A0A077ZLZ5_TRITR Loading...

Arginase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.7	Low	81.7	Confident	210 Å²	210	127.5 Å²	127.5	100%	1.034	65%	0.648	S	S	*	*				0	130.7	0	-63	-175	-150.8	0	0	107.9	F3	M1-F3 HydrophobicContact CB-CE2 4.07Å; M1-F3 HydrophobicContact CB-CZ 4.03Å; M1-F3 HydrophobicContact SD-CZ 4.17Å
2	N	64.1	Low	81.8	Confident	96 Å²	96	136.3 Å²	136.3	51%	0.513	67%	0.668	S	S	.	*			trans	-87.9	121.2	171	-175.6	-1.2	0	0	0	108.5	Q4 S8	N2-Q4 PolarHBondContact ND2-O 3.36Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.46Å; N2-Q4 PolarHBondContact OD1-N 3.1Å; N2-S8 VanDerWaalsContact ND2-CB 3.3Å; N2-S8 WeakPolarHBondContact ND2-CB 3.47Å; N2-S8 PolarHBondContact ND2-OG 2.64Å
3	F	79.9	Confident	82.2	Confident	165 Å²	165	131.9 Å²	131.9	72%	0.724	65%	0.654	S	S	*	*	S	Bend	trans	-95.9	11.5	177.1	-65.3	-75.6	0	0	0	113.1	M1 P5	M1-F3 HydrophobicContact CB-CE2 4.07Å; M1-F3 HydrophobicContact CB-CZ 4.03Å; M1-F3 HydrophobicContact SD-CZ 4.17Å; F3-P5 WeakPolarHBondContact O-CD 3.33Å
4	Q	84.1	Confident	82.5	Confident	119 Å²	119	133.6 Å²	133.6	56%	0.556	66%	0.664	S	S	*	*			trans	-116.9	76.4	175	-59.3	-60.4	-38.1	0	0	109	N2 Y6	N2-Q4 PolarHBondContact ND2-O 3.36Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.46Å; N2-Q4 PolarHBondContact OD1-N 3.1Å; Q4-Y6 VanDerWaalsContact C-N 3.3Å; Q4-Y6 PolarHBondContact O-N 3.44Å
5	P	83.3	Confident	83.1	Confident	53 Å²	53	131.9 Å²	131.9	34%	0.344	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-69.1	-27.5	-169.6	28.1	-35.4	0	0	0	113.1	F3 D7 S8 V13	F3-P5 WeakPolarHBondContact O-CD 3.33Å; P5-D7 VanDerWaalsContact C-N 3.32Å; P5-D7 PolarHBondContact O-N 3.39Å; P5-S8 PolarHBondContact O-N 3.49Å; P5-V13 HydrophobicContact CB-CG1 3.77Å; P5-V13 HydrophobicContact CB-CG2 4.46Å
6	Y	86.6	Confident	83.6	Confident	215 Å²	215	125.3 Å²	125.3	84%	0.843	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-72.2	-26.1	-175.6	-61	-71.9	0	0	0	113.5	Q4	Q4-Y6 VanDerWaalsContact C-N 3.3Å; Q4-Y6 PolarHBondContact O-N 3.44Å
7	D	88	Confident	84.3	Confident	140 Å²	140	124.2 Å²	124.2	75%	0.749	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-102.8	4.2	-179.4	-55.6	-43.5	0	0	0	112.1	P5	P5-D7 VanDerWaalsContact C-N 3.32Å; P5-D7 PolarHBondContact O-N 3.39Å
8	S	85.2	Confident	84.8	Confident	35 Å²	35	122.5 Å²	122.5	25%	0.245	64%	0.638	C	S	.	*			trans	-88.5	142.8	-177.2	-156.8	0	0	0	0	111.4	N2 P5 A10	N2-S8 VanDerWaalsContact ND2-CB 3.3Å; N2-S8 WeakPolarHBondContact ND2-CB 3.47Å; N2-S8 PolarHBondContact ND2-OG 2.64Å; P5-S8 PolarHBondContact O-N 3.49Å; S8-A10 PolarHBondContact O-N 2.86Å
9	D	88.9	Confident	85.3	Confident	160 Å²	160	122.6 Å²	122.6	86%	0.856	63%	0.633	S	S	*	*			trans	-82	16.2	168.2	63.2	-20	0	0	0	113.3
10	A	84.6	Confident	85.6	Confident	51 Å²	51	116.9 Å²	116.9	42%	0.421	60%	0.604	S	S	.	*			trans	-74.3	134	-173.3	0	0	0	0	0	111.9	S8 W12	S8-A10 PolarHBondContact O-N 2.86Å; A10-W12 VanDerWaalsContact C-N 3.26Å; A10-W12 PolarHBondContact O-N 2.94Å
11	D	87.3	Confident	86	Confident	158 Å²	158	118 Å²	118	85%	0.845	61%	0.608	S	S	*	*	S	Bend	trans	-66.7	-27.2	175.1	-61.7	-57.2	0	0	0	113.1
12	W	83.3	Confident	87.3	Confident	233 Å²	233	112.1 Å²	112.1	88%	0.883	59%	0.592	S	S	*	*			trans	-127.6	131.8	-175.9	-64.2	90.1	0	0	0	111.7	A10	A10-W12 VanDerWaalsContact C-N 3.26Å; A10-W12 PolarHBondContact O-N 2.94Å
13	V	86.5	Confident	87.6	Confident	80 Å²	80	110.8 Å²	110.8	49%	0.485	59%	0.588	S	S	.	*			trans	-120.6	116.9	175.4	-177.3	0	0	0	0	109.6	P5 T15	P5-V13 HydrophobicContact CB-CG1 3.77Å; P5-V13 HydrophobicContact CB-CG2 4.46Å; V13-T15 HydrophobicContact CG1-CG2 3.85Å; V13-T15 PolarHBondContact O-N 3.2Å
14	I	86	Confident	87.8	Confident	156 Å²	156	109.4 Å²	109.4	80%	0.8	60%	0.598	S	S	*	*			trans	-83.1	113	175	-57.8	175.2	0	0	0	108.6
15	T	91.7	Very high	87.9	Confident	107 Å²	107	106.8 Å²	106.8	66%	0.656	60%	0.604	S	S	*	*			trans	-112.8	156.5	177.2	74.6	0	0	0	0	111.1	V13	V13-T15 HydrophobicContact CG1-CG2 3.85Å; V13-T15 PolarHBondContact O-N 3.2Å
16	G	91.4	Very high	87.3	Confident	26 Å²	26	115.8 Å²	115.8	27%	0.268	63%	0.631	S	S	.	*			trans	-126.6	131.1	172.4	0	0	0	0	0	109.3	P18	G16-P18 WeakPolarHBondContact O-CD 3.19Å
17	V	95.2	Very high	87.2	Confident	108 Å²	108	108.8 Å²	108.8	66%	0.655	62%	0.617	S	S	*	*			trans	-111.9	94.9	177.7	-176.3	0	0	0	0	108	F19	V17-F19 VanDerWaalsContact C-N 3.28Å; V17-F19 HydrophobicContact CG1-CB 4.19Å; V17-F19 PolarHBondContact O-N 2.98Å
18	P	93.1	Very high	87	Confident	93 Å²	93	103.7 Å²	103.7	60%	0.604	60%	0.598	S	S	*	*			trans	-79.2	74.8	-175	32.9	-35.9	0	0	0	111	G16 R30	G16-P18 WeakPolarHBondContact O-CD 3.19Å; P18-R30 WeakPolarHBondContact CA-O 3.08Å; P18-R30 WeakPolarHBondContact CB-O 3.45Å
19	F	94.5	Very high	86.9	Confident	125 Å²	125	104.2 Å²	104.2	55%	0.548	61%	0.609	S	S	.	*			trans	-134.6	133.4	-175.8	-178.2	-91.2	0	0	0	111.9	V17 M21 A22	V17-F19 VanDerWaalsContact C-N 3.28Å; V17-F19 HydrophobicContact CG1-CB 4.19Å; V17-F19 PolarHBondContact O-N 2.98Å; F19-M21 HydrophobicContact CD2-CB 4.43Å; F19-M21 HydrophobicContact CD2-CG 4.39Å; F19-M21 HydrophobicContact CE1-CB 4.31Å; F19-M21 HydrophobicContact CE2-CB 3.67Å; F19-M21 HydrophobicContact CE2-CG 3.96Å; F19-M21 HydrophobicContact CZ-CB 3.61Å; F19-M21 HydrophobicContact CZ-CG 4.4Å; F19-A22 HydrophobicContact CE1-CB 3.85Å
20	D	92.6	Very high	87	Confident	8 Å²	8	101.5 Å²	101.5	4%	0.043	59%	0.587	C	S	.	*			trans	-146.3	16.4	173	63	10.6	0	0	0	113.3	A22 T23 G28 G29 R30	D20-A22 PolarHBondContact O-N 3.29Å; D20-A22 VanDerWaalsContact O-N 3.08Å; D20-T23 HydrophobicContact CB-CG2 4.01Å; D20-T23 WeakPolarHBondContact O-CB 3.47Å; D20-T23 VanDerWaalsContact O-CG2 3.31Å; D20-T23 WeakPolarHBondContact O-CG2 3.22Å; D20-T23 PolarHBondContact O-N 2.64Å; D20-T23 VanDerWaalsContact O-N 3.09Å; D20-T23 PolarHBondContact O-OG1 2.63Å; D20-G28 WeakPolarHBondContact OD2-CA 3.44Å; D20-G28 PolarHBondContact OD2-N 3.29Å; D20-G29 PolarHBondContact OD2-N 2.68Å; D20-R30 HydrophobicContact CB-CB 4.41Å; D20-R30 VanDerWaalsContact CG-NE 3.27Å; D20-R30 IonicContact OD1-CZ 3.45Å; D20-R30 IonicContact OD1-NE 2.78Å; D20-R30 PolarHBondContact OD1-NE 2.92Å; D20-R30 IonicContact OD1-NH2 3.58Å; D20-R30 PolarHBondContact OD1-NH2 3.27Å; D20-R30 WeakPolarHBondContact OD2-CB 3.38Å; D20-R30 WeakPolarHBondContact OD2-CG 3.31Å; D20-R30 IonicContact OD2-CZ 3.52Å; D20-R30 PolarHBondContact OD2-N 3.24Å; D20-R30 VanDerWaalsContact OD2-N 3.1Å; D20-R30 IonicContact OD2-NE 3.67Å; D20-R30 PolarHBondContact OD2-NE 3.27Å; D20-R30 IonicContact OD2-NH2 2.76Å
21	M	93.5	Very high	87.3	Confident	141 Å²	141	104.9 Å²	104.9	70%	0.695	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-8.5	-179	-61.4	-66.3	-62.5	0	0	113.4	F19 R30	F19-M21 HydrophobicContact CD2-CB 4.43Å; F19-M21 HydrophobicContact CD2-CG 4.39Å; F19-M21 HydrophobicContact CE1-CB 4.31Å; F19-M21 HydrophobicContact CE2-CB 3.67Å; F19-M21 HydrophobicContact CE2-CG 3.96Å; F19-M21 HydrophobicContact CZ-CB 3.61Å; F19-M21 HydrophobicContact CZ-CG 4.4Å; M21-R30 PolarHBondContact SD-NH2 3.44Å; M21-R30 VanDerWaalsContact SD-NH2 3.42Å
22	A	93.1	Very high	87.4	Confident	85 Å²	85	98.7 Å²	98.7	70%	0.702	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	5.5	174.5	0	0	0	0	0	113.7	F19 D20	F19-A22 HydrophobicContact CE1-CB 3.85Å; D20-A22 PolarHBondContact O-N 3.29Å; D20-A22 VanDerWaalsContact O-N 3.08Å
23	T	70.3	Confident	87.8	Confident	68 Å²	68	88.8 Å²	88.8	42%	0.417	53%	0.533	S	S	.	.			trans	-71.1	133.5	-179.5	50	0	0	0	0	111.7	D20	D20-T23 HydrophobicContact CB-CG2 4.01Å; D20-T23 WeakPolarHBondContact O-CB 3.47Å; D20-T23 VanDerWaalsContact O-CG2 3.31Å; D20-T23 WeakPolarHBondContact O-CG2 3.22Å; D20-T23 PolarHBondContact O-N 2.64Å; D20-T23 VanDerWaalsContact O-N 3.09Å; D20-T23 PolarHBondContact O-OG1 2.63Å
24	S	84.2	Confident	87.9	Confident	136 Å²	136	88 Å²	88	95%	0.951	53%	0.534	S	S	*	.	S	Bend	trans	-97.6	5.1	172.9	57.1	0	0	0	0	113.3
25	G	85.7	Confident	87.7	Confident	65 Å²	65	82.9 Å²	82.9	67%	0.67	52%	0.516	S	S	*	.	S	Bend	trans	-137.1	-123.1	-178.1	0	0	0	0	0	111
26	R	71.5	Confident	87.4	Confident	242 Å²	242	83.3 Å²	83.3	91%	0.913	51%	0.513	S	S	*	.			trans	-80.8	128	178.8	-64.4	177.1	-176.4	168.3	-0.2	110.9
27	A	84.6	Confident	87.1	Confident	67 Å²	67	87.8 Å²	87.8	55%	0.554	52%	0.521	S	S	*	.			trans	-75.9	172.3	167	0	0	0	0	0	111.1
28	G	83.3	Confident	86.4	Confident	33 Å²	33	89.7 Å²	89.7	34%	0.34	52%	0.523	S	S	.	.			trans	130.5	-18.3	-179.9	0	0	0	0	0	113.2	D20 R30 H31	D20-G28 WeakPolarHBondContact OD2-CA 3.44Å; D20-G28 PolarHBondContact OD2-N 3.29Å; G28-R30 PolarHBondContact O-N 3.41Å; G28-H31 PolarHBondContact O-CD2 3.14Å; G28-H31 PolarHBondContact O-N 3.07Å
29	G	83	Confident	85.7	Confident	47 Å²	47	90 Å²	90	49%	0.485	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-57	-24.4	178.5	0	0	0	0	0	113.8	D20 H31 G32	D20-G29 PolarHBondContact OD2-N 2.68Å; G29-H31 PolarHBondContact O-N 2.99Å; G29-H31 VanDerWaalsContact O-N 3.15Å; G29-G32 PolarHBondContact O-N 2.94Å
30	R	92.4	Very high	85.1	Confident	103 Å²	103	86.3 Å²	86.3	39%	0.389	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-58.6	-25.9	175.2	70.9	-176.9	68.7	-172.8	-2	113.6	P18 D20 M21 G28	P18-R30 WeakPolarHBondContact CA-O 3.08Å; P18-R30 WeakPolarHBondContact CB-O 3.45Å; D20-R30 HydrophobicContact CB-CB 4.41Å; D20-R30 VanDerWaalsContact CG-NE 3.27Å; D20-R30 IonicContact OD1-CZ 3.45Å; D20-R30 IonicContact OD1-NE 2.78Å; D20-R30 PolarHBondContact OD1-NE 2.92Å; D20-R30 IonicContact OD1-NH2 3.58Å; D20-R30 PolarHBondContact OD1-NH2 3.27Å; D20-R30 WeakPolarHBondContact OD2-CB 3.38Å; D20-R30 WeakPolarHBondContact OD2-CG 3.31Å; D20-R30 IonicContact OD2-CZ 3.52Å; D20-R30 PolarHBondContact OD2-N 3.24Å; D20-R30 VanDerWaalsContact OD2-N 3.1Å; D20-R30 IonicContact OD2-NE 3.67Å; D20-R30 PolarHBondContact OD2-NE 3.27Å; D20-R30 IonicContact OD2-NH2 2.76Å; M21-R30 PolarHBondContact SD-NH2 3.44Å; M21-R30 VanDerWaalsContact SD-NH2 3.42Å; G28-R30 PolarHBondContact O-N 3.41Å
31	H	90.8	Very high	84.1	Confident	122 Å²	122	90.2 Å²	90.2	57%	0.565	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-84.9	-14.1	178.3	-56	-71.3	0	0	0	113	G28 G29 A34 A35	G28-H31 PolarHBondContact O-CD2 3.14Å; G28-H31 PolarHBondContact O-N 3.07Å; G29-H31 PolarHBondContact O-N 2.99Å; G29-H31 VanDerWaalsContact O-N 3.15Å; H31-A34 PolarHBondContact O-N 3.42Å; H31-A35 PolarHBondContact O-N 3.44Å
32	G	88.4	Confident	83	Confident	27 Å²	27	88.4 Å²	88.4	28%	0.278	53%	0.53	S	S	.	.	H	α-helix	trans	-51.2	-50.1	-176.1	0	0	0	0	0	113.8	G29 A34 A35 I36	G29-G32 PolarHBondContact O-N 2.94Å; G32-A34 VanDerWaalsContact C-N 3.27Å; G32-A34 PolarHBondContact O-N 2.96Å; G32-A35 PolarHBondContact O-N 3.17Å; G32-I36 WeakPolarHBondContact O-CB 3.32Å; G32-I36 VanDerWaalsContact O-CG1 3.31Å; G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 3.19Å
33	P	91.5	Very high	81.9	Confident	26 Å²	26	92 Å²	92	17%	0.169	54%	0.537	C	S	.	.	H	α-helix	trans	-62.4	-29.8	178.9	-24.6	34.1	0	0	0	114.6	R37	P33-R37 VanDerWaalsContact C-NH1 3.34Å; P33-R37 VanDerWaalsContact O-CG 3.27Å; P33-R37 WeakPolarHBondContact O-CG 3.44Å; P33-R37 PolarHBondContact O-N 3.38Å; P33-R37 PolarHBondContact O-NH1 3.44Å
34	A	88.8	Confident	81.7	Confident	62 Å²	62	91.7 Å²	91.7	51%	0.512	54%	0.541	S	S	.	.	H	α-helix	trans	-75.8	-46	175.8	0	0	0	0	0	110.5	H31 G32 I36 R37 Q38	H31-A34 PolarHBondContact O-N 3.42Å; G32-A34 VanDerWaalsContact C-N 3.27Å; G32-A34 PolarHBondContact O-N 2.96Å; A34-I36 PolarHBondContact O-N 3Å; A34-R37 PolarHBondContact O-N 2.99Å; A34-Q38 PolarHBondContact O-N 2.93Å
35	A	82.1	Confident	80.3	Confident	50 Å²	50	92.8 Å²	92.8	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-45.4	177.6	0	0	0	0	0	112.2	H31 G32 R37 Q38 V39	H31-A35 PolarHBondContact O-N 3.44Å; G32-A35 PolarHBondContact O-N 3.17Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.11Å; A35-Q38 PolarHBondContact O-N 3.24Å; A35-V39 WeakPolarHBondContact O-CG2 3.28Å; A35-V39 PolarHBondContact O-N 3.46Å
36	I	86.4	Confident	79	Confident	116 Å²	116	99.2 Å²	99.2	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-58.8	-44.7	176.8	-69.9	167.4	0	0	0	111.1	G32 A34 Q38 V39 S40	G32-I36 WeakPolarHBondContact O-CB 3.32Å; G32-I36 VanDerWaalsContact O-CG1 3.31Å; G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 3.19Å; A34-I36 PolarHBondContact O-N 3Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.46Å; I36-V39 WeakPolarHBondContact O-CG2 3.21Å; I36-V39 PolarHBondContact O-N 3.33Å; I36-S40 VanDerWaalsContact O-CB 3.29Å; I36-S40 WeakPolarHBondContact O-CB 3.33Å; I36-S40 PolarHBondContact O-N 2.92Å; I36-S40 PolarHBondContact O-OG 3.09Å
37	R	84.3	Confident	78.3	Confident	120 Å²	120	95.6 Å²	95.6	45%	0.453	53%	0.53	S	S	.	.	H	α-helix	trans	-61.7	-42.6	177.3	-73.7	178.2	-174.9	103.2	-8.6	111.3	P33 A34 A35 S40	P33-R37 VanDerWaalsContact C-NH1 3.34Å; P33-R37 VanDerWaalsContact O-CG 3.27Å; P33-R37 WeakPolarHBondContact O-CG 3.44Å; P33-R37 PolarHBondContact O-N 3.38Å; P33-R37 PolarHBondContact O-NH1 3.44Å; A34-R37 PolarHBondContact O-N 2.99Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.11Å; R37-S40 PolarHBondContact O-N 3.38Å; R37-S40 PolarHBondContact O-OG 3.05Å
38	Q	80.8	Confident	77.1	Confident	148 Å²	148	98.1 Å²	98.1	69%	0.692	54%	0.535	S	S	*	.	H	α-helix	trans	-64	-45.8	-179.7	-173.6	177	-4.1	0	0	111.8	A34 A35 I36 S40 T41	A34-Q38 PolarHBondContact O-N 2.93Å; A35-Q38 PolarHBondContact O-N 3.24Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.46Å; Q38-S40 VanDerWaalsContact C-N 3.34Å; Q38-S40 PolarHBondContact O-N 2.99Å; Q38-T41 WeakPolarHBondContact O-CG2 3.28Å; Q38-T41 PolarHBondContact O-OG1 3.31Å
39	V	78.5	Confident	76.4	Confident	98 Å²	98	103.4 Å²	103.4	59%	0.594	54%	0.544	S	S	*	.	H	α-helix	trans	-75	-23.1	180	-57.9	0	0	0	0	113.3	A35 I36 T41	A35-V39 WeakPolarHBondContact O-CG2 3.28Å; A35-V39 PolarHBondContact O-N 3.46Å; I36-V39 WeakPolarHBondContact O-CG2 3.21Å; I36-V39 PolarHBondContact O-N 3.33Å; V39-T41 PolarHBondContact O-N 3.34Å
40	S	80.8	Confident	75.8	Confident	49 Å²	49	104.5 Å²	104.5	34%	0.343	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-72.1	-12.2	178.5	68.2	0	0	0	0	114.4	I36 R37 Q38 N42 L43	I36-S40 VanDerWaalsContact O-CB 3.29Å; I36-S40 WeakPolarHBondContact O-CB 3.33Å; I36-S40 PolarHBondContact O-N 2.92Å; I36-S40 PolarHBondContact O-OG 3.09Å; R37-S40 PolarHBondContact O-N 3.38Å; R37-S40 PolarHBondContact O-OG 3.05Å; Q38-S40 VanDerWaalsContact C-N 3.34Å; Q38-S40 PolarHBondContact O-N 2.99Å; S40-N42 PolarHBondContact O-N 3.41Å; S40-L43 WeakPolarHBondContact O-CB 3.42Å; S40-L43 PolarHBondContact O-N 3.37Å
41	T	71.5	Confident	74.7	Confident	89 Å²	89	105.1 Å²	105.1	55%	0.546	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-58.3	-36.8	177.2	55.2	0	0	0	0	111.5	Q38 V39 L43 A44 W45	Q38-T41 WeakPolarHBondContact O-CG2 3.28Å; Q38-T41 PolarHBondContact O-OG1 3.31Å; V39-T41 PolarHBondContact O-N 3.34Å; T41-L43 PolarHBondContact O-N 2.87Å; T41-A44 PolarHBondContact O-N 2.97Å; T41-W45 PolarHBondContact O-N 3.46Å
42	N	70.1	Confident	74.1	Confident	103 Å²	103	104.3 Å²	104.3	55%	0.551	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.2	177.3	-68.2	-19.2	0	0	0	113.1	S40 A44 W45	S40-N42 PolarHBondContact O-N 3.41Å; N42-A44 VanDerWaalsContact C-N 3.27Å; N42-A44 PolarHBondContact O-N 3.12Å; N42-W45 HydrophobicContact CB-CE3 4.48Å; N42-W45 WeakPolarHBondContact O-CB 3.44Å; N42-W45 PolarHBondContact O-N 2.97Å
43	L	70.9	Confident	73.9	Confident	160 Å²	160	110.5 Å²	110.5	84%	0.838	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-71.8	-23.1	176.4	-62	172.1	0	0	0	112.5	S40 T41	S40-L43 WeakPolarHBondContact O-CB 3.42Å; S40-L43 PolarHBondContact O-N 3.37Å; T41-L43 PolarHBondContact O-N 2.87Å
44	A	66.2	Low	73.6	Confident	62 Å²	62	112.5 Å²	112.5	51%	0.512	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-98.5	-0.3	179.5	0	0	0	0	0	113.3	T41 N42 E46 H47	T41-A44 PolarHBondContact O-N 2.97Å; N42-A44 VanDerWaalsContact C-N 3.27Å; N42-A44 PolarHBondContact O-N 3.12Å; A44-E46 VanDerWaalsContact C-N 3.32Å; A44-E46 PolarHBondContact O-N 2.85Å; A44-H47 PolarHBondContact O-N 3.39Å
45	W	55.1	Low	73.5	Confident	159 Å²	159	111.6 Å²	111.6	60%	0.602	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-41.6	-164.3	-165.9	-12.9	0	0	0	113.1	T41 N42 H47	T41-W45 PolarHBondContact O-N 3.46Å; N42-W45 HydrophobicContact CB-CE3 4.48Å; N42-W45 WeakPolarHBondContact O-CB 3.44Å; N42-W45 PolarHBondContact O-N 2.97Å; W45-H47 PolarHBondContact O-N 3.22Å
46	E	59	Low	73.8	Confident	200 Å²	200	111.2 Å²	111.2	94%	0.935	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-23.2	-175	-65.6	-167.5	167.6	0	0	114.8	A44	A44-E46 VanDerWaalsContact C-N 3.32Å; A44-E46 PolarHBondContact O-N 2.85Å
47	H	54.8	Low	74	Confident	166 Å²	166	107 Å²	107	77%	0.769	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-30.4	-172.1	-156.7	-51.9	0	0	0	113.2	A44 W45	A44-H47 PolarHBondContact O-N 3.39Å; W45-H47 PolarHBondContact O-N 3.22Å
48	N	60.9	Low	74.4	Confident	121 Å²	121	107.9 Å²	107.9	65%	0.647	54%	0.541	S	S	*	.			trans	-149.9	88.2	173	-82.1	-40.3	0	0	0	107.8	F50	N48-F50 PolarHBondContact O-N 2.88Å
49	R	67.3	Low	74.9	Confident	143 Å²	143	107.8 Å²	107.8	54%	0.54	53%	0.534	S	S	.	.	S	Bend	trans	-49.1	-31.8	-179.5	-175.1	175.7	179.6	-174.8	-3.6	112.6
50	F	71.9	Confident	75.6	Confident	70 Å²	70	105 Å²	105	31%	0.307	52%	0.516	S	S	.	.	S	Bend	trans	-122.8	120.5	176.3	-55.3	-61.6	0	0	0	109.3	N48 W52 F116	N48-F50 PolarHBondContact O-N 2.88Å; F50-W52 HydrophobicContact CB-CD2 4.02Å; F50-W52 HydrophobicContact CB-CG 4.47Å; F50-W52 HydrophobicContact CB-CH2 4.25Å; F50-W52 HydrophobicContact CB-CZ2 3.72Å; F50-W52 AromaticContact CD1-CH2 3.65Å; F50-W52 HydrophobicContact CD1-CH2 3.65Å; F50-W52 AromaticContact CD1-CZ2 3.37Å; F50-W52 HydrophobicContact CD1-CZ2 3.37Å; F50-W52 HydrophobicContact CE1-CZ2 4.23Å; F50-W52 HydrophobicContact CG-CH2 4.34Å; F50-W52 AromaticContact CG-CZ2 3.76Å; F50-W52 HydrophobicContact CG-CZ2 3.76Å; F50-W52 PolarHBondContact O-N 2.87Å; F50-F116 HydrophobicContact CE2-CD2 4.18Å; F50-F116 HydrophobicContact CE2-CG 4.29Å; F50-F116 HydrophobicContact CZ-CB 3.88Å; F50-F116 HydrophobicContact CZ-CD1 4.48Å; F50-F116 HydrophobicContact CZ-CD2 4.33Å; F50-F116 AromaticContact CZ-CG 3.99Å; F50-F116 HydrophobicContact CZ-CG 3.99Å
