.98Å
227	P	32.2	Very low	44.6	Very low	95 Å²	95	113.8 Å²	113.8	62%	0.617	61%	0.608	S	S	*	*			trans	-126.4	121.4	154.1	32.1	-17.2	0	0	0	110.7	H229	P227-H229 WeakPolarHBondContact O-CA 3.46Å; P227-H229 PolarHBondContact O-N 3.49Å
228	R	33.3	Very low	47.6	Very low	250 Å²	250	107.7 Å²	107.7	94%	0.943	57%	0.569	S	S	*	*	S	Bend	trans	13.3	78.6	167.5	-81.1	-177.7	166.7	145.7	-2.9	113.7	K230	R228-K230 PolarHBondContact O-N 3.32Å; R228-K230 VanDerWaalsContact O-N 3.08Å
229	H	33.3	Very low	50.4	Low	131 Å²	131	100.7 Å²	100.7	61%	0.606	53%	0.531	S	S	*	.			trans	-64.2	109	-165.6	-68.3	115.4	0	0	0	112.7	N226 P227 I231	N226-H229 VanDerWaalsContact CG-CE1 3.48Å; N226-H229 PolarHBondContact OD1-CE1 3.25Å; N226-H229 PolarHBondContact OD1-ND1 2.98Å; P227-H229 WeakPolarHBondContact O-CA 3.46Å; P227-H229 PolarHBondContact O-N 3.49Å; H229-I231 PolarHBondContact O-N 2.71Å
230	K	33.3	Very low	53.2	Low	202 Å²	202	93.8 Å²	93.8	88%	0.878	49%	0.494	S	S	*	.			trans	-75.3	112.6	150.3	-72.2	-177.6	179.7	178.4	0	106.5	R228	R228-K230 PolarHBondContact O-N 3.32Å; R228-K230 VanDerWaalsContact O-N 3.08Å
231	I	36.5	Very low	56	Low	79 Å²	79	87.8 Å²	87.8	41%	0.405	45%	0.454	S	S	.	.			trans	-67.6	127.6	173.8	-62	176.2	0	0	0	107.5	V190 H229 A235	V190-I231 HydrophobicContact CG1-CD1 4.09Å; H229-I231 PolarHBondContact O-N 2.71Å; I231-A235 HydrophobicContact CG2-CB 3.58Å
232	P	45.4	Very low	58.1	Low	90 Å²	90	80.8 Å²	80.8	58%	0.584	42%	0.418	S	S	*	.			trans	-55.2	142.9	172.8	-24.4	33.2	0	0	0	111.2	E234 A235	P232-E234 PolarHBondContact O-N 3.34Å; P232-E234 VanDerWaalsContact O-N 3.1Å; P232-A235 HydrophobicContact CB-CB 4.18Å; P232-A235 HydrophobicContact CG-CB 4.41Å; P232-A235 VanDerWaalsContact O-CB 3.27Å; P232-A235 WeakPolarHBondContact O-CB 3.32Å; P232-A235 PolarHBondContact O-N 2.84Å
233	V	65.9	Low	59.7	Low	60 Å²	60	73 Å²	73	36%	0.364	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22	-177.4	-64.6	0	0	0	0	113.9	R182 G183 D184	R182-V233 WeakPolarHBondContact CA-O 3.38Å; G183-V233 PolarHBondContact N-O 3.13Å; D184-V233 HydrophobicContact CB-CG1 4.14Å
234	E	74.6	Confident	61	Low	82 Å²	82	69.5 Å²	69.5	38%	0.383	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5.4	177.4	-56.3	-64	166.3	0	0	113.2	R182 P232	R182-E234 WeakPolarHBondContact CD-OE1 3.4Å; R182-E234 IonicContact CZ-OE1 3.43Å; R182-E234 IonicContact NE-OE1 3.38Å; R182-E234 PolarHBondContact NE-OE1 3.47Å; R182-E234 IonicContact NH1-OE1 2.85Å; R182-E234 PolarHBondContact NH1-OE1 3.45Å; P232-E234 PolarHBondContact O-N 3.34Å; P232-E234 VanDerWaalsContact O-N 3.1Å
235	A	77.7	Confident	62.2	Low	10 Å²	10	65 Å²	65	8%	0.083	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	160.7	179.8	0	0	0	0	0	112.5	K194 I231 P232 F237 T314	K194-A235 WeakPolarHBondContact CE-O 3.14Å; I231-A235 HydrophobicContact CG2-CB 3.58Å; P232-A235 HydrophobicContact CB-CB 4.18Å; P232-A235 HydrophobicContact CG-CB 4.41Å; P232-A235 VanDerWaalsContact O-CB 3.27Å; P232-A235 WeakPolarHBondContact O-CB 3.32Å; P232-A235 PolarHBondContact O-N 2.84Å; A235-F237 PolarHBondContact O-N 2.92Å; A235-T314 HydrophobicContact CB-CG2 4.37Å
236	D	92.7	Very high	63.3	Low	1 Å²	1	61.3 Å²	61.3	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	24	178.3	-42.4	-59.3	0	0	0	114	Y75 G191 K192 P193 K194 M312 T314	Y75-D236 HydrophobicContact CE1-CB 4.47Å; Y75-D236 WeakPolarHBondContact OH-CB 3.48Å; Y75-D236 PolarHBondContact OH-OD1 2.91Å; G191-D236 WeakPolarHBondContact CA-OD2 3.36Å; G191-D236 PolarHBondContact N-OD2 3.13Å; K192-D236 WeakPolarHBondContact O-CB 3.46Å; P193-D236 CarbonylContact C-O 3.51Å; P193-D236 WeakPolarHBondContact CA-O 3.49Å; K194-D236 PolarHBondContact N-O 3.3Å; D236-M312 WeakPolarHBondContact CA-O 3.11Å; D236-M312 PolarHBondContact N-O 3.29Å; D236-T314 PolarHBondContact OD1-OG1 2.85Å
237	F	94.4	Very high	64.7	Low	2 Å²	2	58.9 Å²	58.9	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.4	167.6	-79.8	-99.6	0	0	0	111.2	F181 K194 F196 A235 F239 M312 L313	F181-F237 HydrophobicContact CB-CE1 4.11Å; F181-F237 HydrophobicContact CB-CZ 3.85Å; K194-F237 HydrophobicContact CB-CD1 3.88Å; K194-F237 HydrophobicContact CB-CE1 4.01Å; K194-F237 HydrophobicContact CB-CG 4.16Å; K194-F237 HydrophobicContact CB-CZ 4.39Å; K194-F237 HydrophobicContact CD-CD2 4.15Å; K194-F237 HydrophobicContact CD-CE1 4.17Å; K194-F237 HydrophobicContact CD-CE2 3.66Å; K194-F237 HydrophobicContact CD-CZ 3.69Å; K194-F237 WeakPolarHBondContact O-CA 3.35Å; F196-F237 HydrophobicContact CD2-CD1 4.01Å; F196-F237 HydrophobicContact CD2-CE1 4.3Å; F196-F237 AromaticContact CE2-CD1 3.72Å; F196-F237 HydrophobicContact CE2-CD1 3.72Å; F196-F237 AromaticContact CE2-CE1 3.57Å; F196-F237 HydrophobicContact CE2-CE1 3.57Å; F196-F237 HydrophobicContact CZ-CE1 4.34Å; A235-F237 PolarHBondContact O-N 2.92Å; F237-F239 HydrophobicContact CB-CE2 3.77Å; F237-F239 HydrophobicContact CB-CZ 3.97Å; F237-F239 HydrophobicContact CD1-CE1 4.15Å; F237-F239 HydrophobicContact CD1-CE2 4.27Å; F237-F239 AromaticContact CD1-CZ 3.58Å; F237-F239 HydrophobicContact CD1-CZ 3.58Å; F237-F239 HydrophobicContact CE1-CZ 4.38Å; F237-F239 HydrophobicContact CG-CE2 4.34Å; F237-F239 HydrophobicContact CG-CZ 4.07Å; F237-M312 CarbonylContact O-C 3.56Å; F237-M312 WeakPolarHBondContact O-CA 3.22Å; F237-M312 PolarHBondContact O-N 2.71Å; F237-L313 PolarHBondContact O-N 3.41Å
238	L	97.6	Very high	66.3	Low	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129	165.7	-178.1	147	0	0	0	108.7	K194 L195 F196 A240 I276 M277 L280 L313	K194-L238 PolarHBondContact O-N 3.19Å; L195-L238 HydrophobicContact CD2-CB 3.84Å; F196-L238 PolarHBondContact N-O 2.88Å; L238-A240 HydrophobicContact CD2-CB 4.12Å; L238-I276 HydrophobicContact CD1-CG1 4.08Å; L238-I276 HydrophobicContact CD1-CG2 4.01Å; L238-M277 HydrophobicContact CD1-SD 3.87Å; L238-L280 HydrophobicContact CD1-CD1 4.03Å; L238-L280 HydrophobicContact CD2-CD1 3.73Å; L238-L280 HydrophobicContact CG-CD1 4.43Å; L238-L313 HydrophobicContact CB-CD1 4.21Å; L238-L313 HydrophobicContact CB-CD2 4.11Å; L238-L313 HydrophobicContact CB-CG 4.02Å; L238-L313 HydrophobicContact CD1-CD1 3.58Å; L238-L313 HydrophobicContact CD1-CG 4.14Å
239	F	94.1	Very high	68.2	Low	24 Å²	24	42.8 Å²	42.8	11%	0.105	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.3	173.4	-53.4	-83.1	0	0	0	109.2	T178 F196 I198 F237 Y241 V309 V310 M312	T178-F239 HydrophobicContact CG2-CD1 4.49Å; T178-F239 HydrophobicContact CG2-CE1 3.64Å; T178-F239 HydrophobicContact CG2-CZ 4.45Å; F196-F239 HydrophobicContact CB-CD1 3.64Å; F196-F239 HydrophobicContact CB-CE1 4.06Å; F196-F239 HydrophobicContact CD2-CD1 4.24Å; F196-F239 AromaticContact CD2-CE1 3.82Å; F196-F239 HydrophobicContact CD2-CE1 3.82Å; F196-F239 HydrophobicContact CG-CD1 4.11Å; F196-F239 HydrophobicContact CG-CE1 4Å; F196-F239 CarbonylContact O-C 3.56Å; F196-F239 WeakPolarHBondContact O-CA 3.19Å; I198-F239 HydrophobicContact CD1-CD1 4.33Å; F237-F239 HydrophobicContact CB-CE2 3.77Å; F237-F239 HydrophobicContact CB-CZ 3.97Å; F237-F239 HydrophobicContact CD1-CE1 4.15Å; F237-F239 HydrophobicContact CD1-CE2 4.27Å; F237-F239 AromaticContact CD1-CZ 3.58Å; F237-F239 HydrophobicContact CD1-CZ 3.58Å; F237-F239 HydrophobicContact CE1-CZ 4.38Å; F237-F239 HydrophobicContact CG-CE2 4.34Å; F237-F239 HydrophobicContact CG-CZ 4.07Å; F239-Y241 HydrophobicContact CB-CD2 4.05Å; F239-Y241 HydrophobicContact CB-CE2 3.39Å; F239-Y241 HydrophobicContact CG-CE2 4.25Å; F239-V309 WeakPolarHBondContact O-CA 3.17Å; F239-V310 HydrophobicContact CB-CB 4.34Å; F239-V310 HydrophobicContact CD2-CB 4.49Å; F239-V310 PolarHBondContact N-O 3.1Å; F239-V310 PolarHBondContact O-N 3Å; F239-M312 HydrophobicContact CD2-SD 4.47Å; F239-M312 HydrophobicContact CE2-SD 4.38Å
240	A	94.9	Very high	70.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	97.7	173.2	0	0	0	0	0	108.8	F196 F197 I198 L238 F259 L280	F196-A240 PolarHBondContact O-N 3.31Å; F197-A240 WeakPolarHBondContact CA-O 3.4Å; F197-A240 HydrophobicContact CD1-CB 3.72Å; F197-A240 HydrophobicContact CE1-CB 4.15Å; F197-A240 HydrophobicContact CG-CB 4.47Å; I198-A240 PolarHBondContact N-O 3.48Å; L238-A240 HydrophobicContact CD2-CB 4.12Å; A240-F259 HydrophobicContact CB-CZ 4.23Å; A240-L280 HydrophobicContact CB-CD1 4.09Å; A240-L280 HydrophobicContact CB-CD2 3.93Å