51	P	69.1	Low	76.2	Confident	117 Å²	117	104.1 Å²	104.1	76%	0.76	51%	0.507	S	S	*	.	S	Bend	trans	-75.4	12.1	-175.7	31.2	-37.1	0	0	0	114
52	W	78.1	Confident	77.2	Confident	105 Å²	105	101.9 Å²	101.9	40%	0.398	50%	0.498	S	S	.	.			trans	-119.7	151.7	-176.2	56.1	72.4	0	0	0	111.8	F50 F54	F50-W52 HydrophobicContact CB-CD2 4.02Å; F50-W52 HydrophobicContact CB-CG 4.47Å; F50-W52 HydrophobicContact CB-CH2 4.25Å; F50-W52 HydrophobicContact CB-CZ2 3.72Å; F50-W52 AromaticContact CD1-CH2 3.65Å; F50-W52 HydrophobicContact CD1-CH2 3.65Å; F50-W52 AromaticContact CD1-CZ2 3.37Å; F50-W52 HydrophobicContact CD1-CZ2 3.37Å; F50-W52 HydrophobicContact CE1-CZ2 4.23Å; F50-W52 HydrophobicContact CG-CH2 4.34Å; F50-W52 AromaticContact CG-CZ2 3.76Å; F50-W52 HydrophobicContact CG-CZ2 3.76Å; F50-W52 PolarHBondContact O-N 2.87Å; W52-F54 HydrophobicContact CB-CD1 3.78Å; W52-F54 HydrophobicContact CB-CE1 3.48Å; W52-F54 VanDerWaalsContact CB-CE1 3.48Å; W52-F54 HydrophobicContact CB-CG 4.45Å; W52-F54 HydrophobicContact CB-CZ 3.89Å; W52-F54 HydrophobicContact CG-CD1 4.33Å; W52-F54 HydrophobicContact CG-CE1 4.03Å; W52-F54 HydrophobicContact CG-CE2 4.21Å; W52-F54 AromaticContact CG-CZ 3.95Å; W52-F54 HydrophobicContact CG-CZ 3.95Å; W52-F54 PolarHBondContact NE1-O 3.22Å
53	N	83.2	Confident	78.4	Confident	157 Å²	157	102 Å²	102	84%	0.84	50%	0.495	S	S	*	.	S	Bend	trans	-102.1	22.9	-177.3	68.6	-16.4	0	0	0	113.5
54	F	85.2	Confident	79.5	Confident	68 Å²	68	94.4 Å²	94.4	30%	0.298	46%	0.455	S	S	.	.	S	Bend	trans	-129	155.4	-179.2	60.9	-101	0	0	0	111.2	W52 M56 R59	W52-F54 HydrophobicContact CB-CD1 3.78Å; W52-F54 HydrophobicContact CB-CE1 3.48Å; W52-F54 VanDerWaalsContact CB-CE1 3.48Å; W52-F54 HydrophobicContact CB-CG 4.45Å; W52-F54 HydrophobicContact CB-CZ 3.89Å; W52-F54 HydrophobicContact CG-CD1 4.33Å; W52-F54 HydrophobicContact CG-CE1 4.03Å; W52-F54 HydrophobicContact CG-CE2 4.21Å; W52-F54 AromaticContact CG-CZ 3.95Å; W52-F54 HydrophobicContact CG-CZ 3.95Å; W52-F54 PolarHBondContact NE1-O 3.22Å; F54-M56 HydrophobicContact CE2-CB 4.29Å; F54-M56 PolarHBondContact O-N 3.46Å; F54-R59 HydrophobicContact CB-CG 4.39Å; F54-R59 HydrophobicContact CD2-CB 4.38Å; F54-R59 HydrophobicContact CD2-CG 3.73Å; F54-R59 HydrophobicContact CE2-CG 4.3Å; F54-R59 HydrophobicContact CG-CG 4.25Å
55	D	86.7	Confident	80.8	Confident	42 Å²	42	93.5 Å²	93.5	23%	0.225	44%	0.44	C	S	.	.			trans	-77.9	114.8	168.9	-167.9	-33.9	0	0	0	109.5	R57 E58 R59	D55-R57 PolarHBondContact O-N 3.46Å; D55-R57 WeakPolarHBondContact OD1-CA 3.37Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 WeakPolarHBondContact OD1-CG 3.47Å; D55-R57 IonicContact OD1-CZ 3.84Å; D55-R57 PolarHBondContact OD1-N 3.45Å; D55-R57 IonicContact OD1-NE 3.11Å; D55-R57 PolarHBondContact OD1-NE 3.13Å; D55-R57 IonicContact OD1-NH2 2.72Å; D55-R57 IonicContact OD2-CZ 3.88Å; D55-R57 VanDerWaalsContact OD2-CZ 3.29Å; D55-R57 IonicContact OD2-NE 3.54Å; D55-R57 PolarHBondContact OD2-NE 3.23Å; D55-R57 VanDerWaalsContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 3.81Å; D55-R57 PolarHBondContact OD2-NH2 2.98Å; D55-E58 HydrophobicContact CB-CB 4.03Å; D55-E58 HydrophobicContact CB-CG 3.8Å; D55-E58 PolarHBondContact O-N 2.94Å; D55-R59 PolarHBondContact O-N 3.4Å; D55-R59 VanDerWaalsContact O-N 3.08Å
56	M	89	Confident	82.6	Confident	43 Å²	43	93.7 Å²	93.7	21%	0.212	45%	0.445	C	S	.	.	H	α-helix	trans	-58.8	-36.8	178.9	-174.1	-80.5	-83.3	0	0	111	F54 R59 L60 F82 V83	F54-M56 HydrophobicContact CE2-CB 4.29Å; F54-M56 PolarHBondContact O-N 3.46Å; M56-R59 PolarHBondContact O-N 3.34Å; M56-L60 VanDerWaalsContact O-CB 3.31Å; M56-L60 WeakPolarHBondContact O-CB 3.34Å; M56-L60 PolarHBondContact O-N 3.05Å; M56-L60 HydrophobicContact SD-CB 4.02Å; M56-L60 HydrophobicContact SD-CD2 3.93Å; M56-F82 HydrophobicContact CE-CD1 3.81Å; M56-F82 HydrophobicContact CE-CE1 4.1Å; M56-V83 HydrophobicContact CE-CG1 4.31Å
57	R	90.4	Very high	84.3	Confident	28 Å²	28	87.1 Å²	87.1	11%	0.106	42%	0.416	C	S	.	.	H	α-helix	trans	-65	-44.5	-179.5	-52.8	166.3	-61.5	178.1	-5.9	110.5	D55 N61 F82 P86 E115 F116	D55-R57 PolarHBondContact O-N 3.46Å; D55-R57 WeakPolarHBondContact OD1-CA 3.37Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 WeakPolarHBondContact OD1-CG 3.47Å; D55-R57 IonicContact OD1-CZ 3.84Å; D55-R57 PolarHBondContact OD1-N 3.45Å; D55-R57 IonicContact OD1-NE 3.11Å; D55-R57 PolarHBondContact OD1-NE 3.13Å; D55-R57 IonicContact OD1-NH2 2.72Å; D55-R57 IonicContact OD2-CZ 3.88Å; D55-R57 VanDerWaalsContact OD2-CZ 3.29Å; D55-R57 IonicContact OD2-NE 3.54Å; D55-R57 PolarHBondContact OD2-NE 3.23Å; D55-R57 VanDerWaalsContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 3.81Å; D55-R57 PolarHBondContact OD2-NH2 2.98Å; R57-N61 WeakPolarHBondContact O-CB 3.45Å; R57-N61 PolarHBondContact O-N 2.97Å; R57-F82 HydrophobicContact CG-CE1 3.77Å; R57-F82 HydrophobicContact CG-CZ 4.01Å; R57-P86 HydrophobicContact CB-CB 4.13Å; R57-P86 WeakPolarHBondContact O-CB 3.21Å; R57-E115 IonicContact CZ-OE1 2.79Å; R57-E115 IonicContact NH1-OE1 3.99Å; R57-E115 PolarHBondContact NH1-OE1 3.07Å; R57-E115 IonicContact NH2-OE1 2.96Å; R57-E115 PolarHBondContact NH2-OE1 3.31Å; R57-F116 HydrophobicContact CG-CE1 3.87Å; R57-F116 HydrophobicContact CG-CZ 4.33Å
58	E	92.2	Very high	86.2	Confident	137 Å²	137	79.6 Å²	79.6	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-63.4	-44.1	176.2	-68.4	-174	162.3	0	0	111.4	D55 A62	D55-E58 HydrophobicContact CB-CB 4.03Å; D55-E58 HydrophobicContact CB-CG 3.8Å; D55-E58 PolarHBondContact O-N 2.94Å; E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 2.81Å
59	R	92.4	Very high	87.7	Confident	146 Å²	146	77.4 Å²	77.4	55%	0.551	38%	0.381	S	S	*	.	H	α-helix	trans	-66.1	-45.2	179.7	-71.3	-156.2	-179	-173	2.5	112.6	F54 D55 M56 A62 H63	F54-R59 HydrophobicContact CB-CG 4.39Å; F54-R59 HydrophobicContact CD2-CB 4.38Å; F54-R59 HydrophobicContact CD2-CG 3.73Å; F54-R59 HydrophobicContact CE2-CG 4.3Å; F54-R59 HydrophobicContact CG-CG 4.25Å; D55-R59 PolarHBondContact O-N 3.4Å; D55-R59 VanDerWaalsContact O-N 3.08Å; M56-R59 PolarHBondContact O-N 3.34Å; R59-A62 PolarHBondContact O-N 2.83Å; R59-H63 WeakPolarHBondContact O-CB 3.19Å; R59-H63 PolarHBondContact O-N 3.25Å
60	L	92.8	Very high	89.1	Confident	40 Å²	40	73.7 Å²	73.7	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-68.6	-43.4	179.5	-177.6	52	0	0	0	111	M56 A62 H63 A64 V83 P86 L87	M56-L60 VanDerWaalsContact O-CB 3.31Å; M56-L60 WeakPolarHBondContact O-CB 3.34Å; M56-L60 PolarHBondContact O-N 3.05Å; M56-L60 HydrophobicContact SD-CB 4.02Å; M56-L60 HydrophobicContact SD-CD2 3.93Å; L60-A62 PolarHBondContact O-N 3.34Å; L60-H63 WeakPolarHBondContact O-CB 3.24Å; L60-H63 PolarHBondContact O-N 2.82Å; L60-A64 WeakPolarHBondContact O-CB 3.26Å; L60-A64 PolarHBondContact O-N 3.38Å; L60-V83 HydrophobicContact CD2-CB 3.89Å; L60-V83 HydrophobicContact CD2-CG1 4.31Å; L60-P86 HydrophobicContact CB-CB 4.21Å; L60-P86 HydrophobicContact CB-CG 4.11Å; L60-P86 HydrophobicContact CD2-CG 3.67Å; L60-P86 HydrophobicContact CG-CB 4.34Å; L60-P86 HydrophobicContact CG-CG 4Å; L60-L87 HydrophobicContact CD1-CD2 4.04Å; L60-L87 HydrophobicContact CD2-CG 4.38Å; L60-L87 HydrophobicContact CG-CD2 4.23Å; L60-L87 HydrophobicContact CG-CG 4.42Å
61	N	92.4	Very high	90	Very high	30 Å²	30	73.7 Å²	73.7	16%	0.16	40%	0.4	C	S	.	.	H	α-helix	trans	-57.6	-49.9	172.9	-179.4	71.6	0	0	0	111	R57 H63 A64 E65 P86 R89 A90	R57-N61 WeakPolarHBondContact O-CB 3.45Å; R57-N61 PolarHBondContact O-N 2.97Å; N61-H63 VanDerWaalsContact C-N 3.31Å; N61-H63 PolarHBondContact O-N 3.36Å; N61-A64 PolarHBondContact O-N 2.91Å; N61-E65 PolarHBondContact ND2-OE1 3.21Å; N61-E65 WeakPolarHBondContact O-CB 3.35Å; N61-E65 WeakPolarHBondContact O-CG 3.43Å; N61-E65 PolarHBondContact O-N 3.02Å; N61-P86 HydrophobicContact CB-CB 4.18Å; N61-P86 PolarHBondContact OD1-O 3.1Å; N61-R89 WeakPolarHBondContact OD1-CB 3.31Å; N61-A90 VanDerWaalsContact OD1-CA 3.27Å; N61-A90 WeakPolarHBondContact OD1-CA 3.28Å; N61-A90 WeakPolarHBondContact OD1-CB 3.5Å; N61-A90 PolarHBondContact OD1-N 2.97Å
62	A	94.5	Very high	91.1	Very high	43 Å²	43	74 Å²	74	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-33.1	179.1	0	0	0	0	0	113.2	E58 R59 L60 K66	E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 2.81Å; R59-A62 PolarHBondContact O-N 2.83Å; L60-A62 PolarHBondContact O-N 3.34Å; A62-K66 WeakPolarHBondContact O-CG 3.42Å; A62-K66 PolarHBondContact O-N 3.17Å
63	H	93.7	Very high	91.7	Very high	105 Å²	105	75.5 Å²	75.5	49%	0.486	40%	0.395	S	S	.	.	H	α-helix	trans	-65	-50.5	173	174.9	74	0	0	0	111.2	R59 L60 N61 K66 L67	R59-H63 WeakPolarHBondContact O-CB 3.19Å; R59-H63 PolarHBondContact O-N 3.25Å; L60-H63 WeakPolarHBondContact O-CB 3.24Å; L60-H63 PolarHBondContact O-N 2.82Å; N61-H63 VanDerWaalsContact C-N 3.31Å; N61-H63 PolarHBondContact O-N 3.36Å; H63-K66 PolarHBondContact O-N 3.42Å; H63-L67 WeakPolarHBondContact NE2-CD1 3.37Å; H63-L67 PolarHBondContact O-N 3.18Å
64	A	94	Very high	92.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.8	-45.5	178.8	0	0	0	0	0	111.9	L60 N61 K66 L67 L68 M74 L87 A90	L60-A64 WeakPolarHBondContact O-CB 3.26Å; L60-A64 PolarHBondContact O-N 3.38Å; N61-A64 PolarHBondContact O-N 2.91Å; A64-K66 VanDerWaalsContact C-N 3.29Å; A64-K66 PolarHBondContact O-N 2.79Å; A64-L67 PolarHBondContact O-N 3.29Å; A64-L67 VanDerWaalsContact O-N 3.1Å; A64-L68 WeakPolarHBondContact O-CG 3.49Å; A64-L68 PolarHBondContact O-N 2.9Å; A64-M74 VanDerWaalsContact CA-SD 3.58Å; A64-M74 HydrophobicContact CB-CE 3.86Å; A64-M74 HydrophobicContact CB-SD 3.59Å; A64-M74 VanDerWaalsContact CB-SD 3.59Å; A64-L87 HydrophobicContact CB-CD2 3.96Å; A64-A90 HydrophobicContact CB-CB 3.44Å; A64-A90 VanDerWaalsContact CB-CB 3.44Å
65	E	93.3	Very high	92.7	Very high	44 Å²	44	70.4 Å²	70.4	21%	0.206	37%	0.37	C	S	.	.	H	α-helix	trans	-56.3	-40.7	176.3	-76.3	-173.4	-172.7	0	0	112.5	N61 L67 L68 A69 A90 K93	N61-E65 PolarHBondContact ND2-OE1 3.21Å; N61-E65 WeakPolarHBondContact O-CB 3.35Å; N61-E65 WeakPolarHBondContact O-CG 3.43Å; N61-E65 PolarHBondContact O-N 3.02Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.12Å; E65-L68 PolarHBondContact O-N 2.91Å; E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 2.78Å; E65-A90 HydrophobicContact CG-CB 3.81Å; E65-K93 HydrophobicContact CG-CD 4.19Å; E65-K93 VanDerWaalsContact OE1-CD 3.25Å; E65-K93 WeakPolarHBondContact OE1-CD 3.37Å; E65-K93 IonicContact OE1-NZ 3.04Å; E65-K93 PolarHBondContact OE1-NZ 3.31Å; E65-K93 VanDerWaalsContact OE1-NZ 3.11Å; E65-K93 IonicContact OE2-NZ 3.08Å; E65-K93 PolarHBondContact OE2-NZ 3.27Å
66	K	93.8	Very high	93.1	Very high	162 Å²	162	69.4 Å²	69.4	70%	0.704	37%	0.366	S	S	*	.	H	α-helix	trans	-63.1	-40.5	177.5	-76	174.6	-176.2	179.6	0	112.4	A62 H63 A64 A70	A62-K66 WeakPolarHBondContact O-CG 3.42Å; A62-K66 PolarHBondContact O-N 3.17Å; H63-K66 PolarHBondContact O-N 3.42Å; A64-K66 VanDerWaalsContact C-N 3.29Å; A64-K66 PolarHBondContact O-N 2.79Å; K66-A70 PolarHBondContact O-N 3.42Å
67	L	94	Very high	93.3	Very high	62 Å²	62	75 Å²	75	33%	0.325	39%	0.39	S	S	.	.	H	α-helix	trans	-68.9	-45.3	177.9	-68.2	172.8	0	0	0	111.2	H63 A64 E65 A70 K72 M74	H63-L67 WeakPolarHBondContact NE2-CD1 3.37Å; H63-L67 PolarHBondContact O-N 3.18Å; A64-L67 PolarHBondContact O-N 3.29Å; A64-L67 VanDerWaalsContact O-N 3.1Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.12Å; L67-A70 WeakPolarHBondContact O-CB 3.41Å; L67-A70 PolarHBondContact O-N 2.9Å; L67-A70 VanDerWaalsContact O-N 3.15Å; L67-K72 WeakPolarHBondContact O-CB 3.08Å; L67-K72 WeakPolarHBondContact O-CG 3.31Å; L67-K72 PolarHBondContact O-N 2.75Å; L67-M74 HydrophobicContact CB-CG 4.41Å; L67-M74 HydrophobicContact CB-SD 4.19Å; L67-M74 HydrophobicContact CD1-CE 3.85Å; L67-M74 HydrophobicContact CD1-CG 4.33Å; L67-M74 HydrophobicContact CD1-SD 4.04Å
68	L	95	Very high	93	Very high	8 Å²	8	75.4 Å²	75.4	4%	0.042	40%	0.402	C	S	.	.	H	α-helix	trans	-65.5	-40.5	179	-66.5	176.3	0	0	0	112.2	A64 E65 A70 G71 K72 M74 A90 H91 H94 F95	A64-L68 WeakPolarHBondContact O-CG 3.49Å; A64-L68 PolarHBondContact O-N 2.9Å; E65-L68 PolarHBondContact O-N 2.91Å; L68-A70 PolarHBondContact O-N 3.15Å; L68-G71 WeakPolarHBondContact O-CA 3.4Å; L68-G71 PolarHBondContact O-N 3.38Å; L68-K72 WeakPolarHBondContact CD2-O 3.38Å; L68-M74 HydrophobicContact CD2-CG 4.34Å; L68-M74 HydrophobicContact CD2-SD 4.48Å; L68-M74 HydrophobicContact CG-SD 4.29Å; L68-A90 HydrophobicContact CD1-CB 4.18Å; L68-H91 HydrophobicContact CD1-CB 4.39Å; L68-H94 HydrophobicContact CB-CB 4.42Å; L68-H94 VanDerWaalsContact CB-CD2 3.48Å; L68-H94 WeakPolarHBondContact CB-CD2 3.24Å; L68-H94 HydrophobicContact CD1-CB 4.43Å; L68-F95 HydrophobicContact CD2-CE2 3.9Å; L68-F95 HydrophobicContact CD2-CZ 4.34Å
69	A	93.6	Very high	92.9	Very high	76 Å²	76	71 Å²	71	63%	0.628	39%	0.393	S	S	*	.	H	α-helix	trans	-62.4	-26.2	173.7	0	0	0	0	0	112.9	E65 G71 H94	E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 2.78Å; A69-G71 PolarHBondContact O-N 3.05Å; A69-H94 VanDerWaalsContact CA-CE1 3.49Å; A69-H94 WeakPolarHBondContact CA-CE1 3.2Å; A69-H94 PolarHBondContact N-CE1 2.76Å; A69-H94 VanDerWaalsContact N-CE1 3.32Å
70	A	95.3	Very high	93	Very high	65 Å²	65	67.7 Å²	67.7	54%	0.537	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	10.7	172.1	0	0	0	0	0	113.5	K66 L67 L68 K72	K66-A70 PolarHBondContact O-N 3.42Å; L67-A70 WeakPolarHBondContact O-CB 3.41Å; L67-A70 PolarHBondContact O-N 2.9Å; L67-A70 VanDerWaalsContact O-N 3.15Å; L68-A70 PolarHBondContact O-N 3.15Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 HydrophobicContact CB-CG 4.29Å; A70-K72 PolarHBondContact O-N 2.86Å
71	G	91	Very high	93.2	Very high	69 Å²	69	65.8 Å²	65.8	71%	0.711	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	21.6	179.3	0	0	0	0	0	113.9	L68 A69	L68-G71 WeakPolarHBondContact O-CA 3.4Å; L68-G71 PolarHBondContact O-N 3.38Å; A69-G71 PolarHBondContact O-N 3.05Å
72	K	92.9	Very high	93.4	Very high	124 Å²	124	64.8 Å²	64.8	54%	0.539	37%	0.371	S	S	.	.			trans	-87.8	155.4	177.6	-52.3	-56.8	177.5	-175	0	110.9	L67 L68 A70	L67-K72 WeakPolarHBondContact O-CB 3.08Å; L67-K72 WeakPolarHBondContact O-CG 3.31Å; L67-K72 PolarHBondContact O-N 2.75Å; L68-K72 WeakPolarHBondContact CD2-O 3.38Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 HydrophobicContact CB-CG 4.29Å; A70-K72 PolarHBondContact O-N 2.86Å
73	R	90.5	Very high	93.5	Very high	137 Å²	137	63.7 Å²	63.7	52%	0.517	36%	0.36	S	S	.	.			trans	-97.5	151.8	164	-63.6	-67.2	-173.3	-167.9	2.1	108.5	V223	R73-V223 WeakPolarHBondContact CD-O 3.29Å; R73-V223 VanDerWaalsContact NH1-CA 3.32Å; R73-V223 VanDerWaalsContact NH1-CG1 3.34Å; R73-V223 PolarHBondContact NH1-O 3.05Å
74	M	95.6	Very high	93.7	Very high	18 Å²	18	58.7 Å²	58.7	9%	0.089	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131	179.8	-66.4	-175.4	64.8	0	0	110.9	A64 L67 L68 L87 M225	A64-M74 VanDerWaalsContact CA-SD 3.58Å; A64-M74 HydrophobicContact CB-CE 3.86Å; A64-M74 HydrophobicContact CB-SD 3.59Å; A64-M74 VanDerWaalsContact CB-SD 3.59Å; L67-M74 HydrophobicContact CB-CG 4.41Å; L67-M74 HydrophobicContact CB-SD 4.19Å; L67-M74 HydrophobicContact CD1-CE 3.85Å; L67-M74 HydrophobicContact CD1-CG 4.33Å; L67-M74 HydrophobicContact CD1-SD 4.04Å; L68-M74 HydrophobicContact CD2-CG 4.34Å; L68-M74 HydrophobicContact CD2-SD 4.48Å; L68-M74 HydrophobicContact CG-SD 4.29Å; M74-L87 HydrophobicContact CE-CD2 3.9Å; M74-M225 PolarHBondContact O-N 3.24Å
75	L	94.4	Very high	93.8	Very high	99 Å²	99	59 Å²	59	52%	0.518	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.4	157.7	171.5	60.8	0	0	0	105.8	F77 M225	L75-F77 HydrophobicContact CD2-CE1 4.46Å; L75-F77 HydrophobicContact CD2-CZ 3.93Å; L75-F77 HydrophobicContact CG-CE1 4.48Å; L75-F77 HydrophobicContact CG-CZ 4.16Å; L75-M225 CarbonylContact C-O 3.56Å; L75-M225 VanDerWaalsContact CA-O 3.23Å; L75-M225 WeakPolarHBondContact CA-O 3.39Å; L75-M225 HydrophobicContact CD1-CB 3.92Å; L75-M225 HydrophobicContact CD1-CE 4.41Å; L75-M225 HydrophobicContact CD1-CG 3.64Å; L75-M225 HydrophobicContact CD1-SD 4Å
76	S	93.9	Very high	94	Very high	22 Å²	22	56.9 Å²	56.9	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.3	-177.9	-52.4	0	0	0	0	110.4	M225 D226 V227	S76-M225 PolarHBondContact N-O 3.04Å; S76-D226 CarbonylContact O-C 3.58Å; S76-D226 WeakPolarHBondContact O-CA 3.47Å; S76-D226 WeakPolarHBondContact O-CB 3.42Å; S76-V227 PolarHBondContact O-N 3.18Å
77	F	92.9	Very high	94.2	Very high	161 Å²	161	49.2 Å²	49.2	71%	0.706	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.9	167	-59	-68.4	0	0	0	107.6	L75 V227	L75-F77 HydrophobicContact CD2-CE1 4.46Å; L75-F77 HydrophobicContact CD2-CZ 3.93Å; L75-F77 HydrophobicContact CG-CE1 4.48Å; L75-F77 HydrophobicContact CG-CZ 4.16Å; F77-V227 HydrophobicContact CD1-CB 4.18Å; F77-V227 HydrophobicContact CE1-CG2 4.46Å
78	G	84.4	Confident	94.4	Very high	36 Å²	36	46.3 Å²	46.3	37%	0.371	28%	0.28	S	S	.	.			trans	-80.1	176.9	-168.2	0	0	0	0	0	115	V227	G78-V227 PolarHBondContact N-O 3.49Å
79	G	90.6	Very high	94.5	Very high	43 Å²	43	48.9 Å²	48.9	44%	0.443	29%	0.289	S	S	.	.	S	Bend	trans	-98	-128.8	137.4	0	0	0	0	0	107.2	E229	G79-E229 PolarHBondContact O-N 2.87Å
80	D	95.4	Very high	94.7	Very high	78 Å²	78	45.2 Å²	45.2	42%	0.417	26%	0.259	S	S	.	.	S	Bend	trans	-62	160.2	174.4	67.3	61.4	0	0	0	113.5	F82 V83 H118 E229	D80-F82 PolarHBondContact O-N 2.94Å; D80-F82 VanDerWaalsContact O-N 3.09Å; D80-F82 WeakPolarHBondContact OD1-CB 3.49Å; D80-F82 PolarHBondContact OD1-N 2.65Å; D80-F82 VanDerWaalsContact OD1-N 3.13Å; D80-V83 WeakPolarHBondContact O-CG1 3.47Å; D80-V83 VanDerWaalsContact O-CG2 3.3Å; D80-V83 WeakPolarHBondContact O-CG2 3.3Å; D80-V83 PolarHBondContact O-N 3.2Å; D80-H118 HydrophobicContact CB-CB 4.34Å; D80-E229 WeakPolarHBondContact CA-OE1 3.27Å; D80-E229 VanDerWaalsContact CB-OE1 3.23Å; D80-E229 WeakPolarHBondContact CB-OE1 3.4Å
81	H	96.6	Very high	94.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64.5	-16	-171	-151.4	155.8	0	0	0	113.3	V83 T84 H102 D104 D108 H118 M121 F122 T183 D185 V228 E229	H81-V83 PolarHBondContact O-N 3.18Å; H81-V83 VanDerWaalsContact O-N 3.07Å; H81-T84 PolarHBondContact CD2-OG1 2.89Å; H81-T84 WeakPolarHBondContact O-CB 3.37Å; H81-T84 PolarHBondContact O-N 3.46Å; H81-T84 VanDerWaalsContact O-N 3.09Å; H81-T84 PolarHBondContact O-OG1 3.01Å; H81-H102 AromaticContact CE1-CD2 3.64Å; H81-H102 AromaticContact CE1-NE2 3.17Å; H81-H102 PolarHBondContact CE1-NE2 3.41Å; H81-H102 AromaticContact ND1-NE2 3.99Å; H81-H102 AromaticContact NE2-NE2 3.93Å; H81-D104 IonicContact CE1-OD2 3.18Å; H81-D104 PolarHBondContact CE1-OD2 3.33Å; H81-D104 IonicContact ND1-OD2 2.68Å; H81-D104 PolarHBondContact ND1-OD2 2.94Å; H81-D108 IonicContact CE1-OD2 3.97Å; H81-D108 IonicContact CG-OD2 3.98Å; H81-D108 IonicContact ND1-OD2 3.15Å; H81-D108 PolarHBondContact ND1-OD2 2.89Å; H81-H118 HydrophobicContact CB-CB 4.21Å; H81-M121 HydrophobicContact CB-CE 3.46Å; H81-M121 VanDerWaalsContact CB-CE 3.46Å; H81-M121 WeakPolarHBondContact CD2-CE 3.29Å; H81-M121 WeakPolarHBondContact O-CE 3.38Å; H81-F122 AromaticContact CE1-CE2 3.96Å; H81-F122 AromaticContact NE2-CE2 3.7Å; H81-F122 AromaticContact NE2-CZ 3.59Å; H81-T183 PolarHBondContact NE2-OG1 3.36Å; H81-D185 IonicContact CE1-OD2 2.65Å; H81-D185 IonicContact CG-OD2 3.89Å; H81-D185 IonicContact ND1-OD2 3.29Å; H81-D185 PolarHBondContact ND1-OD2 2.92Å; H81-D185 VanDerWaalsContact ND1-OD2 3.12Å; H81-V228 HydrophobicContact CB-CG2 3.94Å; H81-E229 HydrophobicContact CB-CG 4.36Å; H81-E229 PolarHBondContact N-OE1 3.45Å
82	F	95.9	Very high	95.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.035	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-59	-27.5	177.6	-177.6	-102.7	0	0	0	112.9	M56 R57 D80 T84 L85 P86 E115 F116 H118	M56-F82 HydrophobicContact CE-CD1 3.81Å; M56-F82 HydrophobicContact CE-CE1 4.1Å; R57-F82 HydrophobicContact CG-CE1 3.77Å; R57-F82 HydrophobicContact CG-CZ 4.01Å; D80-F82 PolarHBondContact O-N 2.94Å; D80-F82 VanDerWaalsContact O-N 3.09Å; D80-F82 WeakPolarHBondContact OD1-CB 3.49Å; D80-F82 PolarHBondContact OD1-N 2.65Å; D80-F82 VanDerWaalsContact OD1-N 3.13Å; F82-T84 PolarHBondContact O-N 3.32Å; F82-L85 HydrophobicContact CE2-CD2 4.14Å; F82-L85 HydrophobicContact CZ-CD2 4.47Å; F82-L85 PolarHBondContact O-N 3.24Å; F82-L85 VanDerWaalsContact O-N 3.1Å; F82-P86 WeakPolarHBondContact O-CD 3.2Å; F82-E115 VanDerWaalsContact CE2-O 3.27Å; F82-E115 WeakPolarHBondContact CE2-O 3.24Å; F82-E115 WeakPolarHBondContact CZ-O 3.46Å; F82-F116 HydrophobicContact CD1-CD1 4.27Å; F82-F116 AromaticContact CE1-CD1 3.41Å; F82-F116 HydrophobicContact CE1-CD1 3.41Å; F82-F116 VanDerWaalsContact CE1-CD1 3.41Å; F82-F116 AromaticContact CE1-CE1 3.8Å; F82-F116 HydrophobicContact CE1-CE1 3.8Å; F82-F116 HydrophobicContact CE1-CG 4.4Å; F82-F116 AromaticContact CZ-CD1 3.59Å; F82-F116 HydrophobicContact CZ-CD1 3.59Å; F82-F116 HydrophobicContact CZ-CE1 4.07Å; F82-F116 HydrophobicContact CZ-CG 4.22Å; F82-H118 HydrophobicContact CB-CB 4.13Å
83	V	96.5	Very high	95.3	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.127	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.8	-24	177.9	-59.8	0	0	0	0	113.1	M56 L60 D80 H81 L85 P86 L87 V228	M56-V83 HydrophobicContact CE-CG1 4.31Å; L60-V83 HydrophobicContact CD2-CB 3.89Å; L60-V83 HydrophobicContact CD2-CG1 4.31Å; D80-V83 WeakPolarHBondContact O-CG1 3.47Å; D80-V83 VanDerWaalsContact O-CG2 3.3Å; D80-V83 WeakPolarHBondContact O-CG2 3.3Å; D80-V83 PolarHBondContact O-N 3.2Å; H81-V83 PolarHBondContact O-N 3.18Å; H81-V83 VanDerWaalsContact O-N 3.07Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 3.08Å; V83-P86 VanDerWaalsContact O-CD 3.25Å; V83-P86 WeakPolarHBondContact O-CD 3.43Å; V83-P86 VanDerWaalsContact O-CG 3.27Å; V83-P86 WeakPolarHBondContact O-CG 3.28Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.33Å; V83-L87 PolarHBondContact O-N 3.26Å; V83-V228 HydrophobicContact CG2-CG1 3.98Å
84	T	97.7	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-29.9	179.9	-57	0	0	0	0	112.4	H81 F82 L87 L88 F122 Y181 D226	H81-T84 PolarHBondContact CD2-OG1 2.89Å; H81-T84 WeakPolarHBondContact O-CB 3.37Å; H81-T84 PolarHBondContact O-N 3.46Å; H81-T84 VanDerWaalsContact O-N 3.09Å; H81-T84 PolarHBondContact O-OG1 3.01Å; F82-T84 PolarHBondContact O-N 3.32Å; T84-L87 WeakPolarHBondContact O-CB 3.45Å; T84-L87 PolarHBondContact O-N 3.09Å; T84-L88 HydrophobicContact CG2-CD1 4.08Å; T84-L88 HydrophobicContact CG2-CG 4.03Å; T84-L88 WeakPolarHBondContact O-CB 3.37Å; T84-L88 WeakPolarHBondContact O-CG 3.42Å; T84-L88 PolarHBondContact O-N 2.94Å; T84-F122 HydrophobicContact CG2-CE1 3.97Å; T84-F122 HydrophobicContact CG2-CZ 3.99Å; T84-Y181 HydrophobicContact CG2-CD1 4.44Å; T84-Y181 HydrophobicContact CG2-CE1 3.82Å; T84-D226 WeakPolarHBondContact CG2-OD2 3.34Å; T84-D226 PolarHBondContact OG1-OD2 3.42Å
85	L	97.4	Very high	95.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-56.7	178.4	-174.2	57	0	0	0	113.4	F82 V83 L87 L88 R89 M121 T124 A125 L130	F82-L85 HydrophobicContact CE2-CD2 4.14Å; F82-L85 HydrophobicContact CZ-CD2 4.47Å; F82-L85 PolarHBondContact O-N 3.24Å; F82-L85 VanDerWaalsContact O-N 3.1Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 3.08Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.41Å; L85-L88 PolarHBondContact O-N 3.08Å; L85-R89 WeakPolarHBondContact O-CG 3.32Å; L85-R89 PolarHBondContact O-N 3.07Å; L85-M121 HydrophobicContact CB-CB 3.81Å; L85-M121 HydrophobicContact CD1-CB 4.41Å; L85-M121 HydrophobicContact CD2-CB 4.21Å; L85-M121 HydrophobicContact CG-CB 4.35Å; L85-T124 HydrophobicContact CD1-CG2 4.41Å; L85-T124 HydrophobicContact CD2-CG2 4.33Å; L85-A125 HydrophobicContact CD1-CB 4.18Å; L85-L130 HydrophobicContact CD1-CD1 4.1Å
86	P	96.7	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-26.8	175.7	27.2	-36.4	0	0	0	113.2	R57 L60 N61 F82 V83 A90	R57-P86 HydrophobicContact CB-CB 4.13Å; R57-P86 WeakPolarHBondContact O-CB 3.21Å; L60-P86 HydrophobicContact CB-CB 4.21Å; L60-P86 HydrophobicContact CB-CG 4.11Å; L60-P86 HydrophobicContact CD2-CG 3.67Å; L60-P86 HydrophobicContact CG-CB 4.34Å; L60-P86 HydrophobicContact CG-CG 4Å; N61-P86 HydrophobicContact CB-CB 4.18Å; N61-P86 PolarHBondContact OD1-O 3.1Å; F82-P86 WeakPolarHBondContact O-CD 3.2Å; V83-P86 VanDerWaalsContact O-CD 3.25Å; V83-P86 WeakPolarHBondContact O-CD 3.43Å; V83-P86 VanDerWaalsContact O-CG 3.27Å; V83-P86 WeakPolarHBondContact O-CG 3.28Å; P86-A90 PolarHBondContact O-N 3.29Å
87	L	97.9	Very high	96	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-44.1	172.1	-68.5	173	0	0	0	111.4	L60 A64 M74 V83 T84 L85 R89 A90 H91 Y181 D226	L60-L87 HydrophobicContact CD1-CD2 4.04Å; L60-L87 HydrophobicContact CD2-CG 4.38Å; L60-L87 HydrophobicContact CG-CD2 4.23Å; L60-L87 HydrophobicContact CG-CG 4.42Å; A64-L87 HydrophobicContact CB-CD2 3.96Å; M74-L87 HydrophobicContact CE-CD2 3.9Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.33Å; V83-L87 PolarHBondContact O-N 3.26Å; T84-L87 WeakPolarHBondContact O-CB 3.45Å; T84-L87 PolarHBondContact O-N 3.09Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.41Å; L87-R89 PolarHBondContact O-N 2.87Å; L87-A90 PolarHBondContact O-N 2.85Å; L87-H91 PolarHBondContact O-N 3.37Å; L87-H91 PolarHBondContact O-ND1 3.15Å; L87-Y181 HydrophobicContact CB-CE2 4.46Å; L87-Y181 WeakPolarHBondContact CB-OH 3.3Å; L87-Y181 WeakPolarHBondContact CD1-OH 3.38Å; L87-D226 HydrophobicContact CD1-CB 4.35Å
88	L	98.3	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-41.2	175.6	-74.2	175.3	0	0	0	112	T84 L85 A90 H91 A92 M98 L100 F122 A125 L130 I131 Y181	T84-L88 HydrophobicContact CG2-CD1 4.08Å; T84-L88 HydrophobicContact CG2-CG 4.03Å; T84-L88 WeakPolarHBondContact O-CB 3.37Å; T84-L88 WeakPolarHBondContact O-CG 3.42Å; T84-L88 PolarHBondContact O-N 2.94Å; L85-L88 PolarHBondContact O-N 3.08Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.95Å; L88-H91 PolarHBondContact O-N 2.88Å; L88-A92 VanDerWaalsContact O-CB 3.28Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 2.81Å; L88-M98 HydrophobicContact CD2-CE 3.6Å; L88-L100 HydrophobicContact CD2-CD1 4.4Å; L88-F122 HydrophobicContact CD1-CD1 4.36Å; L88-F122 HydrophobicContact CD1-CE1 3.92Å; L88-A125 HydrophobicContact CD1-CB 4Å; L88-L130 HydrophobicContact CB-CB 4.41Å; L88-L130 HydrophobicContact CB-CD1 4Å; L88-I131 HydrophobicContact CD1-CG2 4.13Å; L88-I131 HydrophobicContact CD2-CG2 3.98Å; L88-Y181 HydrophobicContact CD2-CD1 3.85Å; L88-Y181 HydrophobicContact CD2-CD2 3.89Å; L88-Y181 HydrophobicContact CD2-CE1 4.44Å; L88-Y181 HydrophobicContact CD2-CE2 4.46Å; L88-Y181 HydrophobicContact CD2-CG 3.54Å
89	R	97.8	Very high	97	Very high	62 Å²	62	31.1 Å²	31.1	23%	0.234	17%	0.166	C	C	.	.	H	α-helix	trans	-56.6	-45.8	175	-72	174	177.7	161.9	-0.5	111.6	N61 L85 L87 K93 E128 L130	N61-R89 WeakPolarHBondContact OD1-CB 3.31Å; L85-R89 WeakPolarHBondContact O-CG 3.32Å; L85-R89 PolarHBondContact O-N 3.07Å; L87-R89 PolarHBondContact O-N 2.87Å; R89-K93 PolarHBondContact O-N 2.89Å; R89-E128 IonicContact CZ-OE1 3.98Å; R89-E128 IonicContact CZ-OE2 3.09Å; R89-E128 IonicContact NE-OE1 3.11Å; R89-E128 IonicContact NE-OE2 3.59Å; R89-E128 PolarHBondContact NE-OE2 2.92Å; R89-E128 IonicContact NH2-OE1 3.29Å; R89-E128 PolarHBondContact NH2-OE1 3.47Å; R89-E128 IonicContact NH2-OE2 3.06Å; R89-E128 PolarHBondContact NH2-OE2 3.47Å; R89-L130 HydrophobicContact CG-CD1 3.62Å; R89-L130 HydrophobicContact CG-CD2 4.19Å
90	A	97.5	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-45.5	177.8	0	0	0	0	0	111.4	N61 A64 E65 L68 P86 L87 L88 K93 H94	N61-A90 VanDerWaalsContact OD1-CA 3.27Å; N61-A90 WeakPolarHBondContact OD1-CA 3.28Å; N61-A90 WeakPolarHBondContact OD1-CB 3.5Å; N61-A90 PolarHBondContact OD1-N 2.97Å; A64-A90 HydrophobicContact CB-CB 3.44Å; A64-A90 VanDerWaalsContact CB-CB 3.44Å; E65-A90 HydrophobicContact CG-CB 3.81Å; L68-A90 HydrophobicContact CD1-CB 4.18Å; P86-A90 PolarHBondContact O-N 3.29Å; L87-A90 PolarHBondContact O-N 2.85Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.95Å; A90-K93 WeakPolarHBondContact O-CB 3.47Å; A90-K93 PolarHBondContact O-N 3Å; A90-H94 PolarHBondContact O-CD2 2.88Å
91	H	98.2	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-40.3	-180	-76	75.7	0	0	0	112.4	L68 L87 L88 K93 H94 F95 M98 Y181	L68-H91 HydrophobicContact CD1-CB 4.39Å; L87-H91 PolarHBondContact O-N 3.37Å; L87-H91 PolarHBondContact O-ND1 3.15Å; L88-H91 PolarHBondContact O-N 2.88Å; H91-K93 VanDerWaalsContact C-N 3.25Å; H91-K93 PolarHBondContact O-N 2.93Å; H91-H94 PolarHBondContact O-N 3.44Å; H91-F95 HydrophobicContact CB-CD2 4.32Å; H91-F95 WeakPolarHBondContact O-CD2 3.35Å; H91-F95 PolarHBondContact O-N 3.32Å; H91-M98 HydrophobicContact CB-CE 3.55Å; H91-M98 HydrophobicContact CB-SD 3.71Å; H91-Y181 HydrophobicContact CB-CD2 4.34Å; H91-Y181 AromaticContact CD2-CD2 3.99Å; H91-Y181 AromaticContact CE1-CE2 3.68Å; H91-Y181 AromaticContact CG-CD2 3.92Å; H91-Y181 AromaticContact CG-CE2 3.88Å; H91-Y181 AromaticContact ND1-CE2 3.66Å; H91-Y181 AromaticContact NE2-CE2 3.91Å
92	A	97.8	Very high	97.6	Very high	17 Å²	17	25.4 Å²	25.4	14%	0.14	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-31.8	179.5	0	0	0	0	0	112.7	L88 H94 G96 M98 L130	L88-A92 VanDerWaalsContact O-CB 3.28Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 2.81Å; A92-H94 VanDerWaalsContact C-N 3.25Å; A92-H94 PolarHBondContact O-N 2.84Å; A92-G96 VanDerWaalsContact CA-O 3.31Å; A92-G96 WeakPolarHBondContact CA-O 3.37Å; A92-G96 CarbonylContact O-C 3.56Å; A92-G96 WeakPolarHBondContact O-CA 3.12Å; A92-G96 PolarHBondContact O-N 3.07Å; A92-M98 HydrophobicContact CB-CE 4.43Å; A92-L130 HydrophobicContact CB-CB 4.29Å; A92-L130 HydrophobicContact CB-CD2 3.72Å
93	K	96.4	Very high	97.8	Very high	137 Å²	137	25 Å²	25	60%	0.596	12%	0.124	S	C	*	.	H	α-helix	trans	-64.2	-29.4	173.5	-172.8	177.7	-177.8	174.9	0	113.2	E65 R89 A90 H91	E65-K93 HydrophobicContact CG-CD 4.19Å; E65-K93 VanDerWaalsContact OE1-CD 3.25Å; E65-K93 WeakPolarHBondContact OE1-CD 3.37Å; E65-K93 IonicContact OE1-NZ 3.04Å; E65-K93 PolarHBondContact OE1-NZ 3.31Å; E65-K93 VanDerWaalsContact OE1-NZ 3.11Å; E65-K93 IonicContact OE2-NZ 3.08Å; E65-K93 PolarHBondContact OE2-NZ 3.27Å; R89-K93 PolarHBondContact O-N 2.89Å; A90-K93 WeakPolarHBondContact O-CB 3.47Å; A90-K93 PolarHBondContact O-N 3Å; H91-K93 VanDerWaalsContact C-N 3.25Å; H91-K93 PolarHBondContact O-N 2.93Å
94	H	95.8	Very high	97.9	Very high	71 Å²	71	24 Å²	24	33%	0.329	12%	0.118	S	C	.	.	H	α-helix	trans	-98.1	-33	-177.1	-76.9	-86.6	0	0	0	113.6	L68 A69 A90 H91 A92	L68-H94 HydrophobicContact CB-CB 4.42Å; L68-H94 VanDerWaalsContact CB-CD2 3.48Å; L68-H94 WeakPolarHBondContact CB-CD2 3.24Å; L68-H94 HydrophobicContact CD1-CB 4.43Å; A69-H94 VanDerWaalsContact CA-CE1 3.49Å; A69-H94 WeakPolarHBondContact CA-CE1 3.2Å; A69-H94 PolarHBondContact N-CE1 2.76Å; A69-H94 VanDerWaalsContact N-CE1 3.32Å; A90-H94 PolarHBondContact O-CD2 2.88Å; H91-H94 PolarHBondContact O-N 3.44Å; A92-H94 VanDerWaalsContact C-N 3.25Å; A92-H94 PolarHBondContact O-N 2.84Å
95	F	96.6	Very high	97.9	Very high	63 Å²	63	24 Å²	24	28%	0.276	12%	0.118	S	C	.	.	H	α-helix	trans	-116	-2.1	-173.7	-56.1	-65.4	0	0	0	113.8	L68 H91 M98 P179 V223	L68-F95 HydrophobicContact CD2-CE2 3.9Å; L68-F95 HydrophobicContact CD2-CZ 4.34Å; H91-F95 HydrophobicContact CB-CD2 4.32Å; H91-F95 WeakPolarHBondContact O-CD2 3.35Å; H91-F95 PolarHBondContact O-N 3.32Å; F95-M98 HydrophobicContact CB-SD 4.47Å; F95-P179 HydrophobicContact CB-CB 4.17Å; F95-P179 HydrophobicContact CB-CG 4.45Å; F95-V223 HydrophobicContact CB-CG1 4.48Å; F95-V223 HydrophobicContact CB-CG2 4.33Å; F95-V223 HydrophobicContact CD1-CB 4.24Å; F95-V223 HydrophobicContact CD1-CG1 3.94Å; F95-V223 HydrophobicContact CD2-CB 3.73Å; F95-V223 HydrophobicContact CD2-CG1 4.3Å; F95-V223 HydrophobicContact CD2-CG2 3.83Å; F95-V223 HydrophobicContact CE1-CB 4.46Å; F95-V223 HydrophobicContact CE1-CG1 4.33Å; F95-V223 HydrophobicContact CE2-CB 3.95Å; F95-V223 HydrophobicContact CE2-CG2 4.45Å; F95-V223 HydrophobicContact CG-CB 3.91Å; F95-V223 HydrophobicContact CG-CG1 3.95Å; F95-V223 HydrophobicContact CG-CG2 4.07Å; F95-V223 HydrophobicContact CZ-CB 4.35Å
96	G	97.3	Very high	97.9	Very high	36 Å²	36	25.2 Å²	25.2	37%	0.371	12%	0.123	S	C	.	.			trans	74.8	-165.5	-172.3	0	0	0	0	0	112	A92 M98	A92-G96 VanDerWaalsContact CA-O 3.31Å; A92-G96 WeakPolarHBondContact CA-O 3.37Å; A92-G96 CarbonylContact O-C 3.56Å; A92-G96 WeakPolarHBondContact O-CA 3.12Å; A92-G96 PolarHBondContact O-N 3.07Å; G96-M98 WeakPolarHBondContact O-CG 3.43Å; G96-M98 PolarHBondContact O-N 2.96Å
97	K	98.3	Very high	97.9	Very high	111 Å²	111	25.2 Å²	25.2	48%	0.483	12%	0.123	S	C	.	.	S	Bend	trans	-62.4	133.3	175.1	-174.9	178.6	-62.4	-173	0	110.4	G129 D132 M178	K97-G129 VanDerWaalsContact CE-O 3.29Å; K97-G129 WeakPolarHBondContact CE-O 3.43Å; K97-G129 WeakPolarHBondContact CG-O 3.48Å; K97-D132 HydrophobicContact CD-CB 3.85Å; K97-D132 HydrophobicContact CG-CB 4.23Å; K97-M178 HydrophobicContact CG-CE 4.42Å; K97-M178 WeakPolarHBondContact O-CE 3.37Å
98	M	98.7	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-113.5	165.1	-172.3	-57.2	-179.5	-71.7	0	0	112.5	L88 H91 A92 F95 G96 L130 I131 D132 P179 Y181 V223	L88-M98 HydrophobicContact CD2-CE 3.6Å; H91-M98 HydrophobicContact CB-CE 3.55Å; H91-M98 HydrophobicContact CB-SD 3.71Å; A92-M98 HydrophobicContact CB-CE 4.43Å; F95-M98 HydrophobicContact CB-SD 4.47Å; G96-M98 WeakPolarHBondContact O-CG 3.43Å; G96-M98 PolarHBondContact O-N 2.96Å; M98-L130 PolarHBondContact N-O 3.26Å; M98-I131 CarbonylContact O-C 3.46Å; M98-I131 WeakPolarHBondContact O-CA 3.21Å; M98-D132 PolarHBondContact O-N 2.81Å; M98-P179 CarbonylContact C-O 3.49Å; M98-P179 VanDerWaalsContact CA-O 3.28Å; M98-P179 WeakPolarHBondContact CA-O 3.45Å; M98-P179 VanDerWaalsContact CB-O 3.29Å; M98-P179 WeakPolarHBondContact CB-O 3.5Å; M98-P179 HydrophobicContact CG-CB 4.2Å; M98-Y181 HydrophobicContact CE-CD2 4.49Å; M98-V223 HydrophobicContact CG-CG2 4.49Å; M98-V223 HydrophobicContact SD-CG2 3.58Å; M98-V223 VanDerWaalsContact SD-CG2 3.58Å
99	A	98.7	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.9	159.1	0	0	0	0	0	109.9	H135 V175 M178 P179 V180 Y181	A99-H135 HydrophobicContact CB-CB 4.32Å; A99-H135 WeakPolarHBondContact CB-O 3.26Å; A99-V175 HydrophobicContact CB-CB 3.96Å; A99-V175 HydrophobicContact CB-CG1 4.06Å; A99-M178 HydrophobicContact CB-CB 3.91Å; A99-M178 HydrophobicContact CB-SD 4.48Å; A99-P179 PolarHBondContact N-O 2.93Å; A99-V180 HydrophobicContact CB-CG2 4.17Å; A99-V180 WeakPolarHBondContact O-CA 3.29Å; A99-Y181 PolarHBondContact O-N 2.78Å
100	L	98.9	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.2	172.6	-170.5	73.2	0	0	0	109.8	L88 H102 F122 I131 S136 V137 F151 Y181 T183	L88-L100 HydrophobicContact CD2-CD1 4.4Å; L100-H102 HydrophobicContact CD2-CB 4.01Å; L100-H102 HydrophobicContact CG-CB 4.16Å; L100-F122 HydrophobicContact CD1-CE1 4.39Å; L100-F122 HydrophobicContact CD2-CD1 3.76Å; L100-F122 HydrophobicContact CD2-CD2 4.29Å; L100-F122 HydrophobicContact CD2-CE1 3.75Å; L100-F122 HydrophobicContact CD2-CE2 4.3Å; L100-F122 HydrophobicContact CD2-CG 4.08Å; L100-F122 HydrophobicContact CD2-CZ 4.06Å; L100-I131 HydrophobicContact CB-CD1 4.24Å; L100-I131 HydrophobicContact CB-CG2 4.31Å; L100-I131 HydrophobicContact CD2-CD1 3.89Å; L100-S136 WeakPolarHBondContact CB-OG 3.33Å; L100-S136 PolarHBondContact N-OG 3.37Å; L100-S136 CarbonylContact O-C 3.45Å; L100-S136 VanDerWaalsContact O-CA 3.24Å; L100-S136 WeakPolarHBondContact O-CA 3.07Å; L100-S136 WeakPolarHBondContact O-CB 3.48Å; L100-V137 PolarHBondContact O-N 3.23Å; L100-F151 HydrophobicContact CD2-CE1 4.43Å; L100-Y181 WeakPolarHBondContact CA-O 3.38Å; L100-Y181 HydrophobicContact CD1-CD1 4.15Å; L100-T183 HydrophobicContact CD1-CG2 3.88Å; L100-T183 HydrophobicContact CG-CG2 4.35Å