241	Y	88.8	Confident	72.9	Confident	26 Å²	26	27.4 Å²	27.4	10%	0.102	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.1	176.4	-63.4	-89	0	0	0	110.3	I174 I198 F239 T243 P307 C308 V310	I174-Y241 HydrophobicContact CD1-CE1 4.17Å; I198-Y241 HydrophobicContact CB-CD1 3.86Å; I198-Y241 HydrophobicContact CB-CE1 4.19Å; I198-Y241 HydrophobicContact CD1-CD1 3.87Å; I198-Y241 HydrophobicContact CD1-CE1 3.34Å; I198-Y241 HydrophobicContact CG1-CD1 4.45Å; I198-Y241 HydrophobicContact CG1-CE1 4.35Å; I198-Y241 HydrophobicContact CG2-CD1 4Å; I198-Y241 HydrophobicContact CG2-CE1 4.22Å; F239-Y241 HydrophobicContact CB-CD2 4.05Å; F239-Y241 HydrophobicContact CB-CE2 3.39Å; F239-Y241 HydrophobicContact CG-CE2 4.25Å; Y241-T243 WeakPolarHBondContact CB-O 3.43Å; Y241-T243 PolarHBondContact O-N 2.71Å; Y241-P307 WeakPolarHBondContact O-CA 3.28Å; Y241-P307 VanDerWaalsContact O-CB 3.27Å; Y241-P307 WeakPolarHBondContact O-CB 3.23Å; Y241-C308 PolarHBondContact N-O 3.06Å; Y241-C308 PolarHBondContact O-N 3.44Å; Y241-V310 HydrophobicContact CD2-CG2 4.47Å; Y241-V310 HydrophobicContact CE2-CG2 4.27Å
242	S	77.1	Confident	75.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-66.6	-22.1	177.8	61.8	0	0	0	0	114.2	I198 Q199 A200 S249 Q305 P307	I198-S242 PolarHBondContact O-N 2.69Å; I198-S242 PolarHBondContact O-OG 3.48Å; Q199-S242 PolarHBondContact OE1-OG 2.67Å; A200-S242 PolarHBondContact O-OG 3.14Å; S242-S249 WeakPolarHBondContact CB-OG 3.34Å; S242-S249 PolarHBondContact OG-OG 3.48Å; S242-Q305 PolarHBondContact O-NE2 2.95Å; S242-P307 WeakPolarHBondContact O-CA 3.16Å
243	T	66.5	Low	76.7	Confident	3 Å²	3	21 Å²	21	2%	0.018	11%	0.113	C	C	.	.	S	Bend	trans	-145.2	162.8	179.7	-162.9	0	0	0	0	111.7	R202 Y241 Y247 Y248 I306	R202-T243 HydrophobicContact CB-CG2 4.26Å; R202-T243 VanDerWaalsContact CD-O 3.31Å; R202-T243 WeakPolarHBondContact CD-O 3.2Å; R202-T243 HydrophobicContact CG-CG2 4.06Å; Y241-T243 WeakPolarHBondContact CB-O 3.43Å; Y241-T243 PolarHBondContact O-N 2.71Å; T243-Y247 WeakPolarHBondContact CG2-O 3.44Å; T243-Y248 WeakPolarHBondContact CB-O 3.27Å; T243-Y248 PolarHBondContact OG1-O 2.93Å; T243-I306 WeakPolarHBondContact CA-O 3.35Å
244	V	54.2	Low	77.1	Confident	38 Å²	38	19.4 Å²	19.4	23%	0.23	11%	0.108	C	C	.	.			trans	-71.9	154.5	174.4	-75.5	0	0	0	0	111.7	G246 Y247 I306 C308	V244-G246 PolarHBondContact O-N 2.86Å; V244-Y247 HydrophobicContact CB-CD2 4.43Å; V244-Y247 HydrophobicContact CG2-CD2 3.42Å; V244-Y247 VanDerWaalsContact CG2-CD2 3.42Å; V244-Y247 HydrophobicContact CG2-CE2 4.01Å; V244-Y247 HydrophobicContact CG2-CG 3.75Å; V244-Y247 PolarHBondContact O-N 2.88Å; V244-I306 HydrophobicContact CG1-CG2 4.03Å; V244-I306 HydrophobicContact CG2-CG2 4.17Å; V244-I306 PolarHBondContact N-O 2.9Å; V244-C308 HydrophobicContact CG1-CB 3.93Å
245	P	52	Low	77.5	Confident	56 Å²	56	22.1 Å²	22.1	36%	0.364	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	137	174.8	-16.8	25.6	0	0	0	111.8	Y247	P245-Y247 WeakPolarHBondContact O-CD2 3.27Å
246	G	50.1	Low	77.9	Confident	13 Å²	13	21.6 Å²	21.6	13%	0.134	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-19.7	-178.7	0	0	0	0	0	114.9	R202 G203 S204 E205 V244	R202-G246 WeakPolarHBondContact O-CA 3.28Å; R202-G246 PolarHBondContact O-N 2.91Å; G203-G246 CarbonylContact C-O 3.29Å; G203-G246 VanDerWaalsContact C-O 3.29Å; G203-G246 VanDerWaalsContact CA-O 3.31Å; G203-G246 WeakPolarHBondContact CA-O 3.29Å; S204-G246 PolarHBondContact N-O 2.89Å; E205-G246 VanDerWaalsContact CB-O 3.28Å; E205-G246 WeakPolarHBondContact CB-O 3.5Å; E205-G246 WeakPolarHBondContact CG-O 3.48Å; E205-G246 PolarHBondContact N-O 3.43Å; V244-G246 PolarHBondContact O-N 2.86Å
247	Y	63.7	Low	77.9	Confident	73 Å²	73	21.6 Å²	21.6	29%	0.286	11%	0.111	S	C	.	.	B	Isolated β-bridge	trans	-106.7	159.1	-167.2	-69.4	-105.4	0	0	0	114.2	R202 E205 D207 T243 V244 P245	R202-Y247 PolarHBondContact N-O 3.3Å; R202-Y247 VanDerWaalsContact N-O 3.15Å; E205-Y247 HydrophobicContact CB-CD1 4.25Å; E205-Y247 HydrophobicContact CB-CE1 4.31Å; E205-Y247 HydrophobicContact CB-CG 4.41Å; E205-Y247 VanDerWaalsContact O-CA 3.3Å; E205-Y247 WeakPolarHBondContact O-CA 3.47Å; D207-Y247 HydrophobicContact CB-CD1 3.95Å; D207-Y247 HydrophobicContact CB-CE1 4.02Å; T243-Y247 WeakPolarHBondContact CG2-O 3.44Å; V244-Y247 HydrophobicContact CB-CD2 4.43Å; V244-Y247 HydrophobicContact CG2-CD2 3.42Å; V244-Y247 VanDerWaalsContact CG2-CD2 3.42Å; V244-Y247 HydrophobicContact CG2-CE2 4.01Å; V244-Y247 HydrophobicContact CG2-CG 3.75Å; V244-Y247 PolarHBondContact O-N 2.88Å; P245-Y247 WeakPolarHBondContact O-CD2 3.27Å
248	Y	66.3	Low	77.8	Confident	7 Å²	7	21.7 Å²	21.7	3%	0.027	11%	0.111	C	C	.	.			trans	-66.9	156	168.9	-70.8	-71.3	0	0	0	112.5	V33 A35 S204 E205 F206 T243	V33-Y248 HydrophobicContact CB-CD1 3.62Å; V33-Y248 HydrophobicContact CB-CE1 4.26Å; V33-Y248 HydrophobicContact CB-CG 4.11Å; V33-Y248 HydrophobicContact CG1-CD1 3.89Å; V33-Y248 HydrophobicContact CG1-CG 3.84Å; V33-Y248 HydrophobicContact CG2-CD1 3.88Å; V33-Y248 HydrophobicContact CG2-CE1 3.98Å; A35-Y248 HydrophobicContact CB-CD1 3.76Å; A35-Y248 HydrophobicContact CB-CE1 3.57Å; S204-Y248 WeakPolarHBondContact CB-OH 3.44Å; S204-Y248 WeakPolarHBondContact O-CE2 3.5Å; S204-Y248 PolarHBondContact O-OH 3.49Å; E205-Y248 WeakPolarHBondContact O-CD2 3.3Å; E205-Y248 PolarHBondContact O-N 3.04Å; F206-Y248 AromaticContact CD1-CD2 3.4Å; F206-Y248 HydrophobicContact CD1-CD2 3.4Å; F206-Y248 AromaticContact CD1-CE2 3.76Å; F206-Y248 HydrophobicContact CD1-CE2 3.76Å; F206-Y248 HydrophobicContact CD1-CG 4.42Å; F206-Y248 HydrophobicContact CD2-CD2 4.36Å; F206-Y248 HydrophobicContact CD2-CE2 4.02Å; F206-Y248 AromaticContact CE1-CD2 3.29Å; F206-Y248 HydrophobicContact CE1-CD2 3.29Å; F206-Y248 AromaticContact CE1-CE2 3.33Å; F206-Y248 HydrophobicContact CE1-CE2 3.33Å; F206-Y248 HydrophobicContact CE1-CG 4.21Å; F206-Y248 HydrophobicContact CE2-CD2 4.28Å; F206-Y248 AromaticContact CE2-CE2 3.62Å; F206-Y248 HydrophobicContact CE2-CE2 3.62Å; F206-Y248 AromaticContact CG-CD2 3.95Å; F206-Y248 HydrophobicContact CG-CD2 3.95Å; F206-Y248 HydrophobicContact CG-CE2 4.08Å; F206-Y248 AromaticContact CZ-CD2 3.76Å; F206-Y248 HydrophobicContact CZ-CD2 3.76Å; F206-Y248 AromaticContact CZ-CE2 3.24Å; F206-Y248 HydrophobicContact CZ-CE2 3.24Å; F206-Y248 AromaticContact CZ-CZ 3.98Å; T243-Y248 WeakPolarHBondContact CB-O 3.27Å; T243-Y248 PolarHBondContact OG1-O 2.93Å
249	S	72.7	Confident	77.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.			trans	-121.4	132.6	166.1	-166.3	0	0	0	0	109.5	V33 D34 Q199 C201 S242 Q305	V33-S249 WeakPolarHBondContact CA-O 3.47Å; D34-S249 PolarHBondContact N-O 2.58Å; Q199-S249 PolarHBondContact NE2-OG 3.17Å; Q199-S249 PolarHBondContact OE1-OG 3.39Å; C201-S249 PolarHBondContact SG-N 3.49Å; S242-S249 WeakPolarHBondContact CB-OG 3.34Å; S242-S249 PolarHBondContact OG-OG 3.48Å; S249-Q305 PolarHBondContact OG-NE2 2.86Å
250	W	77.8	Confident	77.8	Confident	3 Å²	3	20.9 Å²	20.9	1%	0.011	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.9	-171.1	-66.1	93.3	0	0	0	113	D31 V33 F206 W258 F300 K303	D31-W250 HydrophobicContact CB-CE3 3.81Å; D31-W250 HydrophobicContact CB-CZ3 4.27Å; V33-W250 HydrophobicContact CG1-CD2 3.82Å; V33-W250 HydrophobicContact CG1-CE3 3.68Å; V33-W250 HydrophobicContact CG1-CH2 3.75Å; V33-W250 HydrophobicContact CG1-CZ2 3.86Å; V33-W250 HydrophobicContact CG1-CZ3 3.67Å; F206-W250 HydrophobicContact CD1-CZ2 4.06Å; F206-W250 HydrophobicContact CE1-CH2 4.41Å; F206-W250 HydrophobicContact CE1-CZ2 4.19Å; W250-W258 HydrophobicContact CB-CD2 3.62Å; W250-W258 HydrophobicContact CB-CE3 3.74Å; W250-W258 HydrophobicContact CB-CG 4.31Å; W250-W258 HydrophobicContact CB-CH2 3.78Å; W250-W258 HydrophobicContact CB-CZ2 3.69Å; W250-W258 HydrophobicContact CB-CZ3 3.82Å; W250-W258 AromaticContact CD1-CH2 3.72Å; W250-W258 AromaticContact CD1-CZ3 3.51Å; W250-W258 HydrophobicContact CD2-CH2 4.03Å; W250-W258 HydrophobicContact CD2-CZ2 4.31Å; W250-W258 HydrophobicContact CG-CD2 4.41Å; W250-W258 HydrophobicContact CG-CE3 4.13Å; W250-W258 AromaticContact CG-CH2 3.56Å; W250-W258 HydrophobicContact CG-CH2 3.56Å; W250-W258 AromaticContact CG-CZ2 3.89Å; W250-W258 HydrophobicContact CG-CZ2 3.89Å; W250-W258 AromaticContact CG-CZ3 3.7Å; W250-W258 HydrophobicContact CG-CZ3 3.7Å; W250-W258 PolarHBondContact O-N 3.49Å; W250-F300 HydrophobicContact CH2-CB 3.9Å; W250-F300 HydrophobicContact CH2-CD1 4.09Å; W250-F300 WeakPolarHBondContact CH2-O 3.17Å; W250-F300 HydrophobicContact CZ3-CB 4.39Å; W250-K303 HydrophobicContact CH2-CB 4.41Å; W250-K303 HydrophobicContact CH2-CG 4.27Å; W250-K303 HydrophobicContact CZ2-CB 3.54Å; W250-K303 HydrophobicContact CZ2-CG 3.73Å