101	V	98.8	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.5	163	178.3	0	0	0	0	107.1	F103 V137 I139 V171 V175 V180 Y181 L182 T183 L217	V101-F103 HydrophobicContact CG1-CD2 4.12Å; V101-F103 HydrophobicContact CG1-CE2 3.59Å; V101-F103 HydrophobicContact CG1-CZ 4.42Å; V101-V137 HydrophobicContact CB-CG1 4.47Å; V101-V137 HydrophobicContact CG1-CG1 4.33Å; V101-V137 HydrophobicContact CG2-CG1 4.1Å; V101-I139 HydrophobicContact CG1-CD1 3.97Å; V101-V171 HydrophobicContact CG1-CG1 4.44Å; V101-V171 HydrophobicContact CG2-CG1 4.08Å; V101-V175 HydrophobicContact CG2-CG1 3.76Å; V101-V180 HydrophobicContact CB-CG1 4.2Å; V101-V180 HydrophobicContact CG2-CG1 3.6Å; V101-Y181 PolarHBondContact N-O 3.45Å; V101-L182 HydrophobicContact CB-CG 4.26Å; V101-L182 HydrophobicContact CG1-CG 4.29Å; V101-L182 WeakPolarHBondContact O-CA 3.48Å; V101-T183 PolarHBondContact O-N 2.92Å; V101-L217 HydrophobicContact CG1-CD1 3.87Å
102	H	98.8	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112.5	-169.7	176.7	-151.1	0	0	0	110.3	H81 L100 D104 H106 D108 F122 V137 Q138 I139 T183	H81-H102 AromaticContact CE1-CD2 3.64Å; H81-H102 AromaticContact CE1-NE2 3.17Å; H81-H102 PolarHBondContact CE1-NE2 3.41Å; H81-H102 AromaticContact ND1-NE2 3.99Å; H81-H102 AromaticContact NE2-NE2 3.93Å; L100-H102 HydrophobicContact CD2-CB 4.01Å; L100-H102 HydrophobicContact CG-CB 4.16Å; H102-D104 IonicContact CE1-OD2 2.86Å; H102-D104 WeakPolarHBondContact NE2-CB 3.23Å; H102-D104 IonicContact NE2-OD2 2.64Å; H102-D104 PolarHBondContact NE2-OD2 2.78Å; H102-H106 PolarHBondContact CE1-O 3.09Å; H102-H106 VanDerWaalsContact CE1-O 3.23Å; H102-D108 IonicContact NE2-OD2 2.94Å; H102-F122 AromaticContact CD2-CE2 3.85Å; H102-F122 AromaticContact CE1-CD2 3.71Å; H102-F122 AromaticContact CE1-CE2 3.57Å; H102-F122 AromaticContact ND1-CD2 3.99Å; H102-F122 AromaticContact ND1-CE2 3.97Å; H102-F122 AromaticContact NE2-CE2 3.44Å; H102-F122 WeakPolarHBondContact NE2-CE2 3.28Å; H102-V137 PolarHBondContact N-O 2.89Å; H102-Q138 HydrophobicContact CB-CG 4.2Å; H102-Q138 PolarHBondContact ND1-NE2 3.5Å; H102-Q138 CarbonylContact O-C 2.89Å; H102-Q138 VanDerWaalsContact O-CA 3.31Å; H102-Q138 WeakPolarHBondContact O-CA 3.11Å; H102-I139 PolarHBondContact O-N 3.28Å; H102-T183 HydrophobicContact CB-CG2 4.08Å
103	F	98.8	Very high	95.3	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118	172.2	-72	-96.3	0	0	0	109.2	V101 I139 L182 T183 F184 D185 C188 L213 V214 L217	V101-F103 HydrophobicContact CG1-CD2 4.12Å; V101-F103 HydrophobicContact CG1-CE2 3.59Å; V101-F103 HydrophobicContact CG1-CZ 4.42Å; F103-I139 WeakPolarHBondContact CA-O 3.27Å; F103-I139 HydrophobicContact CD1-CB 3.93Å; F103-I139 HydrophobicContact CD1-CD1 4.36Å; F103-I139 HydrophobicContact CD1-CG2 3.9Å; F103-I139 HydrophobicContact CE1-CB 4.1Å; F103-I139 HydrophobicContact CE1-CD1 3.84Å; F103-I139 HydrophobicContact CE1-CG2 3.8Å; F103-I139 HydrophobicContact CE2-CD1 4.01Å; F103-I139 HydrophobicContact CG-CB 4.41Å; F103-I139 HydrophobicContact CZ-CD1 3.64Å; F103-L182 HydrophobicContact CD2-CD2 4.27Å; F103-L182 HydrophobicContact CE2-CD1 4.43Å; F103-L182 HydrophobicContact CE2-CD2 4.44Å; F103-L182 HydrophobicContact CE2-CG 4.44Å; F103-T183 PolarHBondContact N-O 2.88Å; F103-F184 HydrophobicContact CB-CD2 3.53Å; F103-F184 HydrophobicContact CB-CE2 3.75Å; F103-F184 HydrophobicContact CB-CG 4.02Å; F103-F184 HydrophobicContact CB-CZ 4.4Å; F103-F184 HydrophobicContact CD1-CD2 4.23Å; F103-F184 AromaticContact CD1-CE2 3.86Å; F103-F184 HydrophobicContact CD1-CE2 3.86Å; F103-F184 AromaticContact CD2-CD2 3.8Å; F103-F184 HydrophobicContact CD2-CD2 3.8Å; F103-F184 HydrophobicContact CD2-CE2 4.26Å; F103-F184 AromaticContact CG-CD2 3.61Å; F103-F184 HydrophobicContact CG-CD2 3.61Å; F103-F184 AromaticContact CG-CE2 3.71Å; F103-F184 HydrophobicContact CG-CE2 3.71Å; F103-D185 WeakPolarHBondContact O-CB 3.49Å; F103-D185 PolarHBondContact O-N 3.49Å; F103-C188 HydrophobicContact CB-CB 4.08Å; F103-L213 HydrophobicContact CE1-CB 3.95Å; F103-L213 HydrophobicContact CE1-CD1 3.94Å; F103-L213 HydrophobicContact CZ-CB 4.06Å; F103-V214 HydrophobicContact CE2-CG2 4.31Å; F103-V214 HydrophobicContact CZ-CG2 4.24Å; F103-L217 HydrophobicContact CE2-CD1 4.03Å; F103-L217 HydrophobicContact CZ-CD1 4.14Å
104	D	98.7	Very high	94.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.			trans	-166.2	162.6	-173.8	-153.8	-53.1	0	0	0	111.5	H81 H102 H106 I139 G140 I141 D185	H81-D104 IonicContact CE1-OD2 3.18Å; H81-D104 PolarHBondContact CE1-OD2 3.33Å; H81-D104 IonicContact ND1-OD2 2.68Å; H81-D104 PolarHBondContact ND1-OD2 2.94Å; H102-D104 IonicContact CE1-OD2 2.86Å; H102-D104 WeakPolarHBondContact NE2-CB 3.23Å; H102-D104 IonicContact NE2-OD2 2.64Å; H102-D104 PolarHBondContact NE2-OD2 2.78Å; D104-H106 VanDerWaalsContact CB-O 3.31Å; D104-H106 WeakPolarHBondContact CB-O 3.42Å; D104-H106 WeakPolarHBondContact OD1-CA 3.31Å; D104-H106 WeakPolarHBondContact OD1-CB 3.37Å; D104-H106 IonicContact OD1-CG 3.98Å; D104-H106 PolarHBondContact OD1-N 3Å; D104-H106 IonicContact OD1-ND1 2.7Å; D104-H106 PolarHBondContact OD1-ND1 3.21Å; D104-H106 VanDerWaalsContact OD1-ND1 3.15Å; D104-I139 PolarHBondContact N-O 2.93Å; D104-G140 CarbonylContact O-C 3.06Å; D104-G140 WeakPolarHBondContact O-CA 3.37Å; D104-G140 VanDerWaalsContact O-O 3.08Å; D104-I141 HydrophobicContact CB-CD1 4.32Å; D104-I141 PolarHBondContact O-N 3.33Å; D104-D185 HydrophobicContact CB-CB 4.01Å; D104-D185 VanDerWaalsContact CG-CB 3.47Å; D104-D185 WeakPolarHBondContact OD2-CB 3.34Å
105	A	97.9	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-80.8	-22.9	161.9	0	0	0	0	0	113.4	I141 R142 T143 D187 V201	A105-I141 WeakPolarHBondContact O-CA 3.44Å; A105-R142 HydrophobicContact CB-CG 4.09Å; A105-R142 PolarHBondContact O-N 3.29Å; A105-T143 PolarHBondContact O-N 3.11Å; A105-T143 PolarHBondContact O-OG1 3.46Å; A105-D187 WeakPolarHBondContact CB-OD1 3.34Å; A105-D187 PolarHBondContact N-OD1 2.99Å; A105-D187 VanDerWaalsContact N-OD1 3.07Å; A105-V201 HydrophobicContact CB-CB 3.98Å; A105-V201 HydrophobicContact CB-CG2 3.91Å
106	H	98.1	Very high	92.9	Very high	29 Å²	29	35.6 Å²	35.6	13%	0.134	20%	0.203	C	C	.	.	S	Bend	trans	-114.8	148.9	-171.1	-49	87.9	0	0	0	111.6	H102 D104 D108 I141 T143 D187 T199	H102-H106 PolarHBondContact CE1-O 3.09Å; H102-H106 VanDerWaalsContact CE1-O 3.23Å; D104-H106 VanDerWaalsContact CB-O 3.31Å; D104-H106 WeakPolarHBondContact CB-O 3.42Å; D104-H106 WeakPolarHBondContact OD1-CA 3.31Å; D104-H106 WeakPolarHBondContact OD1-CB 3.37Å; D104-H106 IonicContact OD1-CG 3.98Å; D104-H106 PolarHBondContact OD1-N 3Å; D104-H106 IonicContact OD1-ND1 2.7Å; D104-H106 PolarHBondContact OD1-ND1 3.21Å; D104-H106 VanDerWaalsContact OD1-ND1 3.15Å; H106-D108 VanDerWaalsContact CB-OD1 3.24Å; H106-D108 WeakPolarHBondContact CB-OD1 3.17Å; H106-I141 VanDerWaalsContact C-CD1 3.45Å; H106-I141 WeakPolarHBondContact O-CD1 3.34Å; H106-T143 VanDerWaalsContact CD2-CG2 3.43Å; H106-T143 WeakPolarHBondContact CD2-CG2 3.28Å; H106-D187 IonicContact CE1-OD1 3.97Å; H106-D187 IonicContact CE1-OD2 3.76Å; H106-D187 PolarHBondContact CE1-OD2 3.06Å; H106-D187 IonicContact ND1-OD1 3Å; H106-D187 IonicContact ND1-OD2 3.11Å; H106-D187 PolarHBondContact ND1-OD2 3.09Å; H106-D187 VanDerWaalsContact ND1-OD2 3.11Å; H106-T199 PolarHBondContact CE1-O 2.86Å
107	T	97.5	Very high	92.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.			trans	-82.4	-23.7	179	62.6	0	0	0	0	112.8	T109 Q138 I141 F145	T107-T109 WeakPolarHBondContact CB-OG1 3.32Å; T107-T109 WeakPolarHBondContact O-CG2 3.47Å; T107-T109 PolarHBondContact O-N 2.67Å; T107-T109 VanDerWaalsContact O-N 3.09Å; T107-T109 PolarHBondContact OG1-OG1 3.49Å; T107-Q138 PolarHBondContact O-NE2 2.85Å; T107-I141 HydrophobicContact CG2-CD1 4.12Å; T107-I141 HydrophobicContact CG2-CG1 4.16Å; T107-I141 HydrophobicContact CG2-CG2 3.65Å; T107-F145 HydrophobicContact CG2-CB 3.57Å; T107-F145 HydrophobicContact CG2-CD1 4Å; T107-F145 HydrophobicContact CG2-CD2 3.96Å; T107-F145 HydrophobicContact CG2-CG 3.59Å
108	D	97.2	Very high	92.2	Very high	8 Å²	8	34 Å²	34	4%	0.043	19%	0.188	C	C	.	.			trans	49.2	31.1	-173	-49.5	-26	0	0	0	115.2	H81 H102 H106 H118 G119 T120 M121 F122 Y123	H81-D108 IonicContact CE1-OD2 3.97Å; H81-D108 IonicContact CG-OD2 3.98Å; H81-D108 IonicContact ND1-OD2 3.15Å; H81-D108 PolarHBondContact ND1-OD2 2.89Å; H102-D108 IonicContact NE2-OD2 2.94Å; H106-D108 VanDerWaalsContact CB-OD1 3.24Å; H106-D108 WeakPolarHBondContact CB-OD1 3.17Å; D108-H118 VanDerWaalsContact CG-O 3.23Å; D108-G119 CarbonylContact C-O 3.59Å; D108-G119 WeakPolarHBondContact CA-O 3.33Å; D108-G119 CarbonylContact O-C 3.52Å; D108-T120 CarbonylContact O-C 3.49Å; D108-T120 WeakPolarHBondContact O-CA 3.49Å; D108-M121 HydrophobicContact CB-CE 3.63Å; D108-M121 HydrophobicContact CB-SD 3.72Å; D108-M121 VanDerWaalsContact OD2-CE 3.25Å; D108-M121 WeakPolarHBondContact OD2-CE 3.48Å; D108-F122 HydrophobicContact CB-CD2 3.79Å; D108-F122 HydrophobicContact CB-CE2 4.29Å; D108-F122 WeakPolarHBondContact O-CA 3.39Å; D108-F122 WeakPolarHBondContact O-CB 3.04Å; D108-F122 PolarHBondContact O-N 2.85Å; D108-Y123 PolarHBondContact O-N 3.08Å
109	T	96	Very high	91.9	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.098	19%	0.193	C	C	.	.			trans	-106.5	16.8	178.6	56.4	0	0	0	0	112.4	T107 F122 N149 F151	T107-T109 WeakPolarHBondContact CB-OG1 3.32Å; T107-T109 WeakPolarHBondContact O-CG2 3.47Å; T107-T109 PolarHBondContact O-N 2.67Å; T107-T109 VanDerWaalsContact O-N 3.09Å; T107-T109 PolarHBondContact OG1-OG1 3.49Å; T109-F122 HydrophobicContact CG2-CB 3.97Å; T109-N149 HydrophobicContact CG2-CB 4.48Å; T109-F151 HydrophobicContact CG2-CD2 3.69Å; T109-F151 HydrophobicContact CG2-CE2 3.46Å; T109-F151 VanDerWaalsContact CG2-CE2 3.46Å; T109-F151 HydrophobicContact CG2-CZ 4.4Å
110	Y	92.1	Very high	91.6	Very high	70 Å²	70	34.8 Å²	34.8	28%	0.275	20%	0.196	S	C	.	.			trans	-72.3	134.5	-174.1	-55.6	-68.4	0	0	0	111.3	N112 G119 T120 T143 E144	Y110-N112 WeakPolarHBondContact CB-OD1 3.45Å; Y110-G119 WeakPolarHBondContact CD2-O 3.17Å; Y110-G119 PolarHBondContact N-O 3.17Å; Y110-G119 VanDerWaalsContact N-O 3.16Å; Y110-T120 WeakPolarHBondContact O-CB 3.46Å; Y110-T120 WeakPolarHBondContact O-CG2 3.49Å; Y110-T143 PolarHBondContact OH-OG1 3.27Å; Y110-E144 PolarHBondContact OH-O 3.27Å
111	A	90	Very high	91.4	Very high	66 Å²	66	34.9 Å²	34.9	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.5	-174.6	0	0	0	0	0	114.3	Y123	A111-Y123 HydrophobicContact CB-CD1 4.36Å; A111-Y123 HydrophobicContact CB-CD2 4.07Å; A111-Y123 HydrophobicContact CB-CE1 3.84Å; A111-Y123 HydrophobicContact CB-CE2 3.56Å; A111-Y123 HydrophobicContact CB-CG 4.44Å; A111-Y123 VanDerWaalsContact CB-CZ 3.41Å
112	N	83.3	Confident	91.3	Very high	145 Å²	145	34.9 Å²	34.9	78%	0.775	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	1.6	-166.7	63.4	-35.4	0	0	0	114.6	Y110	Y110-N112 WeakPolarHBondContact CB-OD1 3.45Å
113	G	74	Confident	91.1	Very high	33 Å²	33	39.3 Å²	39.3	34%	0.34	21%	0.213	S	C	.	.	S	Bend	trans	-83.5	178.1	179	0	0	0	0	0	113.9	D117	G113-D117 WeakPolarHBondContact CA-OD2 3.26Å
114	C	79.1	Confident	90.9	Very high	55 Å²	55	41.3 Å²	41.3	37%	0.372	23%	0.225	S	C	.	.			trans	-92.2	174.5	177.7	74.1	0	0	0	0	111.7	F116 D117	C114-F116 PolarHBondContact O-N 2.76Å; C114-F116 VanDerWaalsContact O-N 3.11Å; C114-F116 PolarHBondContact SG-O 3.24Å; C114-D117 WeakPolarHBondContact O-CB 3.47Å
115	E	75.9	Confident	90.8	Very high	129 Å²	129	41.3 Å²	41.3	60%	0.603	23%	0.225	S	C	*	.	S	Bend	trans	-58.7	-25	-177.8	-174.7	179.6	-167.2	0	0	114.3	R57 F82	R57-E115 IonicContact CZ-OE1 2.79Å; R57-E115 IonicContact NH1-OE1 3.99Å; R57-E115 PolarHBondContact NH1-OE1 3.07Å; R57-E115 IonicContact NH2-OE1 2.96Å; R57-E115 PolarHBondContact NH2-OE1 3.31Å; F82-E115 VanDerWaalsContact CE2-O 3.27Å; F82-E115 WeakPolarHBondContact CE2-O 3.24Å; F82-E115 WeakPolarHBondContact CZ-O 3.46Å
116	F	82.9	Confident	90.8	Very high	48 Å²	48	42.9 Å²	42.9	21%	0.211	24%	0.236	C	C	.	.	S	Bend	trans	-119.1	87.1	177	-73.2	-86.4	0	0	0	109.5	F50 R57 F82 C114	F50-F116 HydrophobicContact CE2-CD2 4.18Å; F50-F116 HydrophobicContact CE2-CG 4.29Å; F50-F116 HydrophobicContact CZ-CB 3.88Å; F50-F116 HydrophobicContact CZ-CD1 4.48Å; F50-F116 HydrophobicContact CZ-CD2 4.33Å; F50-F116 AromaticContact CZ-CG 3.99Å; F50-F116 HydrophobicContact CZ-CG 3.99Å; R57-F116 HydrophobicContact CG-CE1 3.87Å; R57-F116 HydrophobicContact CG-CZ 4.33Å; F82-F116 HydrophobicContact CD1-CD1 4.27Å; F82-F116 AromaticContact CE1-CD1 3.41Å; F82-F116 HydrophobicContact CE1-CD1 3.41Å; F82-F116 VanDerWaalsContact CE1-CD1 3.41Å; F82-F116 AromaticContact CE1-CE1 3.8Å; F82-F116 HydrophobicContact CE1-CE1 3.8Å; F82-F116 HydrophobicContact CE1-CG 4.4Å; F82-F116 AromaticContact CZ-CD1 3.59Å; F82-F116 HydrophobicContact CZ-CD1 3.59Å; F82-F116 HydrophobicContact CZ-CE1 4.07Å; F82-F116 HydrophobicContact CZ-CG 4.22Å; C114-F116 PolarHBondContact O-N 2.76Å; C114-F116 VanDerWaalsContact O-N 3.11Å; C114-F116 PolarHBondContact SG-O 3.24Å
117	D	87.5	Confident	90.6	Very high	49 Å²	49	48 Å²	48	26%	0.262	26%	0.257	S	S	.	.			trans	-155.4	118.1	-173.2	-168.1	-30.5	0	0	0	110.4	G113 C114 G119 T120	G113-D117 WeakPolarHBondContact CA-OD2 3.26Å; C114-D117 WeakPolarHBondContact O-CB 3.47Å; D117-G119 PolarHBondContact O-N 3.02Å; D117-G119 PolarHBondContact OD1-N 3.43Å; D117-T120 HydrophobicContact CB-CG2 4.1Å; D117-T120 PolarHBondContact O-N 3.24Å; D117-T120 PolarHBondContact O-OG1 2.83Å; D117-T120 VanDerWaalsContact O-OG1 3.13Å
118	H	92.4	Very high	90.6	Very high	64 Å²	64	51.8 Å²	51.8	30%	0.296	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.1	179.3	74.1	153.3	0	0	0	114	D80 H81 F82 D108 M121 E229	D80-H118 HydrophobicContact CB-CB 4.34Å; H81-H118 HydrophobicContact CB-CB 4.21Å; F82-H118 HydrophobicContact CB-CB 4.13Å; D108-H118 VanDerWaalsContact CG-O 3.23Å; H118-M121 VanDerWaalsContact C-SD 3.54Å; H118-M121 WeakPolarHBondContact O-CE 3.28Å; H118-E229 IonicContact CE1-OE1 3.65Å; H118-E229 IonicContact CG-OE1 3.86Å; H118-E229 IonicContact ND1-OE1 3.12Å; H118-E229 PolarHBondContact ND1-OE1 3.23Å
119	G	92.5	Very high	90.6	Very high	9 Å²	9	52.6 Å²	52.6	9%	0.093	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4.8	173.8	0	0	0	0	0	114.5	D108 Y110 D117	D108-G119 CarbonylContact C-O 3.59Å; D108-G119 WeakPolarHBondContact CA-O 3.33Å; D108-G119 CarbonylContact O-C 3.52Å; Y110-G119 WeakPolarHBondContact CD2-O 3.17Å; Y110-G119 PolarHBondContact N-O 3.17Å; Y110-G119 VanDerWaalsContact N-O 3.16Å; D117-G119 PolarHBondContact O-N 3.02Å; D117-G119 PolarHBondContact OD1-N 3.43Å
120	T	92.9	Very high	90.7	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-6.5	-169	69.3	0	0	0	0	115.8	D108 Y110 D117 F122 Y123 T124	D108-T120 CarbonylContact O-C 3.49Å; D108-T120 WeakPolarHBondContact O-CA 3.49Å; Y110-T120 WeakPolarHBondContact O-CB 3.46Å; Y110-T120 WeakPolarHBondContact O-CG2 3.49Å; D117-T120 HydrophobicContact CB-CG2 4.1Å; D117-T120 PolarHBondContact O-N 3.24Å; D117-T120 PolarHBondContact O-OG1 2.83Å; D117-T120 VanDerWaalsContact O-OG1 3.13Å; T120-F122 VanDerWaalsContact C-N 3.26Å; T120-F122 PolarHBondContact O-N 2.94Å; T120-Y123 VanDerWaalsContact O-CB 3.25Å; T120-Y123 WeakPolarHBondContact O-CB 3.43Å; T120-Y123 PolarHBondContact O-N 3.04Å; T120-T124 PolarHBondContact O-N 3.06Å; T120-T124 PolarHBondContact O-OG1 3.24Å
121	M	94.6	Very high	91	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-30.6	-175.6	63.2	-65	-170.2	0	0	113.1	H81 L85 D108 H118 Y123 T124 A125	H81-M121 HydrophobicContact CB-CE 3.46Å; H81-M121 VanDerWaalsContact CB-CE 3.46Å; H81-M121 WeakPolarHBondContact CD2-CE 3.29Å; H81-M121 WeakPolarHBondContact O-CE 3.38Å; L85-M121 HydrophobicContact CB-CB 3.81Å; L85-M121 HydrophobicContact CD1-CB 4.41Å; L85-M121 HydrophobicContact CD2-CB 4.21Å; L85-M121 HydrophobicContact CG-CB 4.35Å; D108-M121 HydrophobicContact CB-CE 3.63Å; D108-M121 HydrophobicContact CB-SD 3.72Å; D108-M121 VanDerWaalsContact OD2-CE 3.25Å; D108-M121 WeakPolarHBondContact OD2-CE 3.48Å; H118-M121 VanDerWaalsContact C-SD 3.54Å; H118-M121 WeakPolarHBondContact O-CE 3.28Å; M121-Y123 VanDerWaalsContact C-N 3.33Å; M121-T124 PolarHBondContact O-N 3.17Å; M121-T124 VanDerWaalsContact O-N 3.13Å; M121-A125 WeakPolarHBondContact O-CB 3.12Å; M121-A125 PolarHBondContact O-N 3.27Å
122	F	96.9	Very high	91.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-83.3	-8.4	176	-56.7	-41.9	0	0	0	113.6	H81 T84 L88 L100 H102 D108 T109 T120 P126 I131 F151 T183	H81-F122 AromaticContact CE1-CE2 3.96Å; H81-F122 AromaticContact NE2-CE2 3.7Å; H81-F122 AromaticContact NE2-CZ 3.59Å; T84-F122 HydrophobicContact CG2-CE1 3.97Å; T84-F122 HydrophobicContact CG2-CZ 3.99Å; L88-F122 HydrophobicContact CD1-CD1 4.36Å; L88-F122 HydrophobicContact CD1-CE1 3.92Å; L100-F122 HydrophobicContact CD1-CE1 4.39Å; L100-F122 HydrophobicContact CD2-CD1 3.76Å; L100-F122 HydrophobicContact CD2-CD2 4.29Å; L100-F122 HydrophobicContact CD2-CE1 3.75Å; L100-F122 HydrophobicContact CD2-CE2 4.3Å; L100-F122 HydrophobicContact CD2-CG 4.08Å; L100-F122 HydrophobicContact CD2-CZ 4.06Å; H102-F122 AromaticContact CD2-CE2 3.85Å; H102-F122 AromaticContact CE1-CD2 3.71Å; H102-F122 AromaticContact CE1-CE2 3.57Å; H102-F122 AromaticContact ND1-CD2 3.99Å; H102-F122 AromaticContact ND1-CE2 3.97Å; H102-F122 AromaticContact NE2-CE2 3.44Å; H102-F122 WeakPolarHBondContact NE2-CE2 3.28Å; D108-F122 HydrophobicContact CB-CD2 3.79Å; D108-F122 HydrophobicContact CB-CE2 4.29Å; D108-F122 WeakPolarHBondContact O-CA 3.39Å; D108-F122 WeakPolarHBondContact O-CB 3.04Å; D108-F122 PolarHBondContact O-N 2.85Å; T109-F122 HydrophobicContact CG2-CB 3.97Å; T120-F122 VanDerWaalsContact C-N 3.26Å; T120-F122 PolarHBondContact O-N 2.94Å; F122-P126 WeakPolarHBondContact O-CD 3.31Å; F122-P126 WeakPolarHBondContact O-CG 3.19Å; F122-I131 HydrophobicContact CD1-CD1 4.3Å; F122-F151 HydrophobicContact CB-CZ 4.34Å; F122-T183 HydrophobicContact CE2-CG2 4.43Å; F122-T183 HydrophobicContact CZ-CG2 3.92Å