251	R	88.3	Confident	77.8	Confident	7 Å²	7	22.8 Å²	22.8	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133	178.8	174	172.3	47.8	62.3	8.9	111.7	H32 D34 N103	H32-R251 PolarHBondContact N-O 3.45Å; H32-R251 PolarHBondContact O-N 2.94Å; D34-R251 IonicContact OD1-CZ 2.9Å; D34-R251 VanDerWaalsContact OD1-CZ 3.29Å; D34-R251 IonicContact OD1-NE 3.47Å; D34-R251 PolarHBondContact OD1-NE 2.76Å; D34-R251 IonicContact OD1-NH2 3.37Å; D34-R251 PolarHBondContact OD1-NH2 2.94Å; N103-R251 VanDerWaalsContact O-CD 3.3Å; N103-R251 WeakPolarHBondContact O-CD 3.48Å; N103-R251 PolarHBondContact O-NH1 2.96Å
252	N	84.9	Confident	78.2	Confident	15 Å²	15	21.5 Å²	21.5	8%	0.08	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.1	170.8	-169.9	-87.9	0	0	0	110	D31 G254 R255 G256	D31-N252 WeakPolarHBondContact OD1-CA 3.35Å; D31-N252 WeakPolarHBondContact OD1-CB 3.49Å; D31-N252 PolarHBondContact OD1-ND2 3.42Å; N252-G254 VanDerWaalsContact C-N 3.29Å; N252-G254 PolarHBondContact O-N 3.32Å; N252-G254 PolarHBondContact OD1-N 2.91Å; N252-R255 HydrophobicContact CB-CB 3.95Å; N252-R255 PolarHBondContact O-N 2.82Å; N252-R255 PolarHBondContact OD1-N 3.48Å; N252-G256 PolarHBondContact N-O 3.01Å; N252-G256 WeakPolarHBondContact O-CA 3.36Å; N252-G256 PolarHBondContact O-N 2.97Å
253	P	75.8	Confident	79.2	Confident	21 Å²	21	21.6 Å²	21.6	14%	0.136	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-36.1	-179.1	-24.9	36	0	0	0	113.6	T28 E30 H32 N103 G104	T28-P253 WeakPolarHBondContact OG1-CB 3.27Å; E30-P253 WeakPolarHBondContact O-CD 3.46Å; H32-P253 WeakPolarHBondContact CD2-CG 3.49Å; H32-P253 VanDerWaalsContact NE2-CG 3.3Å; H32-P253 WeakPolarHBondContact NE2-CG 3.27Å; N103-P253 HydrophobicContact CB-CB 3.84Å; G104-P253 WeakPolarHBondContact CA-O 3.45Å; G104-P253 PolarHBondContact N-O 3.24Å
254	G	75.4	Confident	80.7	Confident	25 Å²	25	21.7 Å²	21.7	26%	0.258	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-37.4	-179.8	0	0	0	0	0	112.8	R107 N252	R107-G254 VanDerWaalsContact CD-O 3.24Å; R107-G254 WeakPolarHBondContact CD-O 3.16Å; R107-G254 PolarHBondContact NH1-O 3.36Å; N252-G254 VanDerWaalsContact C-N 3.29Å; N252-G254 PolarHBondContact O-N 3.32Å; N252-G254 PolarHBondContact OD1-N 2.91Å
255	R	81.9	Confident	82.7	Confident	139 Å²	139	24.1 Å²	24.1	53%	0.525	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-14.5	-169.8	-64.3	179.9	148.8	-159	-7.9	115.8	R107 N252 Q261	R107-R255 PolarHBondContact NE-O 2.95Å; N252-R255 HydrophobicContact CB-CB 3.95Å; N252-R255 PolarHBondContact O-N 2.82Å; N252-R255 PolarHBondContact OD1-N 3.48Å; R255-Q261 PolarHBondContact O-NE2 3.38Å
256	G	87.8	Confident	84.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-172.6	-173.4	0	0	0	0	0	112.9	D108 N252 Q261	D108-G256 WeakPolarHBondContact OD1-CA 3.36Å; N252-G256 PolarHBondContact N-O 3.01Å; N252-G256 WeakPolarHBondContact O-CA 3.36Å; N252-G256 PolarHBondContact O-N 2.97Å; G256-Q261 PolarHBondContact O-NE2 2.88Å
257	S	91.1	Very high	87.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.3	-178.7	59.8	0	0	0	0	113.1	D108 F259 V260 Q261	D108-S257 VanDerWaalsContact CG-N 3.3Å; D108-S257 PolarHBondContact OD1-N 2.85Å; D108-S257 VanDerWaalsContact OD2-CB 3.23Å; D108-S257 WeakPolarHBondContact OD2-CB 3.43Å; D108-S257 PolarHBondContact OD2-N 2.8Å; D108-S257 PolarHBondContact OD2-OG 3.27Å; S257-F259 VanDerWaalsContact C-N 3.26Å; S257-F259 PolarHBondContact O-N 3.26Å; S257-V260 PolarHBondContact O-N 3.02Å; S257-V260 VanDerWaalsContact OG-CB 3.27Å; S257-V260 WeakPolarHBondContact OG-CB 3.2Å; S257-V260 WeakPolarHBondContact OG-CG2 3.24Å; S257-Q261 WeakPolarHBondContact O-CB 3.3Å; S257-Q261 VanDerWaalsContact O-CG 3.28Å; S257-Q261 WeakPolarHBondContact O-CG 3.14Å; S257-Q261 PolarHBondContact O-N 3.27Å; S257-Q261 PolarHBondContact O-NE2 2.83Å
258	W	92.6	Very high	88.7	Confident	5 Å²	5	21.5 Å²	21.5	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-40.3	-177.5	-59.9	-9.5	0	0	0	111.8	D31 W250 A262 F291 S293 Q305	D31-W258 HydrophobicContact CB-CZ2 4.43Å; D31-W258 WeakPolarHBondContact OD2-CZ2 3.35Å; W250-W258 HydrophobicContact CB-CD2 3.62Å; W250-W258 HydrophobicContact CB-CE3 3.74Å; W250-W258 HydrophobicContact CB-CG 4.31Å; W250-W258 HydrophobicContact CB-CH2 3.78Å; W250-W258 HydrophobicContact CB-CZ2 3.69Å; W250-W258 HydrophobicContact CB-CZ3 3.82Å; W250-W258 AromaticContact CD1-CH2 3.72Å; W250-W258 AromaticContact CD1-CZ3 3.51Å; W250-W258 HydrophobicContact CD2-CH2 4.03Å; W250-W258 HydrophobicContact CD2-CZ2 4.31Å; W250-W258 HydrophobicContact CG-CD2 4.41Å; W250-W258 HydrophobicContact CG-CE3 4.13Å; W250-W258 AromaticContact CG-CH2 3.56Å; W250-W258 HydrophobicContact CG-CH2 3.56Å; W250-W258 AromaticContact CG-CZ2 3.89Å; W250-W258 HydrophobicContact CG-CZ2 3.89Å; W250-W258 AromaticContact CG-CZ3 3.7Å; W250-W258 HydrophobicContact CG-CZ3 3.7Å; W250-W258 PolarHBondContact O-N 3.49Å; W258-A262 WeakPolarHBondContact O-CB 3.28Å; W258-A262 PolarHBondContact O-N 3.44Å; W258-F291 HydrophobicContact CB-CB 4.29Å; W258-F291 HydrophobicContact CB-CD1 3.64Å; W258-F291 HydrophobicContact CB-CD2 4.14Å; W258-F291 HydrophobicContact CB-CE1 3.88Å; W258-F291 HydrophobicContact CB-CE2 4.35Å; W258-F291 HydrophobicContact CB-CG 3.76Å; W258-F291 HydrophobicContact CB-CZ 4.22Å; W258-F291 AromaticContact CD1-CD1 3.29Å; W258-F291 AromaticContact CD1-CE1 3.76Å; W258-F291 HydrophobicContact CD2-CB 3.45Å; W258-F291 VanDerWaalsContact CD2-CB 3.45Å; W258-F291 AromaticContact CD2-CD1 3.8Å; W258-F291 HydrophobicContact CD2-CD1 3.8Å; W258-F291 AromaticContact CD2-CG 3.82Å; W258-F291 HydrophobicContact CD2-CG 3.82Å; W258-F291 HydrophobicContact CE3-CB 3.47Å; W258-F291 VanDerWaalsContact CE3-CB 3.47Å; W258-F291 HydrophobicContact CE3-CG 4.21Å; W258-F291 HydrophobicContact CG-CB 3.85Å; W258-F291 AromaticContact CG-CD1 3.28Å; W258-F291 HydrophobicContact CG-CD1 3.28Å; W258-F291 HydrophobicContact CG-CD2 4.47Å; W258-F291 AromaticContact CG-CE1 3.88Å; W258-F291 HydrophobicContact CG-CE1 3.88Å; W258-F291 AromaticContact CG-CG 3.62Å; W258-F291 HydrophobicContact CG-CG 3.62Å; W258-F291 HydrophobicContact CH2-CB 4.37Å; W258-F291 HydrophobicContact CZ2-CB 4.33Å; W258-F291 HydrophobicContact CZ3-CB 3.96Å; W258-F291 AromaticContact NE1-CD1 3.78Å; W258-S293 VanDerWaalsContact CH2-N 3.26Å; W258-Q305 HydrophobicContact CE3-CB 3.75Å; W258-Q305 HydrophobicContact CZ3-CB 3.74Å
259	F	94.8	Very high	90.1	Very high	4 Å²	4	27 Å²	27	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-47.1	177.2	173.3	-110	0	0	0	112	A240 S257 A262 L263 V283 P307	A240-F259 HydrophobicContact CB-CZ 4.23Å; S257-F259 VanDerWaalsContact C-N 3.26Å; S257-F259 PolarHBondContact O-N 3.26Å; F259-A262 PolarHBondContact O-N 2.83Å; F259-L263 HydrophobicContact CE1-CD2 4.11Å; F259-L263 HydrophobicContact CZ-CD2 4.1Å; F259-L263 WeakPolarHBondContact O-CB 3.41Å; F259-L263 PolarHBondContact O-N 3.25Å; F259-V283 HydrophobicContact CD2-CG1 3.83Å; F259-V283 HydrophobicContact CE2-CG1 3.82Å; F259-P307 HydrophobicContact CD2-CB 3.9Å; F259-P307 HydrophobicContact CD2-CG 3.88Å; F259-P307 HydrophobicContact CE2-CB 4.08Å; F259-P307 HydrophobicContact CE2-CG 4.44Å
260	V	96.4	Very high	91.2	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-41.1	-179.5	172.6	0	0	0	0	111.4	D108 L112 L157 Q199 S257 A262 L263 C264	D108-V260 HydrophobicContact CB-CB 4.1Å; D108-V260 HydrophobicContact CB-CG1 3.73Å; D108-V260 HydrophobicContact CB-CG2 4.16Å; L112-V260 HydrophobicContact CD1-CG1 3.77Å; L112-V260 HydrophobicContact CD1-CG2 3.92Å; L112-V260 HydrophobicContact CD2-CG1 4.01Å; L112-V260 HydrophobicContact CG-CG1 3.61Å; L157-V260 HydrophobicContact CD2-CG2 4.16Å; Q199-V260 HydrophobicContact CB-CG2 4.4Å; S257-V260 PolarHBondContact O-N 3.02Å; S257-V260 VanDerWaalsContact OG-CB 3.27Å; S257-V260 WeakPolarHBondContact OG-CB 3.2Å; S257-V260 WeakPolarHBondContact OG-CG2 3.24Å; V260-A262 PolarHBondContact O-N 2.77Å; V260-L263 PolarHBondContact O-N 3.42Å; V260-C264 WeakPolarHBondContact O-CB 3.32Å; V260-C264 PolarHBondContact O-N 3.34Å; V260-C264 PolarHBondContact O-SG 3.3Å