123	Y	94.8	Very high	92.1	Very high	94 Å²	94	42 Å²	42	37%	0.369	23%	0.225	S	C	.	.	H	α-helix	trans	-72.7	-33.1	159.4	-177.3	-110.7	0	0	0	111.8	D108 A111 T120 M121 K127	D108-Y123 PolarHBondContact O-N 3.08Å; A111-Y123 HydrophobicContact CB-CD1 4.36Å; A111-Y123 HydrophobicContact CB-CD2 4.07Å; A111-Y123 HydrophobicContact CB-CE1 3.84Å; A111-Y123 HydrophobicContact CB-CE2 3.56Å; A111-Y123 HydrophobicContact CB-CG 4.44Å; A111-Y123 VanDerWaalsContact CB-CZ 3.41Å; T120-Y123 VanDerWaalsContact O-CB 3.25Å; T120-Y123 WeakPolarHBondContact O-CB 3.43Å; T120-Y123 PolarHBondContact O-N 3.04Å; M121-Y123 VanDerWaalsContact C-N 3.33Å; Y123-K127 PolarHBondContact OH-NZ 2.99Å
124	T	94.4	Very high	93.2	Very high	42 Å²	42	46.1 Å²	46.1	26%	0.258	24%	0.24	S	C	.	.	H	α-helix	trans	-85.6	-43.7	-176	-59.8	0	0	0	0	112.5	L85 T120 M121 K127 E128	L85-T124 HydrophobicContact CD1-CG2 4.41Å; L85-T124 HydrophobicContact CD2-CG2 4.33Å; T120-T124 PolarHBondContact O-N 3.06Å; T120-T124 PolarHBondContact O-OG1 3.24Å; M121-T124 PolarHBondContact O-N 3.17Å; M121-T124 VanDerWaalsContact O-N 3.13Å; T124-K127 WeakPolarHBondContact O-CB 3.42Å; T124-K127 PolarHBondContact O-N 2.72Å; T124-E128 HydrophobicContact CG2-CG 4.28Å; T124-E128 WeakPolarHBondContact CG2-OE1 3.14Å; T124-E128 PolarHBondContact O-N 3.47Å; T124-E128 VanDerWaalsContact O-N 3.11Å
125	A	97.1	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-40.9	-173	0	0	0	0	0	114.8	L85 L88 M121 K127 E128 G129 L130 I131	L85-A125 HydrophobicContact CD1-CB 4.18Å; L88-A125 HydrophobicContact CD1-CB 4Å; M121-A125 WeakPolarHBondContact O-CB 3.12Å; M121-A125 PolarHBondContact O-N 3.27Å; A125-K127 PolarHBondContact O-N 2.87Å; A125-E128 PolarHBondContact O-N 3.33Å; A125-G129 PolarHBondContact O-N 2.78Å; A125-L130 HydrophobicContact CB-CB 4.37Å; A125-L130 HydrophobicContact CB-CD1 4.12Å; A125-L130 WeakPolarHBondContact O-CB 3.37Å; A125-L130 PolarHBondContact O-N 3.08Å; A125-I131 HydrophobicContact CB-CD1 3.78Å; A125-I131 HydrophobicContact CB-CG1 3.91Å
126	P	96.8	Very high	95.2	Very high	34 Å²	34	40.8 Å²	40.8	22%	0.221	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-37	173.1	-24.1	34.9	0	0	0	113.4	F122 E128 G129 I131 P133 F151	F122-P126 WeakPolarHBondContact O-CD 3.31Å; F122-P126 WeakPolarHBondContact O-CG 3.19Å; P126-E128 VanDerWaalsContact C-N 3.31Å; P126-E128 PolarHBondContact O-N 2.97Å; P126-G129 WeakPolarHBondContact O-CA 3.44Å; P126-G129 PolarHBondContact O-N 2.92Å; P126-I131 HydrophobicContact CG-CD1 4.07Å; P126-I131 HydrophobicContact CG-CG1 3.89Å; P126-P133 HydrophobicContact CB-CG 4.37Å; P126-F151 HydrophobicContact CG-CE2 4.21Å; P126-F151 HydrophobicContact CG-CZ 3.75Å
127	K	95	Very high	96	Very high	135 Å²	135	38.5 Å²	38.5	59%	0.587	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-32	179.9	-62.7	179.5	176.6	-170.5	0	112.5	Y123 T124 A125 G129	Y123-K127 PolarHBondContact OH-NZ 2.99Å; T124-K127 WeakPolarHBondContact O-CB 3.42Å; T124-K127 PolarHBondContact O-N 2.72Å; A125-K127 PolarHBondContact O-N 2.87Å; K127-G129 PolarHBondContact O-N 2.61Å
128	E	96.5	Very high	96.5	Very high	80 Å²	80	36.2 Å²	36.2	37%	0.374	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.8	171.5	-71.6	-177	-157.4	0	0	112.9	R89 T124 A125 P126 L130	R89-E128 IonicContact CZ-OE1 3.98Å; R89-E128 IonicContact CZ-OE2 3.09Å; R89-E128 IonicContact NE-OE1 3.11Å; R89-E128 IonicContact NE-OE2 3.59Å; R89-E128 PolarHBondContact NE-OE2 2.92Å; R89-E128 IonicContact NH2-OE1 3.29Å; R89-E128 PolarHBondContact NH2-OE1 3.47Å; R89-E128 IonicContact NH2-OE2 3.06Å; R89-E128 PolarHBondContact NH2-OE2 3.47Å; T124-E128 HydrophobicContact CG2-CG 4.28Å; T124-E128 WeakPolarHBondContact CG2-OE1 3.14Å; T124-E128 PolarHBondContact O-N 3.47Å; T124-E128 VanDerWaalsContact O-N 3.11Å; A125-E128 PolarHBondContact O-N 3.33Å; P126-E128 VanDerWaalsContact C-N 3.31Å; P126-E128 PolarHBondContact O-N 2.97Å; E128-L130 VanDerWaalsContact C-N 3.26Å; E128-L130 HydrophobicContact CB-CD1 4.11Å; E128-L130 HydrophobicContact CB-CD2 4.12Å; E128-L130 HydrophobicContact CB-CG 3.71Å; E128-L130 PolarHBondContact O-N 2.82Å
129	G	97.5	Very high	96.8	Very high	25 Å²	25	33.2 Å²	33.2	26%	0.258	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	18.4	-179.9	0	0	0	0	0	114.1	K97 A125 P126 K127	K97-G129 VanDerWaalsContact CE-O 3.29Å; K97-G129 WeakPolarHBondContact CE-O 3.43Å; K97-G129 WeakPolarHBondContact CG-O 3.48Å; A125-G129 PolarHBondContact O-N 2.78Å; P126-G129 WeakPolarHBondContact O-CA 3.44Å; P126-G129 PolarHBondContact O-N 2.92Å; K127-G129 PolarHBondContact O-N 2.61Å
130	L	98.3	Very high	97.1	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.068	17%	0.169	C	C	.	.	S	Bend	trans	-74.7	-40.9	-177.7	-50	179.8	0	0	0	111.6	L85 L88 R89 A92 M98 A125 E128	L85-L130 HydrophobicContact CD1-CD1 4.1Å; L88-L130 HydrophobicContact CB-CB 4.41Å; L88-L130 HydrophobicContact CB-CD1 4Å; R89-L130 HydrophobicContact CG-CD1 3.62Å; R89-L130 HydrophobicContact CG-CD2 4.19Å; A92-L130 HydrophobicContact CB-CB 4.29Å; A92-L130 HydrophobicContact CB-CD2 3.72Å; M98-L130 PolarHBondContact N-O 3.26Å; A125-L130 HydrophobicContact CB-CB 4.37Å; A125-L130 HydrophobicContact CB-CD1 4.12Å; A125-L130 WeakPolarHBondContact O-CB 3.37Å; A125-L130 PolarHBondContact O-N 3.08Å; E128-L130 VanDerWaalsContact C-N 3.26Å; E128-L130 HydrophobicContact CB-CD1 4.11Å; E128-L130 HydrophobicContact CB-CD2 4.12Å; E128-L130 HydrophobicContact CB-CG 3.71Å; E128-L130 PolarHBondContact O-N 2.82Å
131	I	98.5	Very high	97.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-127.6	150.5	-178.9	62.2	179.1	0	0	0	111	L88 M98 L100 F122 A125 P126 F151	L88-I131 HydrophobicContact CD1-CG2 4.13Å; L88-I131 HydrophobicContact CD2-CG2 3.98Å; M98-I131 CarbonylContact O-C 3.46Å; M98-I131 WeakPolarHBondContact O-CA 3.21Å; L100-I131 HydrophobicContact CB-CD1 4.24Å; L100-I131 HydrophobicContact CB-CG2 4.31Å; L100-I131 HydrophobicContact CD2-CD1 3.89Å; F122-I131 HydrophobicContact CD1-CD1 4.3Å; A125-I131 HydrophobicContact CB-CD1 3.78Å; A125-I131 HydrophobicContact CB-CG1 3.91Å; P126-I131 HydrophobicContact CG-CD1 4.07Å; P126-I131 HydrophobicContact CG-CG1 3.89Å; I131-F151 HydrophobicContact CD1-CE1 3.9Å; I131-F151 HydrophobicContact CD1-CZ 3.86Å
132	D	98.4	Very high	97.5	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.16	18%	0.175	C	C	.	.			trans	-99.2	111	171.8	-172.2	-8.4	0	0	0	110.3	K97 M98 N134 H135 S136 M178	K97-D132 HydrophobicContact CD-CB 3.85Å; K97-D132 HydrophobicContact CG-CB 4.23Å; M98-D132 PolarHBondContact O-N 2.81Å; D132-N134 PolarHBondContact O-N 3.27Å; D132-N134 PolarHBondContact OD1-N 3.42Å; D132-N134 VanDerWaalsContact OD1-N 3.08Å; D132-N134 PolarHBondContact OD1-ND2 3.25Å; D132-H135 HydrophobicContact CB-CB 4.35Å; D132-H135 CarbonylContact O-C 3.58Å; D132-H135 PolarHBondContact O-N 2.82Å; D132-H135 VanDerWaalsContact O-N 3.09Å; D132-H135 IonicContact OD2-CE1 3.57Å; D132-H135 IonicContact OD2-CG 3.96Å; D132-H135 IonicContact OD2-ND1 2.83Å; D132-H135 PolarHBondContact OD2-ND1 2.78Å; D132-S136 WeakPolarHBondContact O-CB 3.47Å; D132-S136 PolarHBondContact O-N 2.96Å; D132-S136 PolarHBondContact O-OG 3.28Å; D132-M178 HydrophobicContact CB-CE 3.92Å; D132-M178 HydrophobicContact CB-SD 4.31Å
133	P	97.7	Very high	97.5	Very high	30 Å²	30	36.3 Å²	36.3	20%	0.195	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.4	-177.9	27	-35.2	0	0	0	112.8	P126 H135 S136 G150 F151	P126-P133 HydrophobicContact CB-CG 4.37Å; P133-H135 PolarHBondContact O-N 3.42Å; P133-S136 PolarHBondContact O-N 3.35Å; P133-G150 CarbonylContact C-O 3.56Å; P133-G150 WeakPolarHBondContact CB-O 3.39Å; P133-F151 HydrophobicContact CB-CD1 4.28Å; P133-F151 HydrophobicContact CB-CD2 4.37Å; P133-F151 HydrophobicContact CB-CE1 4.17Å; P133-F151 HydrophobicContact CB-CE2 4.25Å; P133-F151 HydrophobicContact CB-CG 4.38Å; P133-F151 HydrophobicContact CB-CZ 4.16Å
134	N	97.5	Very high	97.5	Very high	121 Å²	121	39.8 Å²	39.8	65%	0.647	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-70.7	-20.6	177.7	-62.6	-59.6	0	0	0	113.7	D132	D132-N134 PolarHBondContact O-N 3.27Å; D132-N134 PolarHBondContact OD1-N 3.42Å; D132-N134 VanDerWaalsContact OD1-N 3.08Å; D132-N134 PolarHBondContact OD1-ND2 3.25Å
135	H	98.4	Very high	97.4	Very high	71 Å²	71	39 Å²	39	33%	0.329	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-111.4	19.3	176.6	-63.9	94.3	0	0	0	111.4	A99 D132 P133 I174 M178	A99-H135 HydrophobicContact CB-CB 4.32Å; A99-H135 WeakPolarHBondContact CB-O 3.26Å; D132-H135 HydrophobicContact CB-CB 4.35Å; D132-H135 CarbonylContact O-C 3.58Å; D132-H135 PolarHBondContact O-N 2.82Å; D132-H135 VanDerWaalsContact O-N 3.09Å; D132-H135 IonicContact OD2-CE1 3.57Å; D132-H135 IonicContact OD2-CG 3.96Å; D132-H135 IonicContact OD2-ND1 2.83Å; D132-H135 PolarHBondContact OD2-ND1 2.78Å; P133-H135 PolarHBondContact O-N 3.42Å; H135-I174 WeakPolarHBondContact CA-O 3.13Å; H135-I174 PolarHBondContact CD2-O 2.76Å; H135-M178 HydrophobicContact CB-SD 3.31Å; H135-M178 WeakPolarHBondContact CB-SD 3.34Å
136	S	98.7	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.			trans	-119.7	145.4	-177.5	-63.2	0	0	0	0	111	L100 D132 P133 F151 T152	L100-S136 WeakPolarHBondContact CB-OG 3.33Å; L100-S136 PolarHBondContact N-OG 3.37Å; L100-S136 CarbonylContact O-C 3.45Å; L100-S136 VanDerWaalsContact O-CA 3.24Å; L100-S136 WeakPolarHBondContact O-CA 3.07Å; L100-S136 WeakPolarHBondContact O-CB 3.48Å; D132-S136 WeakPolarHBondContact O-CB 3.47Å; D132-S136 PolarHBondContact O-N 2.96Å; D132-S136 PolarHBondContact O-OG 3.28Å; P133-S136 PolarHBondContact O-N 3.35Å; S136-F151 VanDerWaalsContact CB-CD1 3.44Å; S136-T152 PolarHBondContact O-N 3.33Å
137	V	98.7	Very high	96.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.8	-175.5	62.4	0	0	0	0	111	L100 V101 H102 I139 T152 L154 V171 I174	L100-V137 PolarHBondContact O-N 3.23Å; V101-V137 HydrophobicContact CB-CG1 4.47Å; V101-V137 HydrophobicContact CG1-CG1 4.33Å; V101-V137 HydrophobicContact CG2-CG1 4.1Å; H102-V137 PolarHBondContact N-O 2.89Å; V137-I139 HydrophobicContact CG1-CD1 4.36Å; V137-I139 HydrophobicContact CG1-CG1 4.49Å; V137-I139 HydrophobicContact CG2-CG1 4.04Å; V137-T152 CarbonylContact C-O 3.55Å; V137-T152 VanDerWaalsContact CA-O 3.28Å; V137-T152 WeakPolarHBondContact CA-O 3.47Å; V137-T152 HydrophobicContact CG2-CG2 4.49Å; V137-L154 HydrophobicContact CG2-CD1 3.82Å; V137-L154 HydrophobicContact CG2-CG 3.8Å; V137-V171 HydrophobicContact CG1-CB 4.43Å; V137-V171 HydrophobicContact CG1-CG1 3.95Å; V137-V171 HydrophobicContact CG1-CG2 4.08Å; V137-V171 HydrophobicContact CG2-CG2 4.37Å; V137-I174 HydrophobicContact CB-CD1 3.97Å; V137-I174 HydrophobicContact CB-CG2 4.19Å; V137-I174 HydrophobicContact CG2-CD1 3.77Å
138	Q	98.8	Very high	96.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	174.5	-52.7	-173.9	-51.4	0	0	109.1	H102 T107 I141 N149 F151 T152 V153 L154	H102-Q138 HydrophobicContact CB-CG 4.2Å; H102-Q138 PolarHBondContact ND1-NE2 3.5Å; H102-Q138 CarbonylContact O-C 2.89Å; H102-Q138 VanDerWaalsContact O-CA 3.31Å; H102-Q138 WeakPolarHBondContact O-CA 3.11Å; T107-Q138 PolarHBondContact O-NE2 2.85Å; Q138-I141 HydrophobicContact CB-CD1 3.93Å; Q138-I141 HydrophobicContact CB-CG1 3.69Å; Q138-N149 PolarHBondContact OE1-ND2 3.1Å; Q138-F151 HydrophobicContact CG-CB 4.02Å; Q138-F151 HydrophobicContact CG-CD1 4.4Å; Q138-F151 HydrophobicContact CG-CG 4.31Å; Q138-T152 PolarHBondContact N-O 3.36Å; Q138-V153 HydrophobicContact CB-CG2 4.35Å; Q138-L154 PolarHBondContact O-N 3Å
139	I	98.8	Very high	96.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.2	-166.8	-53.2	173	0	0	0	109	V101 H102 F103 D104 V137 L154 V159 V171 C188 L213	V101-I139 HydrophobicContact CG1-CD1 3.97Å; H102-I139 PolarHBondContact O-N 3.28Å; F103-I139 WeakPolarHBondContact CA-O 3.27Å; F103-I139 HydrophobicContact CD1-CB 3.93Å; F103-I139 HydrophobicContact CD1-CD1 4.36Å; F103-I139 HydrophobicContact CD1-CG2 3.9Å; F103-I139 HydrophobicContact CE1-CB 4.1Å; F103-I139 HydrophobicContact CE1-CD1 3.84Å; F103-I139 HydrophobicContact CE1-CG2 3.8Å; F103-I139 HydrophobicContact CE2-CD1 4.01Å; F103-I139 HydrophobicContact CG-CB 4.41Å; F103-I139 HydrophobicContact CZ-CD1 3.64Å; D104-I139 PolarHBondContact N-O 2.93Å; V137-I139 HydrophobicContact CG1-CD1 4.36Å; V137-I139 HydrophobicContact CG1-CG1 4.49Å; V137-I139 HydrophobicContact CG2-CG1 4.04Å; I139-L154 WeakPolarHBondContact CA-O 3.47Å; I139-V159 HydrophobicContact CG2-CG1 4.27Å; I139-V159 HydrophobicContact CG2-CG2 3.8Å; I139-V171 HydrophobicContact CD1-CG2 3.64Å; I139-V171 HydrophobicContact CG1-CG2 4.46Å; I139-C188 PolarHBondContact O-SG 2.86Å; I139-C188 VanDerWaalsContact O-SG 3.38Å; I139-L213 HydrophobicContact CG2-CD1 4.38Å
140	G	98.4	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.6	5.1	179.2	0	0	0	0	0	114.8	D104 R142 L154	D104-G140 CarbonylContact O-C 3.06Å; D104-G140 WeakPolarHBondContact O-CA 3.37Å; D104-G140 VanDerWaalsContact O-O 3.08Å; G140-R142 PolarHBondContact O-N 2.7Å; G140-R142 PolarHBondContact O-NH1 3.26Å; G140-L154 PolarHBondContact N-O 3.15Å
141	I	98.5	Very high	96.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	132.7	-179.7	-56.1	-51.8	0	0	0	110.4	D104 A105 H106 T107 Q138 F145 V153 D155 A156	D104-I141 HydrophobicContact CB-CD1 4.32Å; D104-I141 PolarHBondContact O-N 3.33Å; A105-I141 WeakPolarHBondContact O-CA 3.44Å; H106-I141 VanDerWaalsContact C-CD1 3.45Å; H106-I141 WeakPolarHBondContact O-CD1 3.34Å; T107-I141 HydrophobicContact CG2-CD1 4.12Å; T107-I141 HydrophobicContact CG2-CG1 4.16Å; T107-I141 HydrophobicContact CG2-CG2 3.65Å; Q138-I141 HydrophobicContact CB-CD1 3.93Å; Q138-I141 HydrophobicContact CB-CG1 3.69Å; I141-F145 HydrophobicContact CG2-CD1 3.76Å; I141-F145 HydrophobicContact CG2-CE1 3.77Å; I141-V153 HydrophobicContact CB-CG1 3.61Å; I141-V153 HydrophobicContact CG1-CG1 3.62Å; I141-V153 HydrophobicContact CG2-CG1 4.03Å; I141-D155 CarbonylContact O-C 3.6Å; I141-D155 WeakPolarHBondContact O-CA 3.36Å; I141-D155 WeakPolarHBondContact O-CB 3.46Å; I141-A156 PolarHBondContact O-N 3.11Å
142	R	97.9	Very high	96.2	Very high	48 Å²	48	49.9 Å²	49.9	18%	0.181	26%	0.26	C	S	.	.			trans	-154.5	19	-179.3	58.2	-170.7	-176.4	-80	2.9	113.8	A105 G140 A156 D187 C188 L189 V201 I202 G203	A105-R142 HydrophobicContact CB-CG 4.09Å; A105-R142 PolarHBondContact O-N 3.29Å; G140-R142 PolarHBondContact O-N 2.7Å; G140-R142 PolarHBondContact O-NH1 3.26Å; R142-A156 HydrophobicContact CB-CB 4.02Å; R142-A156 HydrophobicContact CG-CB 4.35Å; R142-D187 PolarHBondContact NH1-O 2.9Å; R142-D187 PolarHBondContact NH2-O 3.21Å; R142-C188 PolarHBondContact NH1-O 3.3Å; R142-L189 PolarHBondContact NH2-O 2.82Å; R142-L189 VanDerWaalsContact NH2-O 3.09Å; R142-V201 HydrophobicContact CG-CB 4.29Å; R142-V201 HydrophobicContact CG-CG1 3.79Å; R142-V201 VanDerWaalsContact CZ-O 3.3Å; R142-V201 PolarHBondContact NE-O 3.42Å; R142-V201 PolarHBondContact NH2-O 3.06Å; R142-I202 VanDerWaalsContact CD-O 3.26Å; R142-I202 WeakPolarHBondContact CD-O 3.1Å; R142-I202 PolarHBondContact NE-O 2.79Å; R142-G203 WeakPolarHBondContact CD-O 3.39Å
143	T	96.7	Very high	96.2	Very high	35 Å²	35	49.8 Å²	49.8	22%	0.215	26%	0.26	C	S	.	.	S	Bend	trans	-102.4	168	164.5	58.3	0	0	0	0	111	A105 H106 Y110 F145 V201	A105-T143 PolarHBondContact O-N 3.11Å; A105-T143 PolarHBondContact O-OG1 3.46Å; H106-T143 VanDerWaalsContact CD2-CG2 3.43Å; H106-T143 WeakPolarHBondContact CD2-CG2 3.28Å; Y110-T143 PolarHBondContact OH-OG1 3.27Å; T143-F145 WeakPolarHBondContact O-CD1 3.48Å; T143-V201 HydrophobicContact CG2-CG1 4.36Å; T143-V201 HydrophobicContact CG2-CG2 3.92Å
144	E	94.1	Very high	96.2	Very high	168 Å²	168	48.5 Å²	48.5	79%	0.785	25%	0.252	S	S	*	.			trans	-69.2	136.9	174.6	-169.4	70.9	-173	0	0	110	Y110	Y110-E144 PolarHBondContact OH-O 3.27Å
145	F	94	Very high	96.2	Very high	25 Å²	25	45 Å²	45	11%	0.11	23%	0.233	C	C	.	.			trans	-151.8	158.1	178.7	69.3	-85	0	0	0	110.9	T107 I141 T143 K147 V153	T107-F145 HydrophobicContact CG2-CB 3.57Å; T107-F145 HydrophobicContact CG2-CD1 4Å; T107-F145 HydrophobicContact CG2-CD2 3.96Å; T107-F145 HydrophobicContact CG2-CG 3.59Å; I141-F145 HydrophobicContact CG2-CD1 3.76Å; I141-F145 HydrophobicContact CG2-CE1 3.77Å; T143-F145 WeakPolarHBondContact O-CD1 3.48Å; F145-K147 HydrophobicContact CD2-CD 4.38Å; F145-K147 HydrophobicContact CE1-CD 4.47Å; F145-K147 HydrophobicContact CE2-CD 3.68Å; F145-K147 HydrophobicContact CZ-CD 3.75Å; F145-K147 PolarHBondContact O-N 2.93Å; F145-V153 HydrophobicContact CD2-CG2 4.45Å; F145-V153 HydrophobicContact CE1-CG1 4.06Å; F145-V153 HydrophobicContact CE2-CB 4.19Å; F145-V153 HydrophobicContact CE2-CG1 4.37Å; F145-V153 HydrophobicContact CE2-CG2 3.69Å; F145-V153 HydrophobicContact CZ-CB 3.86Å; F145-V153 HydrophobicContact CZ-CG1 3.66Å; F145-V153 HydrophobicContact CZ-CG2 3.84Å
146	D	91.8	Very high	96.2	Very high	103 Å²	103	41.7 Å²	41.7	55%	0.551	22%	0.218	S	C	*	.			trans	-71.7	125.1	173.3	-157.4	-26	0	0	0	110.8	D148 N149	D146-D148 PolarHBondContact O-N 3.32Å; D146-D148 VanDerWaalsContact O-N 3.13Å; D146-D148 PolarHBondContact OD1-N 3.45Å; D146-N149 VanDerWaalsContact O-CB 3.31Å; D146-N149 WeakPolarHBondContact O-CB 3.47Å; D146-N149 PolarHBondContact O-N 3.27Å; D146-N149 VanDerWaalsContact O-N 3.08Å
147	K	90.4	Very high	96.1	Very high	156 Å²	156	45.6 Å²	45.6	68%	0.678	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.3	-178.3	-60.6	-56.1	-177.2	-170.9	0	112.8	F145	F145-K147 HydrophobicContact CD2-CD 4.38Å; F145-K147 HydrophobicContact CE1-CD 4.47Å; F145-K147 HydrophobicContact CE2-CD 3.68Å; F145-K147 HydrophobicContact CZ-CD 3.75Å; F145-K147 PolarHBondContact O-N 2.93Å
148	D	90.7	Very high	96	Very high	124 Å²	124	49.6 Å²	49.6	66%	0.663	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	16	174.3	77.1	-0.6	0	0	0	114.2	D146 G150	D146-D148 PolarHBondContact O-N 3.32Å; D146-D148 VanDerWaalsContact O-N 3.13Å; D146-D148 PolarHBondContact OD1-N 3.45Å; D148-G150 PolarHBondContact O-N 3.08Å
149	N	91	Very high	96	Very high	29 Å²	29	49.6 Å²	49.6	16%	0.155	26%	0.263	C	S	.	.	S	Bend	trans	-59.6	-7.3	-178.3	76.6	-0.1	0	0	0	115.6	T109 Q138 D146 F151	T109-N149 HydrophobicContact CG2-CB 4.48Å; Q138-N149 PolarHBondContact OE1-ND2 3.1Å; D146-N149 VanDerWaalsContact O-CB 3.31Å; D146-N149 WeakPolarHBondContact O-CB 3.47Å; D146-N149 PolarHBondContact O-N 3.27Å; D146-N149 VanDerWaalsContact O-N 3.08Å; N149-F151 VanDerWaalsContact C-N 3.33Å; N149-F151 VanDerWaalsContact O-CD2 3.28Å; N149-F151 WeakPolarHBondContact O-CD2 3.27Å; N149-F151 PolarHBondContact O-N 2.86Å; N149-F151 PolarHBondContact OD1-N 3.13Å; N149-F151 PolarHBondContact OD1-O 3.25Å
150	G	93.7	Very high	95.9	Very high	39 Å²	39	52.2 Å²	52.2	40%	0.402	28%	0.277	S	S	.	.	S	Bend	trans	87.8	-13.3	174.8	0	0	0	0	0	115.1	P133 D148	P133-G150 CarbonylContact C-O 3.56Å; P133-G150 WeakPolarHBondContact CB-O 3.39Å; D148-G150 PolarHBondContact O-N 3.08Å
151	F	97.8	Very high	95.9	Very high	18 Å²	18	58.7 Å²	58.7	8%	0.079	31%	0.312	C	S	.	.	S	Bend	trans	-93.1	153.9	-179.5	-66.4	-94.2	0	0	0	111.3	L100 T109 F122 P126 I131 P133 S136 Q138 N149 V153	L100-F151 HydrophobicContact CD2-CE1 4.43Å; T109-F151 HydrophobicContact CG2-CD2 3.69Å; T109-F151 HydrophobicContact CG2-CE2 3.46Å; T109-F151 VanDerWaalsContact CG2-CE2 3.46Å; T109-F151 HydrophobicContact CG2-CZ 4.4Å; F122-F151 HydrophobicContact CB-CZ 4.34Å; P126-F151 HydrophobicContact CG-CE2 4.21Å; P126-F151 HydrophobicContact CG-CZ 3.75Å; I131-F151 HydrophobicContact CD1-CE1 3.9Å; I131-F151 HydrophobicContact CD1-CZ 3.86Å; P133-F151 HydrophobicContact CB-CD1 4.28Å; P133-F151 HydrophobicContact CB-CD2 4.37Å; P133-F151 HydrophobicContact CB-CE1 4.17Å; P133-F151 HydrophobicContact CB-CE2 4.25Å; P133-F151 HydrophobicContact CB-CG 4.38Å; P133-F151 HydrophobicContact CB-CZ 4.16Å; S136-F151 VanDerWaalsContact CB-CD1 3.44Å; Q138-F151 HydrophobicContact CG-CB 4.02Å; Q138-F151 HydrophobicContact CG-CD1 4.4Å; Q138-F151 HydrophobicContact CG-CG 4.31Å; N149-F151 VanDerWaalsContact C-N 3.33Å; N149-F151 VanDerWaalsContact O-CD2 3.28Å; N149-F151 WeakPolarHBondContact O-CD2 3.27Å; N149-F151 PolarHBondContact O-N 2.86Å; N149-F151 PolarHBondContact OD1-N 3.13Å; N149-F151 PolarHBondContact OD1-O 3.25Å; F151-V153 PolarHBondContact O-N 3.38Å
152	T	98.1	Very high	95.9	Very high	48 Å²	48	62.2 Å²	62.2	29%	0.294	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.7	164.3	-59.9	0	0	0	0	109.3	S136 V137 Q138 L154 I174	S136-T152 PolarHBondContact O-N 3.33Å; V137-T152 CarbonylContact C-O 3.55Å; V137-T152 VanDerWaalsContact CA-O 3.28Å; V137-T152 WeakPolarHBondContact CA-O 3.47Å; V137-T152 HydrophobicContact CG2-CG2 4.49Å; Q138-T152 PolarHBondContact N-O 3.36Å; T152-L154 HydrophobicContact CG2-CD2 4.26Å; T152-I174 HydrophobicContact CG2-CD1 3.5Å; T152-I174 HydrophobicContact CG2-CG1 4.37Å
153	V	98.3	Very high	95.9	Very high	27 Å²	27	62.4 Å²	62.4	16%	0.164	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122	178	180	0	0	0	0	110.5	Q138 I141 F145 F151	Q138-V153 HydrophobicContact CB-CG2 4.35Å; I141-V153 HydrophobicContact CB-CG1 3.61Å; I141-V153 HydrophobicContact CG1-CG1 3.62Å; I141-V153 HydrophobicContact CG2-CG1 4.03Å; F145-V153 HydrophobicContact CD2-CG2 4.45Å; F145-V153 HydrophobicContact CE1-CG1 4.06Å; F145-V153 HydrophobicContact CE2-CB 4.19Å; F145-V153 HydrophobicContact CE2-CG1 4.37Å; F145-V153 HydrophobicContact CE2-CG2 3.69Å; F145-V153 HydrophobicContact CZ-CB 3.86Å; F145-V153 HydrophobicContact CZ-CG1 3.66Å; F145-V153 HydrophobicContact CZ-CG2 3.84Å; F151-V153 PolarHBondContact O-N 3.38Å
154	L	98	Very high	95.9	Very high	4 Å²	4	62 Å²	62	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	92.7	167.2	-51.5	-175.7	0	0	0	107.3	V137 Q138 I139 G140 T152 V159 V167 V171	V137-L154 HydrophobicContact CG2-CD1 3.82Å; V137-L154 HydrophobicContact CG2-CG 3.8Å; Q138-L154 PolarHBondContact O-N 3Å; I139-L154 WeakPolarHBondContact CA-O 3.47Å; G140-L154 PolarHBondContact N-O 3.15Å; T152-L154 HydrophobicContact CG2-CD2 4.26Å; L154-V159 HydrophobicContact CB-CG2 3.7Å; L154-V159 WeakPolarHBondContact O-CG2 3.4Å; L154-V167 HydrophobicContact CD1-CG1 4.07Å; L154-V171 HydrophobicContact CD1-CG2 4.19Å
155	D	97.9	Very high	96.1	Very high	46 Å²	46	59.9 Å²	59.9	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	162.4	-175.4	69.1	49.1	0	0	0	112.2	I141 C157 Q158 V159	I141-D155 CarbonylContact O-C 3.6Å; I141-D155 WeakPolarHBondContact O-CA 3.36Å; I141-D155 WeakPolarHBondContact O-CB 3.46Å; D155-C157 PolarHBondContact O-N 2.71Å; D155-C157 WeakPolarHBondContact OD1-CA 3.43Å; D155-C157 VanDerWaalsContact OD1-CB 3.3Å; D155-C157 WeakPolarHBondContact OD1-CB 3.44Å; D155-C157 PolarHBondContact OD1-N 2.83Å; D155-Q158 PolarHBondContact O-N 3.44Å; D155-Q158 WeakPolarHBondContact OD1-CB 3.31Å; D155-Q158 WeakPolarHBondContact OD1-CG 3.25Å; D155-Q158 PolarHBondContact OD1-N 3.06Å; D155-V159 WeakPolarHBondContact O-CB 3.49Å; D155-V159 VanDerWaalsContact O-CG2 3.26Å; D155-V159 WeakPolarHBondContact O-CG2 3.24Å; D155-V159 PolarHBondContact O-N 3.28Å
156	A	98	Very high	96.3	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-33.9	-176.8	0	0	0	0	0	113.1	I141 R142 N160 G203	I141-A156 PolarHBondContact O-N 3.11Å; R142-A156 HydrophobicContact CB-CB 4.02Å; R142-A156 HydrophobicContact CG-CB 4.35Å; A156-N160 WeakPolarHBondContact O-CB 3.47Å; A156-N160 PolarHBondContact O-N 2.8Å; A156-N160 PolarHBondContact O-ND2 3.12Å; A156-N160 VanDerWaalsContact O-ND2 3.12Å; A156-G203 VanDerWaalsContact CB-O 3.32Å; A156-G203 WeakPolarHBondContact CB-O 3.33Å
157	C	96.6	Very high	96.7	Very high	82 Å²	82	58 Å²	58	55%	0.554	32%	0.316	S	S	*	.	H	α-helix	trans	-66.5	-52.4	179.1	-170.7	0	0	0	0	110.5	D155 V159 N160 D161	D155-C157 PolarHBondContact O-N 2.71Å; D155-C157 WeakPolarHBondContact OD1-CA 3.43Å; D155-C157 VanDerWaalsContact OD1-CB 3.3Å; D155-C157 WeakPolarHBondContact OD1-CB 3.44Å; D155-C157 PolarHBondContact OD1-N 2.83Å; C157-V159 VanDerWaalsContact C-N 3.32Å; C157-V159 PolarHBondContact O-N 3.05Å; C157-N160 PolarHBondContact O-N 3.06Å; C157-D161 WeakPolarHBondContact O-CB 3.42Å; C157-D161 PolarHBondContact O-N 3.29Å
158	Q	97	Very high	97.1	Very high	85 Å²	85	51.2 Å²	51.2	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-57.5	-45.2	174.9	-69.3	175.6	-11.6	0	0	111.8	D155 N160 R162	D155-Q158 PolarHBondContact O-N 3.44Å; D155-Q158 WeakPolarHBondContact OD1-CB 3.31Å; D155-Q158 WeakPolarHBondContact OD1-CG 3.25Å; D155-Q158 PolarHBondContact OD1-N 3.06Å; Q158-N160 VanDerWaalsContact C-N 3.35Å; Q158-R162 WeakPolarHBondContact O-CB 3.39Å; Q158-R162 VanDerWaalsContact O-CD 3.24Å; Q158-R162 WeakPolarHBondContact O-CD 3.41Å; Q158-R162 WeakPolarHBondContact O-CG 3.42Å; Q158-R162 PolarHBondContact O-N 3.09Å
159	V	98.2	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-40.9	-179.5	173.6	0	0	0	0	110.2	I139 L154 D155 C157 L205 R209 L213	I139-V159 HydrophobicContact CG2-CG1 4.27Å; I139-V159 HydrophobicContact CG2-CG2 3.8Å; L154-V159 HydrophobicContact CB-CG2 3.7Å; L154-V159 WeakPolarHBondContact O-CG2 3.4Å; D155-V159 WeakPolarHBondContact O-CB 3.49Å; D155-V159 VanDerWaalsContact O-CG2 3.26Å; D155-V159 WeakPolarHBondContact O-CG2 3.24Å; D155-V159 PolarHBondContact O-N 3.28Å; C157-V159 VanDerWaalsContact C-N 3.32Å; C157-V159 PolarHBondContact O-N 3.05Å; V159-L205 HydrophobicContact CB-CD1 4.48Å; V159-L205 HydrophobicContact CG1-CD1 4.05Å; V159-L205 HydrophobicContact CG1-CD2 3.99Å; V159-L205 HydrophobicContact CG1-CG 4.16Å; V159-R209 PolarHBondContact O-NE 3.41Å; V159-R209 PolarHBondContact O-NH2 2.98Å; V159-L213 HydrophobicContact CG1-CD1 4.05Å
160	N	97.6	Very high	97.8	Very high	56 Å²	56	49.3 Å²	49.3	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-71.4	-34.1	-179.9	-77.2	-30.9	0	0	0	113.4	A156 C157 Q158 G204	A156-N160 WeakPolarHBondContact O-CB 3.47Å; A156-N160 PolarHBondContact O-N 2.8Å; A156-N160 PolarHBondContact O-ND2 3.12Å; A156-N160 VanDerWaalsContact O-ND2 3.12Å; C157-N160 PolarHBondContact O-N 3.06Å; Q158-N160 VanDerWaalsContact C-N 3.35Å; N160-G204 PolarHBondContact ND2-O 3.34Å; N160-G204 VanDerWaalsContact ND2-O 3.17Å
161	D	97.4	Very high	98	Very high	136 Å²	136	47.6 Å²	47.6	73%	0.727	27%	0.265	S	S	*	.	H	α-helix	trans	-81.9	-16.2	-177	-76	-10.1	0	0	0	114.6	C157	C157-D161 WeakPolarHBondContact O-CB 3.42Å; C157-D161 PolarHBondContact O-N 3.29Å
162	R	97.7	Very high	98	Very high	75 Å²	75	49.8 Å²	49.8	28%	0.283	27%	0.274	S	S	.	.	S	Bend	trans	-92.2	169.6	-178.3	-71.6	168	61.4	-174.1	-0.9	112.6	Q158 D166 V167 R209	Q158-R162 WeakPolarHBondContact O-CB 3.39Å; Q158-R162 VanDerWaalsContact O-CD 3.24Å; Q158-R162 WeakPolarHBondContact O-CD 3.41Å; Q158-R162 WeakPolarHBondContact O-CG 3.42Å; Q158-R162 PolarHBondContact O-N 3.09Å; R162-D166 PolarHBondContact NH2-O 2.78Å; R162-D166 VanDerWaalsContact NH2-O 3.07Å; R162-V167 HydrophobicContact CB-CG2 3.98Å; R162-R209 PolarHBondContact O-NH2 3.17Å
163	S	98.1	Very high	98.1	Very high	52 Å²	52	55.3 Å²	55.3	36%	0.364	30%	0.297	S	S	.	.			trans	-74	153	165.5	80.2	0	0	0	0	110.4	D165 D166 V167	S163-D165 VanDerWaalsContact C-N 3.25Å; S163-D165 PolarHBondContact O-N 3.42Å; S163-D166 WeakPolarHBondContact CB-OD2 3.19Å; S163-D166 PolarHBondContact O-N 3.01Å; S163-D166 WeakPolarHBondContact OG-CB 3.42Å; S163-D166 PolarHBondContact OG-N 3.03Å; S163-D166 VanDerWaalsContact OG-N 3.1Å; S163-D166 PolarHBondContact OG-OD2 2.99Å; S163-V167 PolarHBondContact O-N 3.04Å
164	V	98.2	Very high	98.1	Very high	25 Å²	25	55 Å²	55	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-40.9	175.6	177.6	0	0	0	0	110.1	D166 V167 I168 R209 K212 L213	V164-D166 PolarHBondContact O-N 3.12Å; V164-V167 PolarHBondContact O-N 3.13Å; V164-I168 HydrophobicContact CG1-CD1 3.58Å; V164-I168 HydrophobicContact CG1-CG1 4.3Å; V164-I168 WeakPolarHBondContact O-CD1 2.99Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.32Å; V164-I168 PolarHBondContact O-N 3.09Å; V164-R209 HydrophobicContact CG2-CG 4.4Å; V164-K212 HydrophobicContact CG1-CB 3.67Å; V164-K212 HydrophobicContact CG2-CB 4.25Å; V164-K212 HydrophobicContact CG2-CD 4.32Å; V164-L213 HydrophobicContact CG1-CD2 3.77Å; V164-L213 HydrophobicContact CG1-CG 4.15Å
165	D	98.2	Very high	98.1	Very high	124 Å²	124	54.9 Å²	54.9	66%	0.663	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-38.7	-179	-66.2	-24.7	0	0	0	112.1	S163 V167 I168 A169	S163-D165 VanDerWaalsContact C-N 3.25Å; S163-D165 PolarHBondContact O-N 3.42Å; D165-V167 PolarHBondContact O-N 3Å; D165-I168 PolarHBondContact O-N 3.26Å; D165-A169 WeakPolarHBondContact O-CB 3.25Å; D165-A169 PolarHBondContact O-N 3.16Å
166	D	98.4	Very high	98.1	Very high	88 Å²	88	54.3 Å²	54.3	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-37.2	176.6	-65.2	-38.4	0	0	0	112.3	R162 S163 V164 Q170	R162-D166 PolarHBondContact NH2-O 2.78Å; R162-D166 VanDerWaalsContact NH2-O 3.07Å; S163-D166 WeakPolarHBondContact CB-OD2 3.19Å; S163-D166 PolarHBondContact O-N 3.01Å; S163-D166 WeakPolarHBondContact OG-CB 3.42Å; S163-D166 PolarHBondContact OG-N 3.03Å; S163-D166 VanDerWaalsContact OG-N 3.1Å; S163-D166 PolarHBondContact OG-OD2 2.99Å; V164-D166 PolarHBondContact O-N 3.12Å; D166-Q170 PolarHBondContact O-N 2.83Å; D166-Q170 VanDerWaalsContact O-N 3.14Å
167	V	98.6	Very high	98	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-46	176.2	177.1	0	0	0	0	109.6	L154 R162 S163 V164 D165 A169 Q170 V171 L213	L154-V167 HydrophobicContact CD1-CG1 4.07Å; R162-V167 HydrophobicContact CB-CG2 3.98Å; S163-V167 PolarHBondContact O-N 3.04Å; V164-V167 PolarHBondContact O-N 3.13Å; D165-V167 PolarHBondContact O-N 3Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 3.42Å; V167-Q170 PolarHBondContact O-N 3.36Å; V167-V171 HydrophobicContact CG1-CG2 4.43Å; V167-V171 VanDerWaalsContact O-CG2 3.32Å; V167-V171 WeakPolarHBondContact O-CG2 2.99Å; V167-V171 PolarHBondContact O-N 3.11Å; V167-L213 HydrophobicContact CB-CD2 3.74Å; V167-L213 HydrophobicContact CG1-CD2 3.57Å
168	I	98.6	Very high	98.1	Very high	15 Å²	15	59.9 Å²	59.9	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-46.1	175.9	-68.1	157.8	0	0	0	111	V164 D165 Q170 V171 K172 L213 L217	V164-I168 HydrophobicContact CG1-CD1 3.58Å; V164-I168 HydrophobicContact CG1-CG1 4.3Å; V164-I168 WeakPolarHBondContact O-CD1 2.99Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.32Å; V164-I168 PolarHBondContact O-N 3.09Å; D165-I168 PolarHBondContact O-N 3.26Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 3.13Å; I168-V171 PolarHBondContact O-N 3.5Å; I168-K172 HydrophobicContact CG2-CD 4.06Å; I168-K172 HydrophobicContact CG2-CG 4.35Å; I168-K172 WeakPolarHBondContact O-CG 3.43Å; I168-K172 PolarHBondContact O-N 3.02Å; I168-L213 HydrophobicContact CG1-CD2 4.14Å; I168-L217 HydrophobicContact CG2-CD2 4.5Å
169	A	98.5	Very high	98.1	Very high	56 Å²	56	57.2 Å²	57.2	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-43.7	179.7	0	0	0	0	0	111.5	D165 V167 K172 Q173	D165-A169 WeakPolarHBondContact O-CB 3.25Å; D165-A169 PolarHBondContact O-N 3.16Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 3.42Å; A169-K172 PolarHBondContact O-N 3.07Å; A169-Q173 PolarHBondContact O-N 3.09Å
170	Q	98.5	Very high	98.2	Very high	57 Å²	57	57.2 Å²	57.2	27%	0.266	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-43.1	176.2	-173	177.9	9.6	0	0	112.2	D166 V167 I168 K172 Q173 I174	D166-Q170 PolarHBondContact O-N 2.83Å; D166-Q170 VanDerWaalsContact O-N 3.14Å; V167-Q170 PolarHBondContact O-N 3.36Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 3.13Å; Q170-K172 VanDerWaalsContact C-N 3.33Å; Q170-K172 PolarHBondContact O-N 2.84Å; Q170-Q173 WeakPolarHBondContact O-CB 3.46Å; Q170-Q173 PolarHBondContact O-N 3.44Å; Q170-I174 HydrophobicContact CG-CD1 3.82Å; Q170-I174 HydrophobicContact CG-CG1 4.41Å; Q170-I174 WeakPolarHBondContact O-CD1 3.47Å; Q170-I174 VanDerWaalsContact O-CG1 3.28Å; Q170-I174 WeakPolarHBondContact O-CG1 3.44Å; Q170-I174 PolarHBondContact O-N 3.05Å
171	V	98.6	Very high	98.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-57.4	-48.2	175.7	169.5	0	0	0	0	110.4	V101 V137 I139 L154 V167 I168 Q173 I174 V175 L217 L220	V101-V171 HydrophobicContact CG1-CG1 4.44Å; V101-V171 HydrophobicContact CG2-CG1 4.08Å; V137-V171 HydrophobicContact CG1-CB 4.43Å; V137-V171 HydrophobicContact CG1-CG1 3.95Å; V137-V171 HydrophobicContact CG1-CG2 4.08Å; V137-V171 HydrophobicContact CG2-CG2 4.37Å; I139-V171 HydrophobicContact CD1-CG2 3.64Å; I139-V171 HydrophobicContact CG1-CG2 4.46Å; L154-V171 HydrophobicContact CD1-CG2 4.19Å; V167-V171 HydrophobicContact CG1-CG2 4.43Å; V167-V171 VanDerWaalsContact O-CG2 3.32Å; V167-V171 WeakPolarHBondContact O-CG2 2.99Å; V167-V171 PolarHBondContact O-N 3.11Å; I168-V171 PolarHBondContact O-N 3.5Å; V171-Q173 VanDerWaalsContact C-N 3.31Å; V171-Q173 PolarHBondContact O-N 3.23Å; V171-I174 PolarHBondContact O-N 3.44Å; V171-I174 VanDerWaalsContact O-N 3.17Å; V171-V175 WeakPolarHBondContact O-CG2 3.23Å; V171-V175 PolarHBondContact O-N 3Å; V171-L217 HydrophobicContact CB-CD2 4.15Å; V171-L217 HydrophobicContact CG1-CD2 3.57Å; V171-L220 HydrophobicContact CG1-CD1 4.4Å
172	K	98.5	Very high	98.3	Very high	65 Å²	65	48.1 Å²	48.1	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-40	177.1	-70.9	-177.6	175.9	-175.6	0	112.3	I168 A169 Q170 G176 G216 D219 L220	I168-K172 HydrophobicContact CG2-CD 4.06Å; I168-K172 HydrophobicContact CG2-CG 4.35Å; I168-K172 WeakPolarHBondContact O-CG 3.43Å; I168-K172 PolarHBondContact O-N 3.02Å; A169-K172 PolarHBondContact O-N 3.07Å; Q170-K172 VanDerWaalsContact C-N 3.33Å; Q170-K172 PolarHBondContact O-N 2.84Å; K172-G176 PolarHBondContact O-N 3.32Å; K172-G176 VanDerWaalsContact O-N 3.09Å; K172-G216 WeakPolarHBondContact CE-O 3.45Å; K172-G216 PolarHBondContact NZ-O 3.44Å; K172-D219 IonicContact NZ-OD2 2.94Å; K172-D219 PolarHBondContact NZ-OD2 3.1Å; K172-L220 HydrophobicContact CB-CD2 4.45Å; K172-L220 HydrophobicContact CG-CD2 3.9Å; K172-L220 HydrophobicContact CG-CG 4.45Å
173	Q	98.4	Very high	98.3	Very high	164 Å²	164	44.6 Å²	44.6	77%	0.766	25%	0.25	S	C	*	.	H	α-helix	trans	-64.1	-41.1	175.8	-177.6	-173.9	-26.4	0	0	112.3	A169 Q170 V171	A169-Q173 PolarHBondContact O-N 3.09Å; Q170-Q173 WeakPolarHBondContact O-CB 3.46Å; Q170-Q173 PolarHBondContact O-N 3.44Å; V171-Q173 VanDerWaalsContact C-N 3.31Å; V171-Q173 PolarHBondContact O-N 3.23Å
174	I	98.4	Very high	98.4	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-48.6	-178.8	-67.1	158.2	0	0	0	110.8	H135 V137 T152 Q170 V171	H135-I174 WeakPolarHBondContact CA-O 3.13Å; H135-I174 PolarHBondContact CD2-O 2.76Å; V137-I174 HydrophobicContact CB-CD1 3.97Å; V137-I174 HydrophobicContact CB-CG2 4.19Å; V137-I174 HydrophobicContact CG2-CD1 3.77Å; T152-I174 HydrophobicContact CG2-CD1 3.5Å; T152-I174 HydrophobicContact CG2-CG1 4.37Å; Q170-I174 HydrophobicContact CG-CD1 3.82Å; Q170-I174 HydrophobicContact CG-CG1 4.41Å; Q170-I174 WeakPolarHBondContact O-CD1 3.47Å; Q170-I174 VanDerWaalsContact O-CG1 3.28Å; Q170-I174 WeakPolarHBondContact O-CG1 3.44Å; Q170-I174 PolarHBondContact O-N 3.05Å; V171-I174 PolarHBondContact O-N 3.44Å; V171-I174 VanDerWaalsContact O-N 3.17Å
175	V	98.4	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-76.2	-27.8	-174.7	-56.1	0	0	0	0	113.3	A99 V101 V171 M178 V180 L220	A99-V175 HydrophobicContact CB-CB 3.96Å; A99-V175 HydrophobicContact CB-CG1 4.06Å; V101-V175 HydrophobicContact CG2-CG1 3.76Å; V171-V175 WeakPolarHBondContact O-CG2 3.23Å; V171-V175 PolarHBondContact O-N 3Å; V175-M178 PolarHBondContact O-N 3.07Å; V175-V180 HydrophobicContact CB-CG2 4.13Å; V175-V180 HydrophobicContact CG1-CG2 4.47Å; V175-V180 HydrophobicContact CG2-CG2 4.21Å; V175-L220 HydrophobicContact CG2-CD1 3.89Å; V175-L220 HydrophobicContact CG2-CD2 3.46Å; V175-L220 VanDerWaalsContact CG2-CD2 3.46Å; V175-L220 HydrophobicContact CG2-CG 4.31Å
176	G	97.6	Very high	98.3	Very high	35 Å²	35	37.5 Å²	37.5	36%	0.361	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-136.9	-175.8	0	0	0	0	0	112.8	K172	K172-G176 PolarHBondContact O-N 3.32Å; K172-G176 VanDerWaalsContact O-N 3.09Å
177	D	97.1	Very high	98.3	Very high	165 Å²	165	33.4 Å²	33.4	88%	0.882	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	7.3	-179.2	-63	-42.8	0	0	0	113.4