261	Q	96.5	Very high	92	Very high	40 Å²	40	28.8 Å²	28.8	19%	0.187	15%	0.149	C	C	.	.	H	α-helix	trans	-56	-51.2	173.2	-72.8	178	66.4	0	0	110.9	R255 G256 S257 N265 F291	R255-Q261 PolarHBondContact O-NE2 3.38Å; G256-Q261 PolarHBondContact O-NE2 2.88Å; S257-Q261 WeakPolarHBondContact O-CB 3.3Å; S257-Q261 VanDerWaalsContact O-CG 3.28Å; S257-Q261 WeakPolarHBondContact O-CG 3.14Å; S257-Q261 PolarHBondContact O-N 3.27Å; S257-Q261 PolarHBondContact O-NE2 2.83Å; Q261-N265 WeakPolarHBondContact O-CB 3.4Å; Q261-N265 PolarHBondContact O-N 2.9Å; Q261-N265 PolarHBondContact O-ND2 3.44Å; Q261-F291 HydrophobicContact CB-CZ 4.11Å
262	A	96.9	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-43.9	178.8	0	0	0	0	0	112.7	W258 F259 V260 N265 V266 V283 M286 V287 F291	W258-A262 WeakPolarHBondContact O-CB 3.28Å; W258-A262 PolarHBondContact O-N 3.44Å; F259-A262 PolarHBondContact O-N 2.83Å; V260-A262 PolarHBondContact O-N 2.77Å; A262-N265 PolarHBondContact O-N 2.93Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å; A262-V266 PolarHBondContact O-N 3.39Å; A262-V283 HydrophobicContact CB-CG1 4.03Å; A262-M286 HydrophobicContact CB-CB 4.07Å; A262-M286 HydrophobicContact CB-CG 4.03Å; A262-M286 HydrophobicContact CB-SD 3.76Å; A262-V287 HydrophobicContact CB-CG2 3.56Å; A262-F291 HydrophobicContact CB-CE2 4.32Å
263	L	97.9	Very high	92.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-49.1	178.4	-180	62.2	0	0	0	111.5	L112 F197 F259 V260 N265 V266 L267 L280 V283	L112-L263 HydrophobicContact CD2-CD2 4.01Å; F197-L263 HydrophobicContact CD1-CD2 3.73Å; F197-L263 HydrophobicContact CE1-CD1 4.32Å; F197-L263 HydrophobicContact CE1-CD2 4.23Å; F197-L263 HydrophobicContact CG-CD2 4.42Å; F259-L263 HydrophobicContact CE1-CD2 4.11Å; F259-L263 HydrophobicContact CZ-CD2 4.1Å; F259-L263 WeakPolarHBondContact O-CB 3.41Å; F259-L263 PolarHBondContact O-N 3.25Å; V260-L263 PolarHBondContact O-N 3.42Å; L263-N265 VanDerWaalsContact C-N 3.35Å; L263-N265 PolarHBondContact O-N 3.3Å; L263-V266 PolarHBondContact O-N 2.88Å; L263-L267 HydrophobicContact CD1-CD1 3.72Å; L263-L267 HydrophobicContact CD1-CG 3.94Å; L263-L267 HydrophobicContact CG-CD1 3.79Å; L263-L267 HydrophobicContact CG-CG 4.36Å; L263-L267 VanDerWaalsContact O-CB 3.28Å; L263-L267 WeakPolarHBondContact O-CB 3.3Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.41Å; L263-L267 PolarHBondContact O-N 3.03Å; L263-L280 HydrophobicContact CD1-CD2 4.1Å; L263-V283 HydrophobicContact CB-CG1 4.41Å; L263-V283 HydrophobicContact CB-CG2 4.34Å; L263-V283 HydrophobicContact CD1-CG2 3.98Å
264	C	97.8	Very high	93.7	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.034	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-39.8	179.9	-67	0	0	0	0	111.7	E111 C115 V260 S268	E111-C264 HydrophobicContact CB-CB 4.38Å; C115-C264 WeakPolarHBondContact SG-CB 3.42Å; V260-C264 WeakPolarHBondContact O-CB 3.32Å; V260-C264 PolarHBondContact O-N 3.34Å; V260-C264 PolarHBondContact O-SG 3.3Å; C264-S268 VanDerWaalsContact O-CB 3.22Å; C264-S268 WeakPolarHBondContact O-CB 3.46Å; C264-S268 PolarHBondContact O-N 3.13Å; C264-S268 PolarHBondContact O-OG 3.15Å
265	N	96.9	Very high	94.7	Very high	90 Å²	90	38 Å²	38	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-53.4	176	-72.6	-14.8	0	0	0	111.4	Q261 A262 L263 L267 S268 E269 M286	Q261-N265 WeakPolarHBondContact O-CB 3.4Å; Q261-N265 PolarHBondContact O-N 2.9Å; Q261-N265 PolarHBondContact O-ND2 3.44Å; A262-N265 PolarHBondContact O-N 2.93Å; L263-N265 VanDerWaalsContact C-N 3.35Å; L263-N265 PolarHBondContact O-N 3.3Å; N265-L267 PolarHBondContact O-N 2.86Å; N265-S268 PolarHBondContact O-N 3.39Å; N265-E269 PolarHBondContact O-N 3.47Å; N265-E269 VanDerWaalsContact O-N 3.17Å; N265-M286 HydrophobicContact CB-CE 4.24Å; N265-M286 HydrophobicContact CB-SD 4.09Å
266	V	97.8	Very high	95.5	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-40.9	-178.4	-179.8	0	0	0	0	111.3	A262 L263 E269 F270 I279 R282 V283 M286	A262-V266 WeakPolarHBondContact O-CG2 3.34Å; A262-V266 PolarHBondContact O-N 3.39Å; L263-V266 PolarHBondContact O-N 2.88Å; V266-E269 PolarHBondContact O-N 3.36Å; V266-F270 HydrophobicContact CG1-CD2 4.07Å; V266-F270 WeakPolarHBondContact O-CA 3.32Å; V266-F270 VanDerWaalsContact O-CB 3.3Å; V266-F270 WeakPolarHBondContact O-CB 3.42Å; V266-F270 PolarHBondContact O-N 2.87Å; V266-I279 HydrophobicContact CG1-CB 4.34Å; V266-I279 HydrophobicContact CG1-CG2 3.87Å; V266-R282 HydrophobicContact CG1-CB 3.85Å; V266-R282 HydrophobicContact CG2-CB 4.09Å; V266-V283 HydrophobicContact CB-CG2 3.94Å; V266-V283 HydrophobicContact CG1-CG2 4.38Å; V266-V283 HydrophobicContact CG2-CG2 3.94Å; V266-M286 HydrophobicContact CG2-CE 3.56Å; V266-M286 HydrophobicContact CG2-SD 4.47Å
267	L	97.3	Very high	96	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-39.6	177.4	-75.6	176.6	0	0	0	112.4	F116 L119 L263 N265 E269 G271 I279	F116-L267 HydrophobicContact CD2-CD1 4.43Å; F116-L267 HydrophobicContact CE2-CD1 3.76Å; F116-L267 HydrophobicContact CZ-CD1 4.14Å; L119-L267 HydrophobicContact CD1-CD1 4.34Å; L119-L267 HydrophobicContact CD1-CD2 4.02Å; L263-L267 HydrophobicContact CD1-CD1 3.72Å; L263-L267 HydrophobicContact CD1-CG 3.94Å; L263-L267 HydrophobicContact CG-CD1 3.79Å; L263-L267 HydrophobicContact CG-CG 4.36Å; L263-L267 VanDerWaalsContact O-CB 3.28Å; L263-L267 WeakPolarHBondContact O-CB 3.3Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.41Å; L263-L267 PolarHBondContact O-N 3.03Å; N265-L267 PolarHBondContact O-N 2.86Å; L267-E269 VanDerWaalsContact C-N 3.34Å; L267-G271 WeakPolarHBondContact O-CA 3.32Å; L267-G271 PolarHBondContact O-N 3.08Å; L267-I279 HydrophobicContact CD2-CD1 4.08Å; L267-I279 HydrophobicContact CD2-CG2 3.66Å; L267-I279 HydrophobicContact CG-CG2 4.22Å
268	S	95.3	Very high	96.3	Very high	78 Å²	78	37.5 Å²	37.5	55%	0.545	19%	0.186	S	C	.	.	H	α-helix	trans	-66.2	-38.9	-179.8	-61.5	0	0	0	0	111.9	C115 C264 N265	C115-S268 PolarHBondContact SG-OG 3.18Å; C264-S268 VanDerWaalsContact O-CB 3.22Å; C264-S268 WeakPolarHBondContact O-CB 3.46Å; C264-S268 PolarHBondContact O-N 3.13Å; C264-S268 PolarHBondContact O-OG 3.15Å; N265-S268 PolarHBondContact O-N 3.39Å
269	E	96.1	Very high	96.6	Very high	122 Å²	122	37.3 Å²	37.3	57%	0.57	19%	0.186	S	C	*	.	H	α-helix	trans	-80.2	-40.8	-180	-167.9	177	174.9	0	0	112.3	N265 V266 L267	N265-E269 PolarHBondContact O-N 3.47Å; N265-E269 VanDerWaalsContact O-N 3.17Å; V266-E269 PolarHBondContact O-N 3.36Å; L267-E269 VanDerWaalsContact C-N 3.34Å
270	F	96.3	Very high	96.7	Very high	40 Å²	40	37.1 Å²	37.1	18%	0.175	19%	0.185	C	C	.	.	H	α-helix	trans	-124.5	-4.7	-163.9	-62.3	-61.5	0	0	0	115.5	V266 K272 Q273 L274 R282	V266-F270 HydrophobicContact CG1-CD2 4.07Å; V266-F270 WeakPolarHBondContact O-CA 3.32Å; V266-F270 VanDerWaalsContact O-CB 3.3Å; V266-F270 WeakPolarHBondContact O-CB 3.42Å; V266-F270 PolarHBondContact O-N 2.87Å; F270-K272 PolarHBondContact O-N 2.68Å; F270-K272 VanDerWaalsContact O-N 3.09Å; F270-Q273 PolarHBondContact O-N 3.29Å; F270-L274 HydrophobicContact CB-CB 4.36Å; F270-L274 HydrophobicContact CB-CD1 3.39Å; F270-L274 HydrophobicContact CB-CG 3.68Å; F270-L274 HydrophobicContact CD1-CD1 4.04Å; F270-L274 HydrophobicContact CD1-CG 4.33Å; F270-L274 HydrophobicContact CD2-CD1 4.24Å; F270-L274 HydrophobicContact CG-CD1 3.63Å; F270-L274 HydrophobicContact CG-CG 4.19Å; F270-L274 PolarHBondContact O-N 3.45Å; F270-R282 VanDerWaalsContact CD2-NH1 3.34Å
271	G	95	Very high	96.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.7	-168.8	0	0	0	0	0	115.2	L267	L267-G271 WeakPolarHBondContact O-CA 3.32Å; L267-G271 PolarHBondContact O-N 3.08Å
272	K	94.7	Very high	96.9	Very high	119 Å²	119	43.5 Å²	43.5	52%	0.517	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.1	176.1	-58.9	-164.3	174.4	-178.3	0	114.3	S118 L119 F270	S118-K272 WeakPolarHBondContact O-CE 3.2Å; S118-K272 PolarHBondContact O-NZ 3.04Å; L119-K272 HydrophobicContact CD2-CG 4.23Å; F270-K272 PolarHBondContact O-N 2.68Å; F270-K272 VanDerWaalsContact O-N 3.09Å
273	Q	92.8	Very high	96.9	Very high	118 Å²	118	43.5 Å²	43.5	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-37.8	-171.5	-59.1	-179.8	16.6	0	0	112.5	R69 F270	R69-Q273 PolarHBondContact NH2-O 2.87Å; F270-Q273 PolarHBondContact O-N 3.29Å
274	L	95.8	Very high	96.8	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-101.4	157.9	-175.1	-59.7	-176.4	0	0	0	112.2	R67 F270 Q278 I279 R282 Y318	R67-L274 VanDerWaalsContact CZ-CD2 3.47Å; F270-L274 HydrophobicContact CB-CB 4.36Å; F270-L274 HydrophobicContact CB-CD1 3.39Å; F270-L274 HydrophobicContact CB-CG 3.68Å; F270-L274 HydrophobicContact CD1-CD1 4.04Å; F270-L274 HydrophobicContact CD1-CG 4.33Å; F270-L274 HydrophobicContact CD2-CD1 4.24Å; F270-L274 HydrophobicContact CG-CD1 3.63Å; F270-L274 HydrophobicContact CG-CG 4.19Å; F270-L274 PolarHBondContact O-N 3.45Å; L274-Q278 HydrophobicContact CB-CB 4.3Å; L274-I279 HydrophobicContact CB-CD1 4.24Å; L274-I279 HydrophobicContact CB-CG1 3.72Å; L274-I279 HydrophobicContact CD1-CG1 4.43Å; L274-R282 VanDerWaalsContact CD1-CZ 3.43Å; L274-Y318 WeakPolarHBondContact O-CD1 3.27Å
275	E	97.1	Very high	96.6	Very high	18 Å²	18	52.8 Å²	52.8	8%	0.084	26%	0.255	C	S	.	.			trans	-76.4	149.7	172.7	-161.9	-77.2	147.3	0	0	109.9	M277 Q278 I279 E316 L317 Y318	E275-M277 VanDerWaalsContact C-N 3.32Å; E275-M277 PolarHBondContact O-N 2.87Å; E275-M277 WeakPolarHBondContact OE2-CA 3.43Å; E275-M277 WeakPolarHBondContact OE2-CB 3.35Å; E275-M277 PolarHBondContact OE2-N 3.28Å; E275-Q278 HydrophobicContact CB-CG 4.11Å; E275-Q278 VanDerWaalsContact N-OE1 3.16Å; E275-Q278 WeakPolarHBondContact O-CA 3.46Å; E275-Q278 WeakPolarHBondContact O-CB 3.43Å; E275-Q278 PolarHBondContact O-N 2.92Å; E275-I279 WeakPolarHBondContact O-CG1 3.33Å; E275-I279 PolarHBondContact O-N 3Å; E275-E316 HydrophobicContact CG-CB 3.79Å; E275-E316 HydrophobicContact CG-CG 4.18Å; E275-E316 WeakPolarHBondContact OE1-CA 3.5Å; E275-L317 CarbonylContact C-O 3.57Å; E275-L317 WeakPolarHBondContact CA-O 3.3Å; E275-L317 PolarHBondContact OE1-N 2.86Å; E275-Y318 HydrophobicContact CB-CD1 4.21Å; E275-Y318 HydrophobicContact CB-CE1 3.59Å; E275-Y318 HydrophobicContact CB-CE2 4.15Å; E275-Y318 HydrophobicContact CG-CD2 4.41Å; E275-Y318 HydrophobicContact CG-CE1 4.27Å; E275-Y318 HydrophobicContact CG-CE2 3.92Å; E275-Y318 VanDerWaalsContact N-CE1 3.27Å
276	I	98.2	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-39.5	-173.1	-172.7	61.8	0	0	0	113.8	F197 L238 Q278 I279 L280 L313 L317 F319	F197-I276 HydrophobicContact CZ-CD1 4.47Å; L238-I276 HydrophobicContact CD1-CG1 4.08Å; L238-I276 HydrophobicContact CD1-CG2 4.01Å; I276-Q278 VanDerWaalsContact C-N 3.32Å; I276-Q278 PolarHBondContact O-N 3.07Å; I276-I279 WeakPolarHBondContact O-CB 3.41Å; I276-I279 PolarHBondContact O-N 2.96Å; I276-L280 HydrophobicContact CD1-CD1 4.24Å; I276-L280 HydrophobicContact CD1-CG 4.19Å; I276-L280 HydrophobicContact CG1-CD1 3.96Å; I276-L280 HydrophobicContact CG1-CG 4.32Å; I276-L280 WeakPolarHBondContact O-CB 3.28Å; I276-L280 VanDerWaalsContact O-CG 3.3Å; I276-L280 WeakPolarHBondContact O-CG 3.31Å; I276-L280 PolarHBondContact O-N 2.92Å; I276-L313 HydrophobicContact CG2-CD1 3.76Å; I276-L317 HydrophobicContact CB-CB 4.25Å; I276-L317 HydrophobicContact CB-CD2 4.27Å; I276-L317 HydrophobicContact CB-CG 4.4Å; I276-L317 HydrophobicContact CG2-CB 3.73Å; I276-L317 HydrophobicContact CG2-CD2 4.16Å; I276-L317 HydrophobicContact CG2-CG 4.32Å; I276-L317 PolarHBondContact N-O 2.68Å; I276-F319 HydrophobicContact CD1-CE2 3.95Å; I276-F319 HydrophobicContact CD1-CZ 4.32Å
277	M	97.9	Very high	96.2	Very high	64 Å²	64	50.4 Å²	50.4	32%	0.315	24%	0.241	S	C	.	.	H	α-helix	trans	-68.5	-34.3	177.3	-63.6	-60.8	-59.4	0	0	111.2	L238 E275 L280 T281 V309	L238-M277 HydrophobicContact CD1-SD 3.87Å; E275-M277 VanDerWaalsContact C-N 3.32Å; E275-M277 PolarHBondContact O-N 2.87Å; E275-M277 WeakPolarHBondContact OE2-CA 3.43Å; E275-M277 WeakPolarHBondContact OE2-CB 3.35Å; E275-M277 PolarHBondContact OE2-N 3.28Å; M277-L280 PolarHBondContact O-N 3.44Å; M277-T281 VanDerWaalsContact O-CB 3.28Å; M277-T281 WeakPolarHBondContact O-CB 3.49Å; M277-T281 PolarHBondContact O-N 3.33Å; M277-T281 PolarHBondContact O-OG1 2.79Å; M277-V309 HydrophobicContact CE-CB 4.44Å; M277-V309 HydrophobicContact CE-CG1 3.74Å; M277-V309 HydrophobicContact SD-CG1 3.86Å
278	Q	97.8	Very high	95.6	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-41.2	174	-60.9	178.9	-39.9	0	0	111.6	L274 E275 I276 T281 R282	L274-Q278 HydrophobicContact CB-CB 4.3Å; E275-Q278 HydrophobicContact CB-CG 4.11Å; E275-Q278 VanDerWaalsContact N-OE1 3.16Å; E275-Q278 WeakPolarHBondContact O-CA 3.46Å; E275-Q278 WeakPolarHBondContact O-CB 3.43Å; E275-Q278 PolarHBondContact O-N 2.92Å; I276-Q278 VanDerWaalsContact C-N 3.32Å; I276-Q278 PolarHBondContact O-N 3.07Å; Q278-T281 PolarHBondContact O-N 2.98Å; Q278-R282 WeakPolarHBondContact O-CG 3.4Å; Q278-R282 PolarHBondContact O-N 2.8Å; Q278-R282 VanDerWaalsContact O-N 3.08Å
279	I	98.3	Very high	95.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-55.7	173.2	-69.7	165.3	0	0	0	109.1	V266 L267 L274 E275 I276 T281 R282 V283	V266-I279 HydrophobicContact CG1-CB 4.34Å; V266-I279 HydrophobicContact CG1-CG2 3.87Å; L267-I279 HydrophobicContact CD2-CD1 4.08Å; L267-I279 HydrophobicContact CD2-CG2 3.66Å; L267-I279 HydrophobicContact CG-CG2 4.22Å; L274-I279 HydrophobicContact CB-CD1 4.24Å; L274-I279 HydrophobicContact CB-CG1 3.72Å; L274-I279 HydrophobicContact CD1-CG1 4.43Å; E275-I279 WeakPolarHBondContact O-CG1 3.33Å; E275-I279 PolarHBondContact O-N 3Å; I276-I279 WeakPolarHBondContact O-CB 3.41Å; I276-I279 PolarHBondContact O-N 2.96Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 3.49Å; I279-R282 WeakPolarHBondContact O-CA 3.31Å; I279-R282 WeakPolarHBondContact O-CB 3.38Å; I279-R282 PolarHBondContact O-N 2.84Å; I279-V283 WeakPolarHBondContact O-CG2 3.49Å; I279-V283 PolarHBondContact O-N 3.27Å
280	L	98.1	Very high	94.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-30.1	-176.7	-65.9	173.4	0	0	0	112.9	F197 L238 A240 L263 I276 M277 V283 N284 V309	F197-L280 HydrophobicContact CE1-CD2 4.23Å; L238-L280 HydrophobicContact CD1-CD1 4.03Å; L238-L280 HydrophobicContact CD2-CD1 3.73Å; L238-L280 HydrophobicContact CG-CD1 4.43Å; A240-L280 HydrophobicContact CB-CD1 4.09Å; A240-L280 HydrophobicContact CB-CD2 3.93Å; L263-L280 HydrophobicContact CD1-CD2 4.1Å; I276-L280 HydrophobicContact CD1-CD1 4.24Å; I276-L280 HydrophobicContact CD1-CG 4.19Å; I276-L280 HydrophobicContact CG1-CD1 3.96Å; I276-L280 HydrophobicContact CG1-CG 4.32Å; I276-L280 WeakPolarHBondContact O-CB 3.28Å; I276-L280 VanDerWaalsContact O-CG 3.3Å; I276-L280 WeakPolarHBondContact O-CG 3.31Å; I276-L280 PolarHBondContact O-N 2.92Å; M277-L280 PolarHBondContact O-N 3.44Å; L280-V283 WeakPolarHBondContact O-CB 3.32Å; L280-V283 PolarHBondContact O-N 2.88Å; L280-N284 PolarHBondContact O-N 2.81Å; L280-N284 PolarHBondContact O-OD1 3.01Å; L280-V309 HydrophobicContact CB-CG2 3.78Å; L280-V309 HydrophobicContact CD1-CG1 3.82Å; L280-V309 HydrophobicContact CD1-CG2 4.07Å; L280-V309 HydrophobicContact CG-CG2 4.44Å
281	T	97.9	Very high	94.3	Very high	86 Å²	86	49.1 Å²	49.1	53%	0.528	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-38.8	172	-58.6	0	0	0	0	111.6	M277 Q278 I279 V283 N284 Y285	M277-T281 VanDerWaalsContact O-CB 3.28Å; M277-T281 WeakPolarHBondContact O-CB 3.49Å; M277-T281 PolarHBondContact O-N 3.33Å; M277-T281 PolarHBondContact O-OG1 2.79Å; Q278-T281 PolarHBondContact O-N 2.98Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 3.49Å; T281-V283 VanDerWaalsContact C-N 3.35Å; T281-N284 WeakPolarHBondContact O-CB 3.28Å; T281-N284 PolarHBondContact O-N 3.22Å; T281-Y285 PolarHBondContact O-N 3.41Å
282	R	98.3	Very high	93.9	Very high	90 Å²	90	54.3 Å²	54.3	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-68.5	-35	173.2	-71.1	179.7	-178.9	-158	-1.5	112.1	V266 F270 L274 Q278 I279 Y285 M286	V266-R282 HydrophobicContact CG1-CB 3.85Å; V266-R282 HydrophobicContact CG2-CB 4.09Å; F270-R282 VanDerWaalsContact CD2-NH1 3.34Å; L274-R282 VanDerWaalsContact CD1-CZ 3.43Å; Q278-R282 WeakPolarHBondContact O-CG 3.4Å; Q278-R282 PolarHBondContact O-N 2.8Å; Q278-R282 VanDerWaalsContact O-N 3.08Å; I279-R282 WeakPolarHBondContact O-CA 3.31Å; I279-R282 WeakPolarHBondContact O-CB 3.38Å; I279-R282 PolarHBondContact O-N 2.84Å; R282-Y285 PolarHBondContact O-N 3.47Å; R282-M286 WeakPolarHBondContact O-CB 3.3Å; R282-M286 PolarHBondContact O-N 2.9Å