178	M	98	Very high	98.2	Very high	37 Å²	37	33.4 Å²	33.4	18%	0.182	18%	0.184	C	C	.	.	S	Bend	trans	-63.8	150.7	-179.2	-72.1	-170.9	74	0	0	111.7	K97 A99 D132 H135 V175 V180	K97-M178 HydrophobicContact CG-CE 4.42Å; K97-M178 WeakPolarHBondContact O-CE 3.37Å; A99-M178 HydrophobicContact CB-CB 3.91Å; A99-M178 HydrophobicContact CB-SD 4.48Å; D132-M178 HydrophobicContact CB-CE 3.92Å; D132-M178 HydrophobicContact CB-SD 4.31Å; H135-M178 HydrophobicContact CB-SD 3.31Å; H135-M178 WeakPolarHBondContact CB-SD 3.34Å; V175-M178 PolarHBondContact O-N 3.07Å; M178-V180 WeakPolarHBondContact O-CG2 3.44Å; M178-V180 PolarHBondContact O-N 3.37Å
179	P	98.3	Very high	98.2	Very high	28 Å²	28	33.4 Å²	33.4	18%	0.182	18%	0.184	C	C	.	.			trans	-56.6	130.2	163.3	-19	31.5	0	0	0	109.7	F95 M98 A99 V223	F95-P179 HydrophobicContact CB-CB 4.17Å; F95-P179 HydrophobicContact CB-CG 4.45Å; M98-P179 CarbonylContact C-O 3.49Å; M98-P179 VanDerWaalsContact CA-O 3.28Å; M98-P179 WeakPolarHBondContact CA-O 3.45Å; M98-P179 VanDerWaalsContact CB-O 3.29Å; M98-P179 WeakPolarHBondContact CB-O 3.5Å; M98-P179 HydrophobicContact CG-CB 4.2Å; A99-P179 PolarHBondContact N-O 2.93Å; P179-V223 HydrophobicContact CB-CG1 3.76Å; P179-V223 HydrophobicContact CB-CG2 4.04Å
180	V	98.8	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.2	-175.5	178.9	0	0	0	0	110.4	A99 V101 V175 M178 L220 N221 I222 V223	A99-V180 HydrophobicContact CB-CG2 4.17Å; A99-V180 WeakPolarHBondContact O-CA 3.29Å; V101-V180 HydrophobicContact CB-CG1 4.2Å; V101-V180 HydrophobicContact CG2-CG1 3.6Å; V175-V180 HydrophobicContact CB-CG2 4.13Å; V175-V180 HydrophobicContact CG1-CG2 4.47Å; V175-V180 HydrophobicContact CG2-CG2 4.21Å; M178-V180 WeakPolarHBondContact O-CG2 3.44Å; M178-V180 PolarHBondContact O-N 3.37Å; V180-L220 HydrophobicContact CG2-CB 4.3Å; V180-L220 HydrophobicContact CG2-CD1 4.41Å; V180-N221 PolarHBondContact N-O 2.76Å; V180-I222 HydrophobicContact CB-CG1 4.45Å; V180-I222 CarbonylContact O-C 3.53Å; V180-I222 WeakPolarHBondContact O-CA 3.35Å; V180-V223 WeakPolarHBondContact O-CG2 3.45Å; V180-V223 PolarHBondContact O-N 3.4Å
181	Y	98.8	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126	159.9	-164.5	-80.5	0	0	0	108.6	T84 L87 L88 H91 M98 A99 L100 V101 D226	T84-Y181 HydrophobicContact CG2-CD1 4.44Å; T84-Y181 HydrophobicContact CG2-CE1 3.82Å; L87-Y181 HydrophobicContact CB-CE2 4.46Å; L87-Y181 WeakPolarHBondContact CB-OH 3.3Å; L87-Y181 WeakPolarHBondContact CD1-OH 3.38Å; L88-Y181 HydrophobicContact CD2-CD1 3.85Å; L88-Y181 HydrophobicContact CD2-CD2 3.89Å; L88-Y181 HydrophobicContact CD2-CE1 4.44Å; L88-Y181 HydrophobicContact CD2-CE2 4.46Å; L88-Y181 HydrophobicContact CD2-CG 3.54Å; H91-Y181 HydrophobicContact CB-CD2 4.34Å; H91-Y181 AromaticContact CD2-CD2 3.99Å; H91-Y181 AromaticContact CE1-CE2 3.68Å; H91-Y181 AromaticContact CG-CD2 3.92Å; H91-Y181 AromaticContact CG-CE2 3.88Å; H91-Y181 AromaticContact ND1-CE2 3.66Å; H91-Y181 AromaticContact NE2-CE2 3.91Å; M98-Y181 HydrophobicContact CE-CD2 4.49Å; A99-Y181 PolarHBondContact O-N 2.78Å; L100-Y181 WeakPolarHBondContact CA-O 3.38Å; L100-Y181 HydrophobicContact CD1-CD1 4.15Å; V101-Y181 PolarHBondContact N-O 3.45Å; Y181-D226 VanDerWaalsContact CE1-OD2 3.27Å; Y181-D226 WeakPolarHBondContact CE1-OD2 3.35Å; Y181-D226 PolarHBondContact OH-OD2 3.18Å
182	L	98.7	Very high	97.8	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.9	177.6	-169.4	164.3	0	0	0	109	V101 F103 F184 L217 I222 G224 M225 D226	V101-L182 HydrophobicContact CB-CG 4.26Å; V101-L182 HydrophobicContact CG1-CG 4.29Å; V101-L182 WeakPolarHBondContact O-CA 3.48Å; F103-L182 HydrophobicContact CD2-CD2 4.27Å; F103-L182 HydrophobicContact CE2-CD1 4.43Å; F103-L182 HydrophobicContact CE2-CD2 4.44Å; F103-L182 HydrophobicContact CE2-CG 4.44Å; L182-F184 HydrophobicContact CD2-CB 4.26Å; L182-L217 HydrophobicContact CD1-CD1 3.8Å; L182-I222 HydrophobicContact CD1-CD1 4.21Å; L182-G224 PolarHBondContact N-O 3.29Å; L182-G224 VanDerWaalsContact N-O 3.08Å; L182-M225 HydrophobicContact CB-CG 4.31Å; L182-M225 HydrophobicContact CD2-CE 3.74Å; L182-M225 HydrophobicContact CD2-CG 4.02Å; L182-M225 HydrophobicContact CD2-SD 4.04Å; L182-M225 CarbonylContact O-C 3.52Å; L182-M225 WeakPolarHBondContact O-CA 3.25Å; L182-M225 WeakPolarHBondContact O-CG 3.4Å; L182-D226 PolarHBondContact O-N 3.25Å; L182-D226 VanDerWaalsContact O-N 3.1Å
183	T	98.8	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.6	170.1	170.2	0	0	0	0	109.8	H81 L100 V101 H102 F103 F122 D226	H81-T183 PolarHBondContact NE2-OG1 3.36Å; L100-T183 HydrophobicContact CD1-CG2 3.88Å; L100-T183 HydrophobicContact CG-CG2 4.35Å; V101-T183 PolarHBondContact O-N 2.92Å; H102-T183 HydrophobicContact CB-CG2 4.08Å; F103-T183 PolarHBondContact N-O 2.88Å; F122-T183 HydrophobicContact CE2-CG2 4.43Å; F122-T183 HydrophobicContact CZ-CG2 3.92Å; T183-D226 WeakPolarHBondContact CA-OD1 3.5Å; T183-D226 WeakPolarHBondContact CB-OD1 3.27Å; T183-D226 PolarHBondContact OG1-OD1 3.48Å
184	F	98.6	Very high	97.5	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	100.8	178.8	-163	-71.9	0	0	0	110.4	F103 L182 I186 C188 L189 A210 V214 D226 V227 V228	F103-F184 HydrophobicContact CB-CD2 3.53Å; F103-F184 HydrophobicContact CB-CE2 3.75Å; F103-F184 HydrophobicContact CB-CG 4.02Å; F103-F184 HydrophobicContact CB-CZ 4.4Å; F103-F184 HydrophobicContact CD1-CD2 4.23Å; F103-F184 AromaticContact CD1-CE2 3.86Å; F103-F184 HydrophobicContact CD1-CE2 3.86Å; F103-F184 AromaticContact CD2-CD2 3.8Å; F103-F184 HydrophobicContact CD2-CD2 3.8Å; F103-F184 HydrophobicContact CD2-CE2 4.26Å; F103-F184 AromaticContact CG-CD2 3.61Å; F103-F184 HydrophobicContact CG-CD2 3.61Å; F103-F184 AromaticContact CG-CE2 3.71Å; F103-F184 HydrophobicContact CG-CE2 3.71Å; L182-F184 HydrophobicContact CD2-CB 4.26Å; F184-I186 HydrophobicContact CE1-CD1 4.26Å; F184-C188 HydrophobicContact CE1-CB 4.42Å; F184-C188 HydrophobicContact CZ-CB 4.39Å; F184-L189 HydrophobicContact CE1-CG 4.44Å; F184-L189 HydrophobicContact CZ-CD2 4.22Å; F184-L189 HydrophobicContact CZ-CG 4.44Å; F184-A210 HydrophobicContact CE2-CB 4.12Å; F184-A210 HydrophobicContact CZ-CB 3.87Å; F184-V214 HydrophobicContact CD2-CG2 4.12Å; F184-V214 HydrophobicContact CE2-CG2 4.1Å; F184-D226 PolarHBondContact N-O 3.29Å; F184-V227 HydrophobicContact CB-CG2 4.37Å; F184-V227 CarbonylContact O-C 3.52Å; F184-V227 VanDerWaalsContact O-CA 3.26Å; F184-V227 WeakPolarHBondContact O-CA 3.31Å; F184-V228 PolarHBondContact O-N 3.45Å
185	D	98.5	Very high	97.2	Very high	3 Å²	3	30 Å²	30	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.5	164.3	-161.3	-48.4	0	0	0	109.6	H81 F103 D104 D187 C188 V228 E229	H81-D185 IonicContact CE1-OD2 2.65Å; H81-D185 IonicContact CG-OD2 3.89Å; H81-D185 IonicContact ND1-OD2 3.29Å; H81-D185 PolarHBondContact ND1-OD2 2.92Å; H81-D185 VanDerWaalsContact ND1-OD2 3.12Å; F103-D185 WeakPolarHBondContact O-CB 3.49Å; F103-D185 PolarHBondContact O-N 3.49Å; D104-D185 HydrophobicContact CB-CB 4.01Å; D104-D185 VanDerWaalsContact CG-CB 3.47Å; D104-D185 WeakPolarHBondContact OD2-CB 3.34Å; D185-D187 PolarHBondContact O-N 2.78Å; D185-D187 WeakPolarHBondContact OD1-CB 3.05Å; D185-D187 PolarHBondContact OD1-N 3.25Å; D185-C188 WeakPolarHBondContact O-CB 3.49Å; D185-C188 PolarHBondContact O-N 3.48Å; D185-V228 HydrophobicContact CB-CG2 4.01Å; D185-E229 VanDerWaalsContact OD1-CB 3.32Å; D185-E229 WeakPolarHBondContact OD1-CB 3.31Å; D185-E229 WeakPolarHBondContact OD2-CG 3.35Å
186	I	97.1	Very high	96.9	Very high	34 Å²	34	30.3 Å²	30.3	17%	0.174	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63.6	-25.4	-179.9	-157.4	65.2	0	0	0	111.8	F184 C188 L189 A194 V228 E229 V230	F184-I186 HydrophobicContact CE1-CD1 4.26Å; I186-C188 PolarHBondContact O-N 3.16Å; I186-L189 HydrophobicContact CD1-CD1 3.97Å; I186-L189 WeakPolarHBondContact O-CB 3.36Å; I186-L189 PolarHBondContact O-N 2.68Å; I186-L189 VanDerWaalsContact O-N 3.09Å; I186-A194 HydrophobicContact CG1-CB 3.89Å; I186-A194 WeakPolarHBondContact O-CB 3.43Å; I186-V228 PolarHBondContact N-O 2.88Å; I186-E229 HydrophobicContact CG2-CB 4.28Å; I186-V230 HydrophobicContact CB-CG2 4.04Å; I186-V230 HydrophobicContact CG1-CG2 4.14Å; I186-V230 HydrophobicContact CG2-CG2 4.07Å
187	D	97	Very high	96.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-72.1	-5.2	176.5	86.9	16.6	0	0	0	113.4	A105 H106 R142 D185 L189 T197 T199	A105-D187 WeakPolarHBondContact CB-OD1 3.34Å; A105-D187 PolarHBondContact N-OD1 2.99Å; A105-D187 VanDerWaalsContact N-OD1 3.07Å; H106-D187 IonicContact CE1-OD1 3.97Å; H106-D187 IonicContact CE1-OD2 3.76Å; H106-D187 PolarHBondContact CE1-OD2 3.06Å; H106-D187 IonicContact ND1-OD1 3Å; H106-D187 IonicContact ND1-OD2 3.11Å; H106-D187 PolarHBondContact ND1-OD2 3.09Å; H106-D187 VanDerWaalsContact ND1-OD2 3.11Å; R142-D187 PolarHBondContact NH1-O 2.9Å; R142-D187 PolarHBondContact NH2-O 3.21Å; D185-D187 PolarHBondContact O-N 2.78Å; D185-D187 WeakPolarHBondContact OD1-CB 3.05Å; D185-D187 PolarHBondContact OD1-N 3.25Å; D187-L189 PolarHBondContact O-N 2.87Å; D187-T197 HydrophobicContact CB-CG2 3.76Å; D187-T199 PolarHBondContact OD2-OG1 3.13Å
188	C	98.1	Very high	96.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-54.2	-34.2	162.5	-174.4	0	0	0	0	111.4	F103 I139 R142 F184 D185 I186 L205	F103-C188 HydrophobicContact CB-CB 4.08Å; I139-C188 PolarHBondContact O-SG 2.86Å; I139-C188 VanDerWaalsContact O-SG 3.38Å; R142-C188 PolarHBondContact NH1-O 3.3Å; F184-C188 HydrophobicContact CE1-CB 4.42Å; F184-C188 HydrophobicContact CZ-CB 4.39Å; D185-C188 WeakPolarHBondContact O-CB 3.49Å; D185-C188 PolarHBondContact O-N 3.48Å; I186-C188 PolarHBondContact O-N 3.16Å; C188-L205 PolarHBondContact O-N 2.96Å; C188-L205 VanDerWaalsContact O-N 3.15Å
189	L	98.2	Very high	96	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.079	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-74.8	151.7	176.1	-55.3	-176.8	0	0	0	111.2	R142 F184 I186 D187 F193 A194 L205 A210	R142-L189 PolarHBondContact NH2-O 2.82Å; R142-L189 VanDerWaalsContact NH2-O 3.09Å; F184-L189 HydrophobicContact CE1-CG 4.44Å; F184-L189 HydrophobicContact CZ-CD2 4.22Å; F184-L189 HydrophobicContact CZ-CG 4.44Å; I186-L189 HydrophobicContact CD1-CD1 3.97Å; I186-L189 WeakPolarHBondContact O-CB 3.36Å; I186-L189 PolarHBondContact O-N 2.68Å; I186-L189 VanDerWaalsContact O-N 3.09Å; D187-L189 PolarHBondContact O-N 2.87Å; L189-F193 HydrophobicContact CB-CB 4.39Å; L189-A194 HydrophobicContact CB-CB 3.79Å; L189-A194 HydrophobicContact CD1-CB 4.26Å; L189-L205 WeakPolarHBondContact CA-O 3.45Å; L189-L205 HydrophobicContact CD2-CB 4.16Å; L189-A210 HydrophobicContact CD2-CB 3.48Å; L189-A210 VanDerWaalsContact CD2-CB 3.48Å
190	D	97.7	Very high	95.8	Very high	36 Å²	36	25.8 Å²	25.8	19%	0.193	17%	0.167	C	C	.	.			trans	-62.6	145.3	171.9	-170.8	-89.3	0	0	0	110.4	A192 F193 A194 G203 G204 L205	D190-A192 PolarHBondContact O-N 3.29Å; D190-A192 VanDerWaalsContact OD1-CB 3.24Å; D190-A192 WeakPolarHBondContact OD1-CB 3.18Å; D190-A192 PolarHBondContact OD1-N 2.84Å; D190-F193 HydrophobicContact CB-CD2 4.08Å; D190-F193 WeakPolarHBondContact O-CA 3.17Å; D190-F193 PolarHBondContact O-N 3.08Å; D190-A194 PolarHBondContact O-N 3.32Å; D190-G203 WeakPolarHBondContact OD2-CA 3.2Å; D190-G203 PolarHBondContact OD2-N 3.38Å; D190-G204 PolarHBondContact OD2-N 3.29Å; D190-G204 VanDerWaalsContact OD2-N 3.07Å; D190-L205 PolarHBondContact N-O 2.72Å
191	P	94.2	Very high	95.6	Very high	33 Å²	33	27.3 Å²	27.3	21%	0.214	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.5	177.4	-28.6	36.6	0	0	0	114.3	F193 P200 V201	P191-F193 PolarHBondContact O-N 3.25Å; P191-P200 HydrophobicContact CB-CB 4.27Å; P191-P200 HydrophobicContact CG-CB 3.83Å; P191-V201 VanDerWaalsContact CD-O 3.28Å; P191-V201 WeakPolarHBondContact CD-O 3.18Å
192	A	95.1	Very high	95.5	Very high	80 Å²	80	34.1 Å²	34.1	66%	0.661	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23	169.8	0	0	0	0	0	114	D190	D190-A192 PolarHBondContact O-N 3.29Å; D190-A192 VanDerWaalsContact OD1-CB 3.24Å; D190-A192 WeakPolarHBondContact OD1-CB 3.18Å; D190-A192 PolarHBondContact OD1-N 2.84Å
193	F	96	Very high	95.4	Very high	103 Å²	103	36.1 Å²	36.1	45%	0.452	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-25.3	179.1	-58.7	-87	0	0	0	113.4	L189 D190 P191 T206	L189-F193 HydrophobicContact CB-CB 4.39Å; D190-F193 HydrophobicContact CB-CD2 4.08Å; D190-F193 WeakPolarHBondContact O-CA 3.17Å; D190-F193 PolarHBondContact O-N 3.08Å; P191-F193 PolarHBondContact O-N 3.25Å; F193-T206 HydrophobicContact CE2-CG2 3.7Å; F193-T206 HydrophobicContact CZ-CG2 3.73Å
194	A	94.5	Very high	95.3	Very high	7 Å²	7	36.4 Å²	36.4	6%	0.058	24%	0.235	C	C	.	.			trans	-130.8	67.5	177.5	0	0	0	0	0	111.6	I186 L189 D190 G196	I186-A194 HydrophobicContact CG1-CB 3.89Å; I186-A194 WeakPolarHBondContact O-CB 3.43Å; L189-A194 HydrophobicContact CB-CB 3.79Å; L189-A194 HydrophobicContact CD1-CB 4.26Å; D190-A194 PolarHBondContact O-N 3.32Å; A194-G196 VanDerWaalsContact C-N 3.25Å; A194-G196 PolarHBondContact O-N 2.83Å
195	P	91.5	Very high	95.3	Very high	35 Å²	35	35.7 Å²	35.7	23%	0.227	23%	0.231	C	C	.	.			trans	-69.7	-26.3	178.2	29.3	-34.6	0	0	0	112.3	T197 Q236	P195-T197 VanDerWaalsContact C-N 3.32Å; P195-T197 PolarHBondContact O-N 3.11Å; P195-Q236 HydrophobicContact CB-CG 3.84Å; P195-Q236 HydrophobicContact CG-CB 4.1Å; P195-Q236 HydrophobicContact CG-CG 3.84Å
196	G	92.4	Very high	95.3	Very high	7 Å²	7	38 Å²	38	7%	0.072	25%	0.246	C	C	.	.	S	Bend	trans	-80.2	63.4	179.2	0	0	0	0	0	114	A194 A231	A194-G196 VanDerWaalsContact C-N 3.25Å; A194-G196 PolarHBondContact O-N 2.83Å; G196-A231 CarbonylContact C-O 3.36Å; G196-A231 WeakPolarHBondContact CA-O 3.12Å; G196-A231 PolarHBondContact O-N 3.43Å
197	T	90.5	Very high	95.3	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.025	25%	0.254	C	S	.	.	S	Bend	trans	-142.2	158.2	174.8	-177.2	0	0	0	0	111.9	D187 P195 P200 E229	D187-T197 HydrophobicContact CB-CG2 3.76Å; P195-T197 VanDerWaalsContact C-N 3.32Å; P195-T197 PolarHBondContact O-N 3.11Å; T197-P200 HydrophobicContact CG2-CB 4.04Å; T197-E229 WeakPolarHBondContact CA-O 3.25Å; T197-E229 PolarHBondContact OG1-O 2.64Å
198	G	90.2	Very high	95.3	Very high	47 Å²	47	42.9 Å²	42.9	49%	0.485	28%	0.276	S	S	.	.	S	Bend	trans	-73.6	-30	-178.5	0	0	0	0	0	114.9	P200	G198-P200 VanDerWaalsContact C-CD 3.48Å
199	T	93.7	Very high	95.3	Very high	44 Å²	44	44.6 Å²	44.6	27%	0.27	28%	0.282	S	S	.	.	S	Bend	trans	-128.9	56.9	-170.6	39.4	0	0	0	0	112.8	H106 D187 V201	H106-T199 PolarHBondContact CE1-O 2.86Å; D187-T199 PolarHBondContact OD2-OG1 3.13Å; T199-V201 WeakPolarHBondContact O-CG2 3.42Å; T199-V201 PolarHBondContact O-N 2.65Å
200	P	93.4	Very high	95.3	Very high	75 Å²	75	44 Å²	44	49%	0.487	28%	0.28	S	S	.	.			trans	-65.5	128.2	-174	27.7	-35.3	0	0	0	112.8	P191 T197 G198	P191-P200 HydrophobicContact CB-CB 4.27Å; P191-P200 HydrophobicContact CG-CB 3.83Å; T197-P200 HydrophobicContact CG2-CB 4.04Å; G198-P200 VanDerWaalsContact C-CD 3.48Å
201	V	94.1	Very high	95.3	Very high	32 Å²	32	46.3 Å²	46.3	19%	0.194	29%	0.291	C	S	.	.			trans	-123	125.6	175.9	-169.2	0	0	0	0	110.9	A105 R142 T143 P191 T199	A105-V201 HydrophobicContact CB-CB 3.98Å; A105-V201 HydrophobicContact CB-CG2 3.91Å; R142-V201 HydrophobicContact CG-CB 4.29Å; R142-V201 HydrophobicContact CG-CG1 3.79Å; R142-V201 VanDerWaalsContact CZ-O 3.3Å; R142-V201 PolarHBondContact NE-O 3.42Å; R142-V201 PolarHBondContact NH2-O 3.06Å; T143-V201 HydrophobicContact CG2-CG1 4.36Å; T143-V201 HydrophobicContact CG2-CG2 3.92Å; P191-V201 VanDerWaalsContact CD-O 3.28Å; P191-V201 WeakPolarHBondContact CD-O 3.18Å; T199-V201 WeakPolarHBondContact O-CG2 3.42Å; T199-V201 PolarHBondContact O-N 2.65Å
202	I	96.8	Very high	95.5	Very high	143 Å²	143	49.1 Å²	49.1	73%	0.733	30%	0.3	S	S	*	.	S	Bend	trans	-64.8	158.9	-179.8	65.4	168.8	0	0	0	112.9	R142	R142-I202 VanDerWaalsContact CD-O 3.26Å; R142-I202 WeakPolarHBondContact CD-O 3.1Å; R142-I202 PolarHBondContact NE-O 2.79Å
203	G	96.4	Very high	95.6	Very high	43 Å²	43	45.4 Å²	45.4	44%	0.443	27%	0.27	S	S	.	.	S	Bend	trans	81	27.1	176.3	0	0	0	0	0	113.3	R142 A156 D190	R142-G203 WeakPolarHBondContact CD-O 3.39Å; A156-G203 VanDerWaalsContact CB-O 3.32Å; A156-G203 WeakPolarHBondContact CB-O 3.33Å; D190-G203 WeakPolarHBondContact OD2-CA 3.2Å; D190-G203 PolarHBondContact OD2-N 3.38Å
204	G	97.6	Very high	95.7	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	26%	0.261	C	S	.	.			trans	-81.7	-167.5	-177.8	0	0	0	0	0	114.1	N160 D190	N160-G204 PolarHBondContact ND2-O 3.34Å; N160-G204 VanDerWaalsContact ND2-O 3.17Å; D190-G204 PolarHBondContact OD2-N 3.29Å; D190-G204 VanDerWaalsContact OD2-N 3.07Å
205	L	98.4	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-81.3	152.6	176	-84.9	63.5	0	0	0	111.3	V159 C188 L189 D190 R209 A210 L213	V159-L205 HydrophobicContact CB-CD1 4.48Å; V159-L205 HydrophobicContact CG1-CD1 4.05Å; V159-L205 HydrophobicContact CG1-CD2 3.99Å; V159-L205 HydrophobicContact CG1-CG 4.16Å; C188-L205 PolarHBondContact O-N 2.96Å; C188-L205 VanDerWaalsContact O-N 3.15Å; L189-L205 WeakPolarHBondContact CA-O 3.45Å; L189-L205 HydrophobicContact CD2-CB 4.16Å; D190-L205 PolarHBondContact N-O 2.72Å; L205-R209 HydrophobicContact CD2-CG 4.46Å; L205-A210 HydrophobicContact CD2-CB 4.45Å; L205-L213 HydrophobicContact CD2-CD1 3.73Å
206	T	98	Very high	96.2	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.319	29%	0.287	S	S	.	.			trans	-76.8	153.5	162.5	70.2	0	0	0	0	110.4	F193 D208 R209 A210	F193-T206 HydrophobicContact CE2-CG2 3.7Å; F193-T206 HydrophobicContact CZ-CG2 3.73Å; T206-D208 VanDerWaalsContact C-N 3.27Å; T206-D208 PolarHBondContact O-N 3.23Å; T206-R209 PolarHBondContact O-N 3.03Å; T206-R209 VanDerWaalsContact O-N 3.13Å; T206-R209 WeakPolarHBondContact OG1-CB 3.17Å; T206-R209 PolarHBondContact OG1-N 3.35Å; T206-A210 PolarHBondContact O-N 3.11Å
207	S	96.9	Very high	96.4	Very high	49 Å²	49	49.7 Å²	49.7	34%	0.343	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-36.9	175.5	58	0	0	0	0	112.7	R209 A210 I211	S207-R209 VanDerWaalsContact C-N 3.35Å; S207-R209 PolarHBondContact O-N 3.26Å; S207-A210 PolarHBondContact O-N 2.99Å; S207-I211 WeakPolarHBondContact O-CB 3.38Å; S207-I211 WeakPolarHBondContact O-CD1 3.35Å; S207-I211 VanDerWaalsContact O-CG1 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.43Å; S207-I211 PolarHBondContact O-N 2.76Å