283	V	97.7	Very high	93.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-46.8	171.3	176	0	0	0	0	110.2	F259 A262 L263 V266 I279 L280 T281 Y285 M286 V287	F259-V283 HydrophobicContact CD2-CG1 3.83Å; F259-V283 HydrophobicContact CE2-CG1 3.82Å; A262-V283 HydrophobicContact CB-CG1 4.03Å; L263-V283 HydrophobicContact CB-CG1 4.41Å; L263-V283 HydrophobicContact CB-CG2 4.34Å; L263-V283 HydrophobicContact CD1-CG2 3.98Å; V266-V283 HydrophobicContact CB-CG2 3.94Å; V266-V283 HydrophobicContact CG1-CG2 4.38Å; V266-V283 HydrophobicContact CG2-CG2 3.94Å; I279-V283 WeakPolarHBondContact O-CG2 3.49Å; I279-V283 PolarHBondContact O-N 3.27Å; L280-V283 WeakPolarHBondContact O-CB 3.32Å; L280-V283 PolarHBondContact O-N 2.88Å; T281-V283 VanDerWaalsContact C-N 3.35Å; V283-Y285 VanDerWaalsContact C-N 3.33Å; V283-Y285 PolarHBondContact O-N 3.44Å; V283-M286 PolarHBondContact O-N 3.49Å; V283-V287 HydrophobicContact CG1-CG2 4.25Å; V283-V287 WeakPolarHBondContact O-CG2 3.2Å; V283-V287 PolarHBondContact O-N 3.38Å
284	N	95.2	Very high	93.2	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-55	-49.4	175.1	-75.6	0.7	0	0	0	111.8	L280 T281 M286 V287 A288 I306 P307	L280-N284 PolarHBondContact O-N 2.81Å; L280-N284 PolarHBondContact O-OD1 3.01Å; T281-N284 WeakPolarHBondContact O-CB 3.28Å; T281-N284 PolarHBondContact O-N 3.22Å; N284-M286 PolarHBondContact O-N 3.03Å; N284-V287 PolarHBondContact O-N 3.02Å; N284-A288 WeakPolarHBondContact O-CB 3.05Å; N284-A288 PolarHBondContact O-N 3.04Å; N284-I306 HydrophobicContact CB-CD1 4.01Å; N284-P307 WeakPolarHBondContact OD1-CB 3.29Å
285	Y	95	Very high	92.6	Very high	164 Å²	164	49.6 Å²	49.6	64%	0.643	25%	0.246	S	C	*	.	H	α-helix	trans	-58.7	-47.4	177.8	176.2	-97.7	0	0	0	111.9	T281 R282 V283 A288 T289	T281-Y285 PolarHBondContact O-N 3.41Å; R282-Y285 PolarHBondContact O-N 3.47Å; V283-Y285 VanDerWaalsContact C-N 3.33Å; V283-Y285 PolarHBondContact O-N 3.44Å; Y285-A288 PolarHBondContact O-N 3.11Å; Y285-T289 HydrophobicContact CD2-CG2 4Å; Y285-T289 HydrophobicContact CE1-CG2 4.5Å; Y285-T289 HydrophobicContact CE2-CG2 3.68Å; Y285-T289 WeakPolarHBondContact O-CB 3.42Å; Y285-T289 WeakPolarHBondContact O-CG2 3.18Å; Y285-T289 PolarHBondContact O-N 3.35Å; Y285-T289 PolarHBondContact O-OG1 3.04Å
286	M	95.9	Very high	91.9	Very high	43 Å²	43	56.4 Å²	56.4	21%	0.212	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-44.7	-178.2	-169.8	-179.5	-63	0	0	111.7	A262 N265 V266 R282 V283 N284 A288 T289 S290 F291	A262-M286 HydrophobicContact CB-CB 4.07Å; A262-M286 HydrophobicContact CB-CG 4.03Å; A262-M286 HydrophobicContact CB-SD 3.76Å; N265-M286 HydrophobicContact CB-CE 4.24Å; N265-M286 HydrophobicContact CB-SD 4.09Å; V266-M286 HydrophobicContact CG2-CE 3.56Å; V266-M286 HydrophobicContact CG2-SD 4.47Å; R282-M286 WeakPolarHBondContact O-CB 3.3Å; R282-M286 PolarHBondContact O-N 2.9Å; V283-M286 PolarHBondContact O-N 3.49Å; N284-M286 PolarHBondContact O-N 3.03Å; M286-A288 PolarHBondContact O-N 3.47Å; M286-T289 PolarHBondContact O-N 3.21Å; M286-S290 WeakPolarHBondContact O-CB 3.14Å; M286-S290 PolarHBondContact O-N 3.39Å; M286-S290 PolarHBondContact O-OG 2.91Å; M286-F291 HydrophobicContact CG-CE2 4.4Å
287	V	89.5	Confident	91.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177.2	177.4	0	0	0	0	110.9	A262 V283 N284 T289 Q305 P307	A262-V287 HydrophobicContact CB-CG2 3.56Å; V283-V287 HydrophobicContact CG1-CG2 4.25Å; V283-V287 WeakPolarHBondContact O-CG2 3.2Å; V283-V287 PolarHBondContact O-N 3.38Å; N284-V287 PolarHBondContact O-N 3.02Å; V287-T289 PolarHBondContact O-N 3Å; V287-Q305 HydrophobicContact CG1-CB 3.96Å; V287-Q305 HydrophobicContact CG1-CG 4Å; V287-P307 HydrophobicContact CB-CG 3.79Å; V287-P307 HydrophobicContact CG1-CG 3.95Å; V287-P307 HydrophobicContact CG2-CG 3.74Å
288	A	85.6	Confident	90.4	Very high	34 Å²	34	59.2 Å²	59.2	28%	0.281	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-35.3	-178.1	0	0	0	0	0	113.5	N284 Y285 M286 K304 I306	N284-A288 WeakPolarHBondContact O-CB 3.05Å; N284-A288 PolarHBondContact O-N 3.04Å; Y285-A288 PolarHBondContact O-N 3.11Å; M286-A288 PolarHBondContact O-N 3.47Å; A288-K304 WeakPolarHBondContact O-CE 3.34Å; A288-K304 PolarHBondContact O-NZ 3.42Å; A288-I306 HydrophobicContact CB-CD1 4.09Å
289	T	85.9	Confident	89.6	Confident	71 Å²	71	59.6 Å²	59.6	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-100.5	-30.2	-170.3	58.2	0	0	0	0	114.4	Y285 M286 V287	Y285-T289 HydrophobicContact CD2-CG2 4Å; Y285-T289 HydrophobicContact CE1-CG2 4.5Å; Y285-T289 HydrophobicContact CE2-CG2 3.68Å; Y285-T289 WeakPolarHBondContact O-CB 3.42Å; Y285-T289 WeakPolarHBondContact O-CG2 3.18Å; Y285-T289 PolarHBondContact O-N 3.35Å; Y285-T289 PolarHBondContact O-OG1 3.04Å; M286-T289 PolarHBondContact O-N 3.21Å; V287-T289 PolarHBondContact O-N 3Å
290	S	88.8	Confident	88.7	Confident	83 Å²	83	60.7 Å²	60.7	58%	0.58	30%	0.302	S	S	*	.	H	α-helix	trans	-99.1	-8.7	-172	-53.4	0	0	0	0	113.8	M286	M286-S290 WeakPolarHBondContact O-CB 3.14Å; M286-S290 PolarHBondContact O-N 3.39Å; M286-S290 PolarHBondContact O-OG 2.91Å
291	F	84.4	Confident	88	Confident	29 Å²	29	61.6 Å²	61.6	13%	0.127	31%	0.308	C	S	.	.			trans	-125.5	141	-176.3	-59.1	-93.6	0	0	0	111.8	W258 Q261 A262 M286 K304	W258-F291 HydrophobicContact CB-CB 4.29Å; W258-F291 HydrophobicContact CB-CD1 3.64Å; W258-F291 HydrophobicContact CB-CD2 4.14Å; W258-F291 HydrophobicContact CB-CE1 3.88Å; W258-F291 HydrophobicContact CB-CE2 4.35Å; W258-F291 HydrophobicContact CB-CG 3.76Å; W258-F291 HydrophobicContact CB-CZ 4.22Å; W258-F291 AromaticContact CD1-CD1 3.29Å; W258-F291 AromaticContact CD1-CE1 3.76Å; W258-F291 HydrophobicContact CD2-CB 3.45Å; W258-F291 VanDerWaalsContact CD2-CB 3.45Å; W258-F291 AromaticContact CD2-CD1 3.8Å; W258-F291 HydrophobicContact CD2-CD1 3.8Å; W258-F291 AromaticContact CD2-CG 3.82Å; W258-F291 HydrophobicContact CD2-CG 3.82Å; W258-F291 HydrophobicContact CE3-CB 3.47Å; W258-F291 VanDerWaalsContact CE3-CB 3.47Å; W258-F291 HydrophobicContact CE3-CG 4.21Å; W258-F291 HydrophobicContact CG-CB 3.85Å; W258-F291 AromaticContact CG-CD1 3.28Å; W258-F291 HydrophobicContact CG-CD1 3.28Å; W258-F291 HydrophobicContact CG-CD2 4.47Å; W258-F291 AromaticContact CG-CE1 3.88Å; W258-F291 HydrophobicContact CG-CE1 3.88Å; W258-F291 AromaticContact CG-CG 3.62Å; W258-F291 HydrophobicContact CG-CG 3.62Å; W258-F291 HydrophobicContact CH2-CB 4.37Å; W258-F291 HydrophobicContact CZ2-CB 4.33Å; W258-F291 HydrophobicContact CZ3-CB 3.96Å; W258-F291 AromaticContact NE1-CD1 3.78Å; Q261-F291 HydrophobicContact CB-CZ 4.11Å; A262-F291 HydrophobicContact CB-CE2 4.32Å; M286-F291 HydrophobicContact CG-CE2 4.4Å; F291-K304 WeakPolarHBondContact O-CE 3.11Å; F291-K304 PolarHBondContact O-NZ 2.78Å
292	E	87.9	Confident	87.4	Confident	111 Å²	111	64 Å²	64	52%	0.519	31%	0.314	S	S	.	.			trans	-153	134	174.3	-179.5	173.8	102	0	0	106.2	K304	E292-K304 HydrophobicContact CB-CD 4.34Å; E292-K304 HydrophobicContact CG-CD 4.27Å
293	S	84.1	Confident	86.7	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.014	30%	0.3	C	S	.	.			trans	-72.9	144.4	-173.8	49.5	0	0	0	0	111.3	W258 F300 E302 K303	W258-S293 VanDerWaalsContact CH2-N 3.26Å; S293-F300 WeakPolarHBondContact CB-O 3.3Å; S293-F300 PolarHBondContact OG-O 2.72Å; S293-E302 PolarHBondContact O-N 3.39Å; S293-K303 PolarHBondContact N-O 3.43Å; S293-K303 VanDerWaalsContact OG-CA 3.29Å; S293-K303 WeakPolarHBondContact OG-CA 3.37Å; S293-K303 WeakPolarHBondContact OG-CB 3.4Å; S293-K303 PolarHBondContact OG-N 2.61Å; S293-K303 PolarHBondContact OG-O 3.02Å
294	W	87.1	Confident	86.3	Confident	129 Å²	129	62.5 Å²	62.5	49%	0.489	31%	0.31	S	S	.	.			trans	-123.2	128.4	169.1	-176.7	82.4	0	0	0	109.5	M29 E30 D31 E296	M29-W294 HydrophobicContact CB-CE3 4.17Å; M29-W294 HydrophobicContact CB-CZ3 4.16Å; E30-W294 HydrophobicContact CB-CE3 4.25Å; E30-W294 HydrophobicContact CB-CZ3 4.05Å; D31-W294 PolarHBondContact N-O 3.16Å; D31-W294 VanDerWaalsContact N-O 3.09Å; W294-E296 HydrophobicContact CH2-CG 4.28Å
295	S	84	Confident	85.7	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.084	30%	0.301	C	S	.	.			trans	-148.3	150.4	175.5	176.6	0	0	0	0	109.9	E30 D297 S301	E30-S295 WeakPolarHBondContact OE1-CA 3.38Å; E30-S295 WeakPolarHBondContact OE1-CB 3.13Å; E30-S295 PolarHBondContact OE1-OG 3.42Å; S295-D297 PolarHBondContact O-N 2.91Å; S295-D297 PolarHBondContact OG-N 3.09Å; S295-D297 VanDerWaalsContact OG-N 3.16Å; S295-S301 WeakPolarHBondContact O-CB 3.36Å
296	E	82.2	Confident	85.5	Confident	162 Å²	162	55.8 Å²	55.8	76%	0.757	28%	0.284	S	S	*	.	S	Bend	trans	-66.5	-26.5	171.3	-66.1	-167	164.8	0	0	111.9	E30 W294 P298	E30-E296 PolarHBondContact OE1-N 3.23Å; W294-E296 HydrophobicContact CH2-CG 4.28Å; E296-P298 VanDerWaalsContact O-CD 3.3Å; E296-P298 WeakPolarHBondContact O-CD 3.37Å
297	D	82.8	Confident	85.3	Confident	45 Å²	45	54 Å²	54	24%	0.241	28%	0.276	C	S	.	.	S	Bend	trans	-80.7	114.9	172	-172.8	-23.2	0	0	0	109.4	S295 R299 F300 S301	S295-D297 PolarHBondContact O-N 2.91Å; S295-D297 PolarHBondContact OG-N 3.09Å; S295-D297 VanDerWaalsContact OG-N 3.16Å; D297-R299 PolarHBondContact O-N 2.88Å; D297-R299 VanDerWaalsContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CB 3.43Å; D297-R299 VanDerWaalsContact OD1-CG 3.3Å; D297-R299 WeakPolarHBondContact OD1-CG 3.49Å; D297-R299 PolarHBondContact OD1-N 3.19Å; D297-R299 IonicContact OD1-NE 2.68Å; D297-R299 PolarHBondContact OD1-NE 2.65Å; D297-R299 IonicContact OD2-CZ 3.06Å; D297-R299 IonicContact OD2-NE 2.65Å; D297-R299 PolarHBondContact OD2-NE 2.99Å; D297-R299 IonicContact OD2-NH2 2.7Å; D297-R299 PolarHBondContact OD2-NH2 3.48Å; D297-F300 HydrophobicContact CB-CD2 3.81Å; D297-F300 PolarHBondContact O-N 2.96Å; D297-S301 PolarHBondContact O-N 3Å
298	P	82.1	Confident	85.4	Confident	77 Å²	77	55.3 Å²	55.3	50%	0.5	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.6	-178.7	-23.7	34.7	0	0	0	113.7	F43 E296 F300	F43-P298 HydrophobicContact CE1-CB 4.35Å; F43-P298 HydrophobicContact CE2-CB 4.43Å; F43-P298 HydrophobicContact CZ-CB 3.83Å; E296-P298 VanDerWaalsContact O-CD 3.3Å; E296-P298 WeakPolarHBondContact O-CD 3.37Å; P298-F300 PolarHBondContact O-N 2.82Å
299	R	80.2	Confident	85.8	Confident	75 Å²	75	55.5 Å²	55.5	28%	0.283	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22	176.4	-62.7	177.9	-67.7	167.1	2	112.5	F43 D297 K303	F43-R299 HydrophobicContact CE2-CB 4.49Å; F43-R299 HydrophobicContact CE2-CG 3.32Å; F43-R299 HydrophobicContact CZ-CB 4.22Å; F43-R299 HydrophobicContact CZ-CG 3.48Å; F43-R299 VanDerWaalsContact CZ-CG 3.48Å; D297-R299 PolarHBondContact O-N 2.88Å; D297-R299 VanDerWaalsContact OD1-CB 3.27Å; D297-R299 WeakPolarHBondContact OD1-CB 3.43Å; D297-R299 VanDerWaalsContact OD1-CG 3.3Å; D297-R299 WeakPolarHBondContact OD1-CG 3.49Å; D297-R299 PolarHBondContact OD1-N 3.19Å; D297-R299 IonicContact OD1-NE 2.68Å; D297-R299 PolarHBondContact OD1-NE 2.65Å; D297-R299 IonicContact OD2-CZ 3.06Å; D297-R299 IonicContact OD2-NE 2.65Å; D297-R299 PolarHBondContact OD2-NE 2.99Å; D297-R299 IonicContact OD2-NH2 2.7Å; D297-R299 PolarHBondContact OD2-NH2 3.48Å; R299-K303 WeakPolarHBondContact O-CE 3.02Å
300	F	79.9	Confident	86.1	Confident	23 Å²	23	54.4 Å²	54.4	10%	0.101	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-1.3	-175	-63.1	-92.8	0	0	0	112.2	V33 P37 F206 W250 S293 D297 P298	V33-F300 HydrophobicContact CG2-CE1 4.39Å; P37-F300 HydrophobicContact CB-CE1 3.85Å; P37-F300 HydrophobicContact CB-CE2 4.5Å; P37-F300 HydrophobicContact CB-CZ 3.43Å; P37-F300 VanDerWaalsContact CB-CZ 3.43Å; P37-F300 HydrophobicContact CG-CZ 4.49Å; F206-F300 AromaticContact CE1-CD1 3.6Å; F206-F300 HydrophobicContact CE1-CD1 3.6Å; F206-F300 AromaticContact CE1-CE1 3.68Å; F206-F300 HydrophobicContact CE1-CE1 3.68Å; F206-F300 HydrophobicContact CE1-CG 4.48Å; F206-F300 AromaticContact CZ-CD1 3.68Å; F206-F300 HydrophobicContact CZ-CD1 3.68Å; F206-F300 AromaticContact CZ-CE1 3.31Å; F206-F300 HydrophobicContact CZ-CE1 3.31Å; F206-F300 HydrophobicContact CZ-CG 4.49Å; F206-F300 AromaticContact CZ-CZ 3.83Å; F206-F300 HydrophobicContact CZ-CZ 3.83Å; W250-F300 HydrophobicContact CH2-CB 3.9Å; W250-F300 HydrophobicContact CH2-CD1 4.09Å; W250-F300 WeakPolarHBondContact CH2-O 3.17Å; W250-F300 HydrophobicContact CZ3-CB 4.39Å; S293-F300 WeakPolarHBondContact CB-O 3.3Å; S293-F300 PolarHBondContact OG-O 2.72Å; D297-F300 HydrophobicContact CB-CD2 3.81Å; D297-F300 PolarHBondContact O-N 2.96Å; P298-F300 PolarHBondContact O-N 2.82Å
301	S	83.8	Confident	86.4	Confident	20 Å²	20	52.9 Å²	52.9	14%	0.14	26%	0.264	C	S	.	.	S	Bend	trans	-92.5	154.7	174.8	-162.2	0	0	0	0	111.4	S295 D297 K303	S295-S301 WeakPolarHBondContact O-CB 3.36Å; D297-S301 PolarHBondContact O-N 3Å; S301-K303 WeakPolarHBondContact O-CE 3.48Å; S301-K303 PolarHBondContact O-N 2.92Å
302	E	85.8	Confident	86.9	Confident	137 Å²	137	55.6 Å²	55.6	64%	0.64	28%	0.278	S	S	*	.	S	Bend	trans	61.9	20.9	175.8	-56	179.5	176.3	0	0	114.2	S293	S293-E302 PolarHBondContact O-N 3.39Å
303	K	83.7	Confident	87.3	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.048	26%	0.26	C	S	.	.			trans	-86.6	152.5	176.3	-46.1	-56.6	176.1	-177.4	0	112.2	F206 E208 W250 S293 R299 S301	F206-K303 HydrophobicContact CB-CD 4.26Å; F206-K303 HydrophobicContact CD1-CG 4.18Å; E208-K303 IonicContact OE1-NZ 2.7Å; E208-K303 PolarHBondContact OE1-NZ 2.67Å; E208-K303 IonicContact OE2-NZ 3.78Å; E208-K303 PolarHBondContact OE2-NZ 3.01Å; W250-K303 HydrophobicContact CH2-CB 4.41Å; W250-K303 HydrophobicContact CH2-CG 4.27Å; W250-K303 HydrophobicContact CZ2-CB 3.54Å; W250-K303 HydrophobicContact CZ2-CG 3.73Å; S293-K303 PolarHBondContact N-O 3.43Å; S293-K303 VanDerWaalsContact OG-CA 3.29Å; S293-K303 WeakPolarHBondContact OG-CA 3.37Å; S293-K303 WeakPolarHBondContact OG-CB 3.4Å; S293-K303 PolarHBondContact OG-N 2.61Å; S293-K303 PolarHBondContact OG-O 3.02Å; R299-K303 WeakPolarHBondContact O-CE 3.02Å; S301-K303 WeakPolarHBondContact O-CE 3.48Å; S301-K303 PolarHBondContact O-N 2.92Å
304	K	87.8	Confident	87.7	Confident	47 Å²	47	55.5 Å²	55.5	20%	0.204	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-108.9	174.6	-179	-56.6	-61.4	-67.6	-179.2	0	111.3	D207 A288 F291 E292	D207-K304 PolarHBondContact O-N 3.4Å; A288-K304 WeakPolarHBondContact O-CE 3.34Å; A288-K304 PolarHBondContact O-NZ 3.42Å; F291-K304 WeakPolarHBondContact O-CE 3.11Å; F291-K304 PolarHBondContact O-NZ 2.78Å; E292-K304 HydrophobicContact CB-CD 4.34Å; E292-K304 HydrophobicContact CG-CD 4.27Å
305	Q	84.3	Confident	88.2	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.014	28%	0.28	C	S	.	.			trans	-148.6	142.6	174.7	-175.4	176.1	-45.9	0	0	109.6	S242 S249 W258 V287	S242-Q305 PolarHBondContact O-NE2 2.95Å; S249-Q305 PolarHBondContact OG-NE2 2.86Å; W258-Q305 HydrophobicContact CE3-CB 3.75Å; W258-Q305 HydrophobicContact CZ3-CB 3.74Å; V287-Q305 HydrophobicContact CG1-CB 3.96Å; V287-Q305 HydrophobicContact CG1-CG 4Å
306	I	90.8	Very high	88.8	Confident	58 Å²	58	56.1 Å²	56.1	30%	0.297	29%	0.29	S	S	.	.			trans	-130.8	123.4	169.1	-175.9	67.6	0	0	0	109.5	T243 V244 N284 A288	T243-I306 WeakPolarHBondContact CA-O 3.35Å; V244-I306 HydrophobicContact CG1-CG2 4.03Å; V244-I306 HydrophobicContact CG2-CG2 4.17Å; V244-I306 PolarHBondContact N-O 2.9Å; N284-I306 HydrophobicContact CB-CD1 4.01Å; A288-I306 HydrophobicContact CB-CD1 4.09Å
307	P	91.6	Very high	89.6	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.032	25%	0.254	C	S	.	.			trans	-70.1	162.9	174.1	-12.9	27.5	0	0	0	112.5	Y241 S242 F259 N284 V287	Y241-P307 WeakPolarHBondContact O-CA 3.28Å; Y241-P307 VanDerWaalsContact O-CB 3.27Å; Y241-P307 WeakPolarHBondContact O-CB 3.23Å; S242-P307 WeakPolarHBondContact O-CA 3.16Å; F259-P307 HydrophobicContact CD2-CB 3.9Å; F259-P307 HydrophobicContact CD2-CG 3.88Å; F259-P307 HydrophobicContact CE2-CB 4.08Å; F259-P307 HydrophobicContact CE2-CG 4.44Å; N284-P307 WeakPolarHBondContact OD1-CB 3.29Å; V287-P307 HydrophobicContact CB-CG 3.79Å; V287-P307 HydrophobicContact CG1-CG 3.95Å; V287-P307 HydrophobicContact CG2-CG 3.74Å
308	C	90.1	Very high	90.2	Very high	27 Å²	27	47 Å²	47	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.6	-176.5	179.1	0	0	0	0	110.8	Y241 V244	Y241-C308 PolarHBondContact N-O 3.06Å; Y241-C308 PolarHBondContact O-N 3.44Å; V244-C308 HydrophobicContact CG1-CB 3.93Å