208	D	98	Very high	96.7	Very high	88 Å²	88	57.2 Å²	57.2	47%	0.471	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-46	173.8	172	76.5	0	0	0	111.9	T206 K212	T206-D208 VanDerWaalsContact C-N 3.27Å; T206-D208 PolarHBondContact O-N 3.23Å; D208-K212 VanDerWaalsContact O-CG 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.31Å; D208-K212 PolarHBondContact O-N 3.06Å; D208-K212 VanDerWaalsContact O-N 3.11Å; D208-K212 WeakPolarHBondContact OD1-CE 3.43Å; D208-K212 IonicContact OD1-NZ 2.99Å; D208-K212 PolarHBondContact OD1-NZ 3Å; D208-K212 WeakPolarHBondContact OD2-CE 3.31Å; D208-K212 IonicContact OD2-NZ 2.68Å; D208-K212 PolarHBondContact OD2-NZ 2.97Å
209	R	97.8	Very high	96.9	Very high	36 Å²	36	60.4 Å²	60.4	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-49	179.8	-171	169.8	-161.8	86.3	16.7	111.5	V159 R162 V164 L205 T206 S207 I211 K212 L213	V159-R209 PolarHBondContact O-NE 3.41Å; V159-R209 PolarHBondContact O-NH2 2.98Å; R162-R209 PolarHBondContact O-NH2 3.17Å; V164-R209 HydrophobicContact CG2-CG 4.4Å; L205-R209 HydrophobicContact CD2-CG 4.46Å; T206-R209 PolarHBondContact O-N 3.03Å; T206-R209 VanDerWaalsContact O-N 3.13Å; T206-R209 WeakPolarHBondContact OG1-CB 3.17Å; T206-R209 PolarHBondContact OG1-N 3.35Å; S207-R209 VanDerWaalsContact C-N 3.35Å; S207-R209 PolarHBondContact O-N 3.26Å; R209-I211 PolarHBondContact O-N 2.89Å; R209-K212 PolarHBondContact O-N 3.26Å; R209-L213 HydrophobicContact CG-CD1 4.28Å; R209-L213 WeakPolarHBondContact O-CG 3.5Å; R209-L213 PolarHBondContact O-N 3.44Å
210	A	98	Very high	97.1	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-46	179.1	0	0	0	0	0	112.2	F184 L189 L205 T206 S207 K212 L213 V214	F184-A210 HydrophobicContact CE2-CB 4.12Å; F184-A210 HydrophobicContact CZ-CB 3.87Å; L189-A210 HydrophobicContact CD2-CB 3.48Å; L189-A210 VanDerWaalsContact CD2-CB 3.48Å; L205-A210 HydrophobicContact CD2-CB 4.45Å; T206-A210 PolarHBondContact O-N 3.11Å; S207-A210 PolarHBondContact O-N 2.99Å; A210-K212 VanDerWaalsContact C-N 3.32Å; A210-K212 PolarHBondContact O-N 3.5Å; A210-L213 PolarHBondContact O-N 3.09Å; A210-V214 WeakPolarHBondContact O-CG2 3.4Å; A210-V214 PolarHBondContact O-N 2.97Å
211	I	97.3	Very high	97.3	Very high	83 Å²	83	59.5 Å²	59.5	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-41.1	177.7	-72	167.1	0	0	0	111.4	S207 R209 R215	S207-I211 WeakPolarHBondContact O-CB 3.38Å; S207-I211 WeakPolarHBondContact O-CD1 3.35Å; S207-I211 VanDerWaalsContact O-CG1 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.43Å; S207-I211 PolarHBondContact O-N 2.76Å; R209-I211 PolarHBondContact O-N 2.89Å; I211-R215 HydrophobicContact CG2-CG 4.34Å; I211-R215 WeakPolarHBondContact O-CB 3.39Å; I211-R215 WeakPolarHBondContact O-CG 3.27Å; I211-R215 PolarHBondContact O-N 3.46Å
212	K	98.6	Very high	97.5	Very high	92 Å²	92	60.7 Å²	60.7	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-42.3	177.4	-73	170.1	178.5	164.7	0	111.9	V164 D208 R209 A210 R215 G216	V164-K212 HydrophobicContact CG1-CB 3.67Å; V164-K212 HydrophobicContact CG2-CB 4.25Å; V164-K212 HydrophobicContact CG2-CD 4.32Å; D208-K212 VanDerWaalsContact O-CG 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.31Å; D208-K212 PolarHBondContact O-N 3.06Å; D208-K212 VanDerWaalsContact O-N 3.11Å; D208-K212 WeakPolarHBondContact OD1-CE 3.43Å; D208-K212 IonicContact OD1-NZ 2.99Å; D208-K212 PolarHBondContact OD1-NZ 3Å; D208-K212 WeakPolarHBondContact OD2-CE 3.31Å; D208-K212 IonicContact OD2-NZ 2.68Å; D208-K212 PolarHBondContact OD2-NZ 2.97Å; R209-K212 PolarHBondContact O-N 3.26Å; A210-K212 VanDerWaalsContact C-N 3.32Å; A210-K212 PolarHBondContact O-N 3.5Å; K212-R215 PolarHBondContact O-N 2.88Å; K212-G216 PolarHBondContact O-N 3.45Å
213	L	98.5	Very high	97.5	Very high	3 Å²	3	54 Å²	54	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-55.7	174.3	-69.5	171	0	0	0	110.2	F103 I139 V159 V164 V167 I168 L205 R209 A210 R215 G216 L217	F103-L213 HydrophobicContact CE1-CB 3.95Å; F103-L213 HydrophobicContact CE1-CD1 3.94Å; F103-L213 HydrophobicContact CZ-CB 4.06Å; I139-L213 HydrophobicContact CG2-CD1 4.38Å; V159-L213 HydrophobicContact CG1-CD1 4.05Å; V164-L213 HydrophobicContact CG1-CD2 3.77Å; V164-L213 HydrophobicContact CG1-CG 4.15Å; V167-L213 HydrophobicContact CB-CD2 3.74Å; V167-L213 HydrophobicContact CG1-CD2 3.57Å; I168-L213 HydrophobicContact CG1-CD2 4.14Å; L205-L213 HydrophobicContact CD2-CD1 3.73Å; R209-L213 HydrophobicContact CG-CD1 4.28Å; R209-L213 WeakPolarHBondContact O-CG 3.5Å; R209-L213 PolarHBondContact O-N 3.44Å; A210-L213 PolarHBondContact O-N 3.09Å; L213-R215 VanDerWaalsContact C-N 3.35Å; L213-R215 PolarHBondContact O-N 3.08Å; L213-G216 WeakPolarHBondContact O-CA 3.46Å; L213-G216 PolarHBondContact O-N 3.15Å; L213-L217 WeakPolarHBondContact O-CG 3.47Å; L213-L217 PolarHBondContact O-N 3.1Å
214	V	97.7	Very high	97.5	Very high	44 Å²	44	52 Å²	52	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-44.9	179.6	174.4	0	0	0	0	111.9	F103 F184 A210 G216 L217	F103-V214 HydrophobicContact CE2-CG2 4.31Å; F103-V214 HydrophobicContact CZ-CG2 4.24Å; F184-V214 HydrophobicContact CD2-CG2 4.12Å; F184-V214 HydrophobicContact CE2-CG2 4.1Å; A210-V214 WeakPolarHBondContact O-CG2 3.4Å; A210-V214 PolarHBondContact O-N 2.97Å; V214-G216 VanDerWaalsContact C-N 3.26Å; V214-G216 PolarHBondContact O-N 3.03Å; V214-L217 WeakPolarHBondContact O-CB 3.47Å; V214-L217 PolarHBondContact O-N 3.02Å; V214-L217 VanDerWaalsContact O-N 3.12Å
215	R	97.7	Very high	97.6	Very high	177 Å²	177	53.7 Å²	53.7	67%	0.668	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-34.3	175.9	-76.5	173.2	177.7	167.9	2.5	112.9	I211 K212 L213 L217 K218	I211-R215 HydrophobicContact CG2-CG 4.34Å; I211-R215 WeakPolarHBondContact O-CB 3.39Å; I211-R215 WeakPolarHBondContact O-CG 3.27Å; I211-R215 PolarHBondContact O-N 3.46Å; K212-R215 PolarHBondContact O-N 2.88Å; L213-R215 VanDerWaalsContact C-N 3.35Å; L213-R215 PolarHBondContact O-N 3.08Å; R215-L217 PolarHBondContact O-N 2.91Å; R215-K218 WeakPolarHBondContact O-CB 3.15Å; R215-K218 PolarHBondContact O-N 3.34Å
216	G	98	Very high	97.5	Very high	16 Å²	16	53.7 Å²	53.7	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-21.7	177.2	0	0	0	0	0	114.6	K172 K212 L213 V214 K218	K172-G216 WeakPolarHBondContact CE-O 3.45Å; K172-G216 PolarHBondContact NZ-O 3.44Å; K212-G216 PolarHBondContact O-N 3.45Å; L213-G216 WeakPolarHBondContact O-CA 3.46Å; L213-G216 PolarHBondContact O-N 3.15Å; V214-G216 VanDerWaalsContact C-N 3.26Å; V214-G216 PolarHBondContact O-N 3.03Å; G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 3.21Å
217	L	97.8	Very high	97.5	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	1.3	180	-57.1	-176.9	0	0	0	113.8	V101 F103 I168 V171 L182 L213 V214 R215 D219 L220	V101-L217 HydrophobicContact CG1-CD1 3.87Å; F103-L217 HydrophobicContact CE2-CD1 4.03Å; F103-L217 HydrophobicContact CZ-CD1 4.14Å; I168-L217 HydrophobicContact CG2-CD2 4.5Å; V171-L217 HydrophobicContact CB-CD2 4.15Å; V171-L217 HydrophobicContact CG1-CD2 3.57Å; L182-L217 HydrophobicContact CD1-CD1 3.8Å; L213-L217 WeakPolarHBondContact O-CG 3.47Å; L213-L217 PolarHBondContact O-N 3.1Å; V214-L217 WeakPolarHBondContact O-CB 3.47Å; V214-L217 PolarHBondContact O-N 3.02Å; V214-L217 VanDerWaalsContact O-N 3.12Å; R215-L217 PolarHBondContact O-N 2.91Å; L217-D219 PolarHBondContact O-N 3.46Å; L217-L220 HydrophobicContact CB-CD1 4.06Å; L217-L220 HydrophobicContact CB-CG 4.5Å; L217-L220 HydrophobicContact CD2-CD1 3.9Å; L217-L220 HydrophobicContact CG-CD1 4.39Å; L217-L220 WeakPolarHBondContact O-CB 3.35Å; L217-L220 PolarHBondContact O-N 3.47Å
218	K	95.6	Very high	97.5	Very high	163 Å²	163	50.4 Å²	50.4	71%	0.709	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-24.7	-176.1	68.7	175.3	-171.8	176.1	0	115.9	R215 G216	R215-K218 WeakPolarHBondContact O-CB 3.15Å; R215-K218 PolarHBondContact O-N 3.34Å; G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 3.21Å
219	D	95.2	Very high	97.4	Very high	114 Å²	114	46.9 Å²	46.9	61%	0.61	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.5	-176.7	-49.4	-54	0	0	0	112.4	K172 L217	K172-D219 IonicContact NZ-OD2 2.94Å; K172-D219 PolarHBondContact NZ-OD2 3.1Å; L217-D219 PolarHBondContact O-N 3.46Å
220	L	97.8	Very high	97.1	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.12	24%	0.244	C	C	.	.	S	Bend	trans	-74	153.7	174.4	-65.4	-176.1	0	0	0	111.1	V171 K172 V175 V180 L217 I222	V171-L220 HydrophobicContact CG1-CD1 4.4Å; K172-L220 HydrophobicContact CB-CD2 4.45Å; K172-L220 HydrophobicContact CG-CD2 3.9Å; K172-L220 HydrophobicContact CG-CG 4.45Å; V175-L220 HydrophobicContact CG2-CD1 3.89Å; V175-L220 HydrophobicContact CG2-CD2 3.46Å; V175-L220 VanDerWaalsContact CG2-CD2 3.46Å; V175-L220 HydrophobicContact CG2-CG 4.31Å; V180-L220 HydrophobicContact CG2-CB 4.3Å; V180-L220 HydrophobicContact CG2-CD1 4.41Å; L217-L220 HydrophobicContact CB-CD1 4.06Å; L217-L220 HydrophobicContact CB-CG 4.5Å; L217-L220 HydrophobicContact CD2-CD1 3.9Å; L217-L220 HydrophobicContact CG-CD1 4.39Å; L217-L220 WeakPolarHBondContact O-CB 3.35Å; L217-L220 PolarHBondContact O-N 3.47Å; L220-I222 HydrophobicContact CB-CG1 4.03Å; L220-I222 PolarHBondContact O-N 3.28Å
221	N	97.4	Very high	96.8	Very high	77 Å²	77	50 Å²	50	41%	0.412	25%	0.252	S	S	.	.			trans	-76.2	65.5	173.4	-177.1	19.1	0	0	0	111.3	V180 V223	V180-N221 PolarHBondContact N-O 2.76Å; N221-V223 PolarHBondContact O-N 2.99Å
222	I	97.6	Very high	96.4	Very high	56 Å²	56	49.6 Å²	49.6	29%	0.287	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	114.7	-179.6	-57.6	176.1	0	0	0	109.4	V180 L182 L220 G224	V180-I222 HydrophobicContact CB-CG1 4.45Å; V180-I222 CarbonylContact O-C 3.53Å; V180-I222 WeakPolarHBondContact O-CA 3.35Å; L182-I222 HydrophobicContact CD1-CD1 4.21Å; L220-I222 HydrophobicContact CB-CG1 4.03Å; L220-I222 PolarHBondContact O-N 3.28Å; I222-G224 WeakPolarHBondContact CG2-O 3.39Å
223	V	97.3	Very high	95.8	Very high	2 Å²	2	50 Å²	50	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-19	-177	-64.1	0	0	0	0	114.2	R73 F95 M98 P179 V180 N221	R73-V223 WeakPolarHBondContact CD-O 3.29Å; R73-V223 VanDerWaalsContact NH1-CA 3.32Å; R73-V223 VanDerWaalsContact NH1-CG1 3.34Å; R73-V223 PolarHBondContact NH1-O 3.05Å; F95-V223 HydrophobicContact CB-CG1 4.48Å; F95-V223 HydrophobicContact CB-CG2 4.33Å; F95-V223 HydrophobicContact CD1-CB 4.24Å; F95-V223 HydrophobicContact CD1-CG1 3.94Å; F95-V223 HydrophobicContact CD2-CB 3.73Å; F95-V223 HydrophobicContact CD2-CG1 4.3Å; F95-V223 HydrophobicContact CD2-CG2 3.83Å; F95-V223 HydrophobicContact CE1-CB 4.46Å; F95-V223 HydrophobicContact CE1-CG1 4.33Å; F95-V223 HydrophobicContact CE2-CB 3.95Å; F95-V223 HydrophobicContact CE2-CG2 4.45Å; F95-V223 HydrophobicContact CG-CB 3.91Å; F95-V223 HydrophobicContact CG-CG1 3.95Å; F95-V223 HydrophobicContact CG-CG2 4.07Å; F95-V223 HydrophobicContact CZ-CB 4.35Å; M98-V223 HydrophobicContact CG-CG2 4.49Å; M98-V223 HydrophobicContact SD-CG2 3.58Å; M98-V223 VanDerWaalsContact SD-CG2 3.58Å; P179-V223 HydrophobicContact CB-CG1 3.76Å; P179-V223 HydrophobicContact CB-CG2 4.04Å; V180-V223 WeakPolarHBondContact O-CG2 3.45Å; V180-V223 PolarHBondContact O-N 3.4Å; N221-V223 PolarHBondContact O-N 2.99Å
224	G	97.3	Very high	95.2	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	156.2	176.5	0	0	0	0	0	110.8	L182 I222	L182-G224 PolarHBondContact N-O 3.29Å; L182-G224 VanDerWaalsContact N-O 3.08Å; I222-G224 WeakPolarHBondContact CG2-O 3.39Å
225	M	97.9	Very high	94.6	Very high	42 Å²	42	57.6 Å²	57.6	21%	0.207	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.7	176.5	179.8	172.5	174.4	0	0	111.7	M74 L75 S76 L182 V227	M74-M225 PolarHBondContact O-N 3.24Å; L75-M225 CarbonylContact C-O 3.56Å; L75-M225 VanDerWaalsContact CA-O 3.23Å; L75-M225 WeakPolarHBondContact CA-O 3.39Å; L75-M225 HydrophobicContact CD1-CB 3.92Å; L75-M225 HydrophobicContact CD1-CE 4.41Å; L75-M225 HydrophobicContact CD1-CG 3.64Å; L75-M225 HydrophobicContact CD1-SD 4Å; S76-M225 PolarHBondContact N-O 3.04Å; L182-M225 HydrophobicContact CB-CG 4.31Å; L182-M225 HydrophobicContact CD2-CE 3.74Å; L182-M225 HydrophobicContact CD2-CG 4.02Å; L182-M225 HydrophobicContact CD2-SD 4.04Å; L182-M225 CarbonylContact O-C 3.52Å; L182-M225 WeakPolarHBondContact O-CA 3.25Å; L182-M225 WeakPolarHBondContact O-CG 3.4Å; M225-V227 HydrophobicContact CE-CG2 4.01Å
226	D	97.9	Very high	93.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.1	164.2	56.4	34.4	0	0	0	112.9	S76 T84 L87 Y181 L182 T183 F184 V228	S76-D226 CarbonylContact O-C 3.58Å; S76-D226 WeakPolarHBondContact O-CA 3.47Å; S76-D226 WeakPolarHBondContact O-CB 3.42Å; T84-D226 WeakPolarHBondContact CG2-OD2 3.34Å; T84-D226 PolarHBondContact OG1-OD2 3.42Å; L87-D226 HydrophobicContact CD1-CB 4.35Å; Y181-D226 VanDerWaalsContact CE1-OD2 3.27Å; Y181-D226 WeakPolarHBondContact CE1-OD2 3.35Å; Y181-D226 PolarHBondContact OH-OD2 3.18Å; L182-D226 PolarHBondContact O-N 3.25Å; L182-D226 VanDerWaalsContact O-N 3.1Å; T183-D226 WeakPolarHBondContact CA-OD1 3.5Å; T183-D226 WeakPolarHBondContact CB-OD1 3.27Å; T183-D226 PolarHBondContact OG1-OD1 3.48Å; F184-D226 PolarHBondContact N-O 3.29Å; D226-V228 HydrophobicContact CB-CG1 4.37Å
227	V	97.2	Very high	92.3	Very high	31 Å²	31	60.4 Å²	60.4	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.3	171.9	-177.3	0	0	0	0	107.6	S76 F77 G78 F184 M225	S76-V227 PolarHBondContact O-N 3.18Å; F77-V227 HydrophobicContact CD1-CB 4.18Å; F77-V227 HydrophobicContact CE1-CG2 4.46Å; G78-V227 PolarHBondContact N-O 3.49Å; F184-V227 HydrophobicContact CB-CG2 4.37Å; F184-V227 CarbonylContact O-C 3.52Å; F184-V227 VanDerWaalsContact O-CA 3.26Å; F184-V227 WeakPolarHBondContact O-CA 3.31Å; M225-V227 HydrophobicContact CE-CG2 4.01Å
228	V	96.5	Very high	89.9	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	175.2	-165.7	-58.1	0	0	0	0	112.6	H81 V83 F184 D185 I186 D226 V230	H81-V228 HydrophobicContact CB-CG2 3.94Å; V83-V228 HydrophobicContact CG2-CG1 3.98Å; F184-V228 PolarHBondContact O-N 3.45Å; D185-V228 HydrophobicContact CB-CG2 4.01Å; I186-V228 PolarHBondContact N-O 2.88Å; D226-V228 HydrophobicContact CB-CG1 4.37Å; V228-V230 PolarHBondContact O-N 2.88Å; V228-V230 VanDerWaalsContact O-N 3.08Å
229	E	96.6	Very high	89.7	Confident	15 Å²	15	66.8 Å²	66.8	7%	0.07	37%	0.365	C	S	.	.			trans	61.6	10.8	174.3	-63.3	-62.4	166.7	0	0	117.5	G79 D80 H81 H118 D185 I186 T197 A231	G79-E229 PolarHBondContact O-N 2.87Å; D80-E229 WeakPolarHBondContact CA-OE1 3.27Å; D80-E229 VanDerWaalsContact CB-OE1 3.23Å; D80-E229 WeakPolarHBondContact CB-OE1 3.4Å; H81-E229 HydrophobicContact CB-CG 4.36Å; H81-E229 PolarHBondContact N-OE1 3.45Å; H118-E229 IonicContact CE1-OE1 3.65Å; H118-E229 IonicContact CG-OE1 3.86Å; H118-E229 IonicContact ND1-OE1 3.12Å; H118-E229 PolarHBondContact ND1-OE1 3.23Å; D185-E229 VanDerWaalsContact OD1-CB 3.32Å; D185-E229 WeakPolarHBondContact OD1-CB 3.31Å; D185-E229 WeakPolarHBondContact OD2-CG 3.35Å; I186-E229 HydrophobicContact CG2-CB 4.28Å; T197-E229 WeakPolarHBondContact CA-O 3.25Å; T197-E229 PolarHBondContact OG1-O 2.64Å; E229-A231 PolarHBondContact O-N 3.46Å; E229-A231 VanDerWaalsContact O-N 3.12Å
230	V	90.8	Very high	89.4	Confident	82 Å²	82	64.3 Å²	64.3	50%	0.497	35%	0.353	S	S	.	.			trans	-65.7	116.9	169.1	-179.1	0	0	0	0	109.6	I186 V228 P232	I186-V230 HydrophobicContact CB-CG2 4.04Å; I186-V230 HydrophobicContact CG1-CG2 4.14Å; I186-V230 HydrophobicContact CG2-CG2 4.07Å; V228-V230 PolarHBondContact O-N 2.88Å; V228-V230 VanDerWaalsContact O-N 3.08Å; V230-P232 WeakPolarHBondContact O-CD 3.46Å
231	A	91.8	Very high	88.9	Confident	24 Å²	24	66.6 Å²	66.6	20%	0.198	37%	0.366	C	S	.	.			trans	-119	89.2	-179.6	0	0	0	0	0	110.6	G196 E229 A233 Y234	G196-A231 CarbonylContact C-O 3.36Å; G196-A231 WeakPolarHBondContact CA-O 3.12Å; G196-A231 PolarHBondContact O-N 3.43Å; E229-A231 PolarHBondContact O-N 3.46Å; E229-A231 VanDerWaalsContact O-N 3.12Å; A231-A233 PolarHBondContact O-N 3.34Å; A231-Y234 HydrophobicContact CB-CD2 3.87Å; A231-Y234 PolarHBondContact O-N 3.45Å
232	P	88.4	Confident	88.4	Confident	74 Å²	74	65.9 Å²	65.9	48%	0.481	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.5	-29.8	-172	-28.3	35.1	0	0	0	114.9	V230 Y234 D235	V230-P232 WeakPolarHBondContact O-CD 3.46Å; P232-Y234 PolarHBondContact O-N 3.01Å; P232-Y234 VanDerWaalsContact O-N 3.16Å; P232-D235 WeakPolarHBondContact O-CB 3.3Å; P232-D235 PolarHBondContact O-N 3.38Å
233	A	86.7	Confident	87.8	Confident	99 Å²	99	66.6 Å²	66.6	82%	0.818	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-63.2	-20.1	179.2	0	0	0	0	0	114.3	A231	A231-A233 PolarHBondContact O-N 3.34Å
234	Y	86.7	Confident	87.2	Confident	148 Å²	148	70.9 Å²	70.9	58%	0.58	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-103	-7.5	176	-61.3	-71.7	0	0	0	112.9	A231 P232 Q236	A231-Y234 HydrophobicContact CB-CD2 3.87Å; A231-Y234 PolarHBondContact O-N 3.45Å; P232-Y234 PolarHBondContact O-N 3.01Å; P232-Y234 VanDerWaalsContact O-N 3.16Å; Y234-Q236 PolarHBondContact O-NE2 3.32Å
235	D	84.1	Confident	86.5	Confident	59 Å²	59	75.8 Å²	75.8	32%	0.316	42%	0.418	S	S	.	.			trans	-67.6	148.9	-179.9	-159.7	6.9	0	0	0	110.7	P232	P232-D235 WeakPolarHBondContact O-CB 3.3Å; P232-D235 PolarHBondContact O-N 3.38Å
236	Q	82.3	Confident	85.6	Confident	159 Å²	159	78.4 Å²	78.4	74%	0.743	43%	0.434	S	S	*	.	S	Bend	trans	-105.7	4.3	-175.5	-59.4	-60.1	-51.2	0	0	112.3	P195 Y234	P195-Q236 HydrophobicContact CB-CG 3.84Å; P195-Q236 HydrophobicContact CG-CB 4.1Å; P195-Q236 HydrophobicContact CG-CG 3.84Å; Y234-Q236 PolarHBondContact O-NE2 3.32Å
237	S	66.4	Low	84.6	Confident	93 Å²	93	84.9 Å²	84.9	65%	0.65	47%	0.47	S	S	*	.			trans	-124.9	74.9	175.9	52.5	0	0	0	0	111.7
238	E	47.3	Very low	83.4	Confident	234 Å²	234	89.8 Å²	89.8	100%	1.093	50%	0.496	S	S	*	.			trans	-125.7	0	156.1	-76	-162	159.7	0	0	110.8

Retrieved 238 of 238 residues in 492.7 ms (Link to these results)

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