309	V	93.9	Very high	90.8	Very high	38 Å²	38	43.6 Å²	43.6	23%	0.23	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	178.2	-174.1	0	0	0	0	109.3	F239 M277 L280	F239-V309 WeakPolarHBondContact O-CA 3.17Å; M277-V309 HydrophobicContact CE-CB 4.44Å; M277-V309 HydrophobicContact CE-CG1 3.74Å; M277-V309 HydrophobicContact SD-CG1 3.86Å; L280-V309 HydrophobicContact CB-CG2 3.78Å; L280-V309 HydrophobicContact CD1-CG1 3.82Å; L280-V309 HydrophobicContact CD1-CG2 4.07Å; L280-V309 HydrophobicContact CG-CG2 4.44Å
310	V	92.9	Very high	90.7	Very high	48 Å²	48	46.5 Å²	46.5	29%	0.291	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.4	173.7	-175	0	0	0	0	107.7	F239 Y241 M312	F239-V310 HydrophobicContact CB-CB 4.34Å; F239-V310 HydrophobicContact CD2-CB 4.49Å; F239-V310 PolarHBondContact N-O 3.1Å; F239-V310 PolarHBondContact O-N 3Å; Y241-V310 HydrophobicContact CD2-CG2 4.47Å; Y241-V310 HydrophobicContact CE2-CG2 4.27Å; V310-M312 HydrophobicContact CG1-CE 3.5Å; V310-M312 VanDerWaalsContact CG1-CE 3.5Å; V310-M312 HydrophobicContact CG1-SD 3.83Å
311	S	95.1	Very high	91.2	Very high	51 Å²	51	47.7 Å²	47.7	36%	0.357	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128	-176.2	-174.2	0	0	0	0	111.4	L313	S311-L313 WeakPolarHBondContact OG-CB 3.48Å; S311-L313 PolarHBondContact OG-N 3.22Å
312	M	94.8	Very high	91.6	Very high	86 Å²	86	49.2 Å²	49.2	42%	0.424	26%	0.257	S	S	.	.			trans	-116.3	18.7	163.6	-65.2	79.7	-177.2	0	0	110.1	D236 F237 F239 V310	D236-M312 WeakPolarHBondContact CA-O 3.11Å; D236-M312 PolarHBondContact N-O 3.29Å; F237-M312 CarbonylContact O-C 3.56Å; F237-M312 WeakPolarHBondContact O-CA 3.22Å; F237-M312 PolarHBondContact O-N 2.71Å; F239-M312 HydrophobicContact CD2-SD 4.47Å; F239-M312 HydrophobicContact CE2-SD 4.38Å; V310-M312 HydrophobicContact CG1-CE 3.5Å; V310-M312 VanDerWaalsContact CG1-CE 3.5Å; V310-M312 HydrophobicContact CG1-SD 3.83Å
313	L	95.9	Very high	92	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.141	24%	0.236	C	C	.	.			trans	-62.2	143.3	171.3	-61.8	-173.7	0	0	0	109.7	Y75 P193 F237 L238 I276 S311 L317	Y75-L313 HydrophobicContact CE2-CB 4.18Å; Y75-L313 HydrophobicContact CE2-CD2 4.08Å; Y75-L313 HydrophobicContact CE2-CG 4.49Å; P193-L313 HydrophobicContact CB-CD2 4.16Å; F237-L313 PolarHBondContact O-N 3.41Å; L238-L313 HydrophobicContact CB-CD1 4.21Å; L238-L313 HydrophobicContact CB-CD2 4.11Å; L238-L313 HydrophobicContact CB-CG 4.02Å; L238-L313 HydrophobicContact CD1-CD1 3.58Å; L238-L313 HydrophobicContact CD1-CG 4.14Å; I276-L313 HydrophobicContact CG2-CD1 3.76Å; S311-L313 WeakPolarHBondContact OG-CB 3.48Å; S311-L313 PolarHBondContact OG-N 3.22Å; L313-L317 HydrophobicContact CD1-CB 4.44Å
314	T	94.1	Very high	92.5	Very high	85 Å²	85	46.2 Å²	46.2	52%	0.521	25%	0.247	S	C	.	.	S	Bend	trans	-106.5	-2.9	-179.5	59.8	0	0	0	0	112.6	Y75 A235 D236	Y75-T314 PolarHBondContact OH-N 3.49Å; Y75-T314 PolarHBondContact OH-OG1 3.45Å; A235-T314 HydrophobicContact CB-CG2 4.37Å; D236-T314 PolarHBondContact OD1-OG1 2.85Å
315	K	95.9	Very high	92.7	Very high	88 Å²	88	46.2 Å²	46.2	38%	0.383	25%	0.25	S	C	.	.	S	Bend	trans	-150.5	160.1	-176.6	-62.3	-169.6	-174.9	-169	0	110.7	F73 Q74 Y75	F73-K315 CarbonylContact O-C 3.51Å; F73-K315 WeakPolarHBondContact O-CA 3.35Å; F73-K315 VanDerWaalsContact O-CB 3.27Å; F73-K315 WeakPolarHBondContact O-CB 3.39Å; Q74-K315 VanDerWaalsContact O-CD 3.27Å; Q74-K315 WeakPolarHBondContact O-CD 3.4Å; Y75-K315 HydrophobicContact CD1-CB 4.28Å; Y75-K315 HydrophobicContact CD1-CD 4.36Å; Y75-K315 HydrophobicContact CD2-CB 3.62Å; Y75-K315 HydrophobicContact CE1-CB 4.29Å; Y75-K315 HydrophobicContact CE2-CB 3.65Å; Y75-K315 WeakPolarHBondContact CE2-O 3.48Å; Y75-K315 HydrophobicContact CG-CB 3.97Å
316	E	97.8	Very high	93.3	Very high	65 Å²	65	49.1 Å²	49.1	30%	0.304	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-63.8	135.2	169	-64.2	171.2	-177	0	0	110.4	F73 Q74 Y75 E275 Y318	F73-E316 WeakPolarHBondContact O-CB 3.32Å; F73-E316 PolarHBondContact O-N 3.21Å; Q74-E316 WeakPolarHBondContact CA-O 2.95Å; Q74-E316 HydrophobicContact CG-CB 4.08Å; Q74-E316 PolarHBondContact NE2-OE2 3.22Å; Y75-E316 PolarHBondContact N-O 2.7Å; E275-E316 HydrophobicContact CG-CB 3.79Å; E275-E316 HydrophobicContact CG-CG 4.18Å; E275-E316 WeakPolarHBondContact OE1-CA 3.5Å; E316-Y318 HydrophobicContact CB-CD2 4.39Å; E316-Y318 HydrophobicContact CB-CE2 3.91Å
317	L	97.8	Very high	93.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.263	C	S	.	.			trans	-114.6	124.1	177.7	175.1	60.5	0	0	0	111	Y75 M77 P193 L195 E275 I276 L313 F319	Y75-L317 HydrophobicContact CD2-CB 4.09Å; M77-L317 HydrophobicContact CE-CD1 3.8Å; M77-L317 HydrophobicContact CG-CD1 4.11Å; M77-L317 HydrophobicContact SD-CD1 3.45Å; M77-L317 WeakPolarHBondContact SD-CD1 3.49Å; P193-L317 HydrophobicContact CB-CD2 3.95Å; P193-L317 HydrophobicContact CG-CD1 3.91Å; P193-L317 HydrophobicContact CG-CD2 4.1Å; L195-L317 HydrophobicContact CD1-CD2 3.89Å; L195-L317 HydrophobicContact CD2-CD2 3.78Å; L195-L317 HydrophobicContact CG-CD2 4.38Å; E275-L317 CarbonylContact C-O 3.57Å; E275-L317 WeakPolarHBondContact CA-O 3.3Å; E275-L317 PolarHBondContact OE1-N 2.86Å; I276-L317 HydrophobicContact CB-CB 4.25Å; I276-L317 HydrophobicContact CB-CD2 4.27Å; I276-L317 HydrophobicContact CB-CG 4.4Å; I276-L317 HydrophobicContact CG2-CB 3.73Å; I276-L317 HydrophobicContact CG2-CD2 4.16Å; I276-L317 HydrophobicContact CG2-CG 4.32Å; I276-L317 PolarHBondContact N-O 2.68Å; L313-L317 HydrophobicContact CD1-CB 4.44Å; L317-F319 HydrophobicContact CD1-CE1 4.33Å; L317-F319 HydrophobicContact CD2-CE1 4.05Å; L317-F319 HydrophobicContact CD2-CZ 3.86Å; L317-F319 HydrophobicContact CG-CE1 4.25Å; L317-F319 HydrophobicContact CG-CZ 4.23Å
318	Y	96.8	Very high	93.6	Very high	14 Å²	14	51.8 Å²	51.8	6%	0.055	28%	0.281	C	S	.	.			trans	-124.5	143.6	173.6	-67	-87.5	0	0	0	109.9	Q74 M77 L274 E275 E316 N320	Q74-Y318 HydrophobicContact CG-CD2 4.41Å; Q74-Y318 HydrophobicContact CG-CE2 4.34Å; M77-Y318 WeakPolarHBondContact CG-O 3.3Å; L274-Y318 WeakPolarHBondContact O-CD1 3.27Å; E275-Y318 HydrophobicContact CB-CD1 4.21Å; E275-Y318 HydrophobicContact CB-CE1 3.59Å; E275-Y318 HydrophobicContact CB-CE2 4.15Å; E275-Y318 HydrophobicContact CG-CD2 4.41Å; E275-Y318 HydrophobicContact CG-CE1 4.27Å; E275-Y318 HydrophobicContact CG-CE2 3.92Å; E275-Y318 VanDerWaalsContact N-CE1 3.27Å; E316-Y318 HydrophobicContact CB-CD2 4.39Å; E316-Y318 HydrophobicContact CB-CE2 3.91Å; Y318-N320 VanDerWaalsContact C-OD1 3.26Å; Y318-N320 WeakPolarHBondContact CB-OD1 3.36Å; Y318-N320 PolarHBondContact O-OD1 2.93Å
319	F	94.3	Very high	93.9	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.031	29%	0.289	C	S	.	.			trans	-103.1	56.4	177.3	-56	-70.7	0	0	0	111.9	M77 L119 F121 L195 I276 L317	M77-F319 HydrophobicContact CE-CD1 3.99Å; M77-F319 HydrophobicContact CE-CE1 4.4Å; L119-F319 HydrophobicContact CB-CB 4.45Å; L119-F319 HydrophobicContact CD1-CD2 4.21Å; L119-F319 HydrophobicContact CD2-CB 4.1Å; L119-F319 HydrophobicContact CD2-CD2 4.48Å; F121-F319 HydrophobicContact CE2-CD1 4.03Å; F121-F319 AromaticContact CE2-CE1 3.82Å; F121-F319 HydrophobicContact CE2-CE1 3.82Å; F121-F319 HydrophobicContact CE2-CZ 4.49Å; F121-F319 HydrophobicContact CZ-CD1 4.35Å; F121-F319 AromaticContact CZ-CE1 3.81Å; F121-F319 HydrophobicContact CZ-CE1 3.81Å; L195-F319 HydrophobicContact CD1-CE1 4.01Å; L195-F319 HydrophobicContact CD1-CZ 3.66Å; I276-F319 HydrophobicContact CD1-CE2 3.95Å; I276-F319 HydrophobicContact CD1-CZ 4.32Å; L317-F319 HydrophobicContact CD1-CE1 4.33Å; L317-F319 HydrophobicContact CD2-CE1 4.05Å; L317-F319 HydrophobicContact CD2-CZ 3.86Å; L317-F319 HydrophobicContact CG-CE1 4.25Å; L317-F319 HydrophobicContact CG-CZ 4.23Å
320	N	78.1	Confident	93.9	Very high	136 Å²	136	55.3 Å²	55.3	73%	0.727	29%	0.294	S	S	*	.			trans	-96.1	0	-174.8	41.7	-36	0	0	0	113.6	Y318	Y318-N320 VanDerWaalsContact C-OD1 3.26Å; Y318-N320 WeakPolarHBondContact CB-OD1 3.36Å; Y318-N320 PolarHBondContact O-OD1 2.93Å

Retrieved 320 of 320 residues in 113.8 ms (Link to these results)

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