A0A3Q0KR02_SCHMA Loading...

Venom allergen-like (VAL) 21 protein

AlphaFold DB , UniProt , Accession A0A3Q0KR02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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	50	Low	55.9	Low	228 Å²	228	125.3 Å²	125.3	100%	1.123	68%	0.676	S	S	*	*				0	52.4	0	-70.4	171.4	145.9	0	0	112.6
2	R	55.3	Low	55.9	Low	245 Å²	245	124.8 Å²	124.8	93%	0.925	67%	0.672	S	S	*	*			trans	-124.5	1.5	178.4	-76.9	-169.9	177.6	-167.5	0.6	115.1
3	S	58.5	Low	55.7	Low	109 Å²	109	126.2 Å²	126.2	76%	0.762	67%	0.669	S	S	*	*	S	Bend	trans	-100.2	-21.5	-174.7	-170.3	0	0	0	0	114
4	T	55.6	Low	55.8	Low	104 Å²	104	124.4 Å²	124.4	64%	0.638	66%	0.658	S	S	*	*	S	Bend	trans	-83.7	-24.9	-176.6	25.3	0	0	0	0	115	L6 C7	T4-L6 VanDerWaalsContact C-N 3.35Å; T4-L6 PolarHBondContact O-N 3.41Å; T4-C7 PolarHBondContact O-N 3.47Å
5	I	57.3	Low	55.7	Low	122 Å²	122	124.6 Å²	124.6	63%	0.626	66%	0.659	S	S	*	*	H	α-helix	trans	-71.8	-30.6	-176	-61.6	174.7	0	0	0	111.7	C7	I5-C7 PolarHBondContact O-N 3.44Å
6	L	53.2	Low	55.7	Low	143 Å²	143	121 Å²	121	75%	0.749	65%	0.647	S	S	*	*	H	α-helix	trans	-70.4	-20.9	-179.8	-144	79.2	0	0	0	113	T4 T9	T4-L6 VanDerWaalsContact C-N 3.35Å; T4-L6 PolarHBondContact O-N 3.41Å; L6-T9 PolarHBondContact O-OG1 2.78Å
7	C	59.2	Low	55.6	Low	85 Å²	85	123.5 Å²	123.5	57%	0.574	65%	0.651	S	S	*	*	H	α-helix	trans	-81.3	-33.4	-177.9	-164.3	0	0	0	0	112.2	T4 I5 C10 T11	T4-C7 PolarHBondContact O-N 3.47Å; I5-C7 PolarHBondContact O-N 3.44Å; C7-C10 PolarHBondContact O-N 3.33Å; C7-T11 PolarHBondContact O-N 3.39Å
8	L	56.8	Low	55.6	Low	117 Å²	117	124.9 Å²	124.9	61%	0.613	65%	0.651	S	S	*	*	H	α-helix	trans	-71.4	-33.2	-177.9	-77.9	160.9	0	0	0	113.2	T11 L12	L8-T11 PolarHBondContact O-N 3.49Å; L8-T11 PolarHBondContact O-OG1 3.39Å; L8-L12 PolarHBondContact O-N 3.33Å
9	T	56.2	Low	55.3	Low	76 Å²	76	125.5 Å²	125.5	47%	0.466	66%	0.655	S	S	.	*	H	α-helix	trans	-72.9	-33.5	178.2	56.7	0	0	0	0	112	L6 L12 F13	L6-T9 PolarHBondContact O-OG1 2.78Å; T9-L12 PolarHBondContact O-N 3.19Å; T9-F13 PolarHBondContact O-N 3.39Å
10	C	56	Low	55.2	Low	81 Å²	81	127 Å²	127	55%	0.547	66%	0.659	S	S	.	*	H	α-helix	trans	-62.3	-40.8	172.5	-107.6	0	0	0	0	112	C7 L12 F13 I14	C7-C10 PolarHBondContact O-N 3.33Å; C10-L12 VanDerWaalsContact C-N 3.35Å; C10-L12 PolarHBondContact O-N 3.45Å; C10-F13 PolarHBondContact O-N 3.24Å; C10-I14 WeakPolarHBondContact O-CG1 3.39Å; C10-I14 PolarHBondContact O-N 3.37Å; C10-I14 VanDerWaalsContact O-N 3.14Å
11	T	56.7	Low	54.9	Low	68 Å²	68	126 Å²	126	42%	0.417	65%	0.654	S	S	.	*	H	α-helix	trans	-67.8	-32.6	179	50.7	0	0	0	0	113.4	C7 L8 L15	C7-T11 PolarHBondContact O-N 3.39Å; L8-T11 PolarHBondContact O-N 3.49Å; L8-T11 PolarHBondContact O-OG1 3.39Å; T11-L15 WeakPolarHBondContact O-CG 3.4Å; T11-L15 PolarHBondContact O-N 3.12Å
12	L	56.4	Low	55.2	Low	120 Å²	120	120.2 Å²	120.2	63%	0.628	63%	0.631	S	S	*	*	H	α-helix	trans	-74.5	-33.1	177.1	-76.1	166.4	0	0	0	112.7	L8 T9 C10 L15	L8-L12 PolarHBondContact O-N 3.33Å; T9-L12 PolarHBondContact O-N 3.19Å; C10-L12 VanDerWaalsContact C-N 3.35Å; C10-L12 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 2.84Å
13	F	53.7	Low	55	Low	142 Å²	142	116.4 Å²	116.4	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-69.8	-33.6	172.6	-96	-84.5	0	0	0	112.5	T9 C10 L15 S16 F17	T9-F13 PolarHBondContact O-N 3.39Å; C10-F13 PolarHBondContact O-N 3.24Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-S16 PolarHBondContact O-N 3.13Å; F13-S16 PolarHBondContact O-OG 3.46Å; F13-S16 VanDerWaalsContact O-OG 3.07Å; F13-F17 HydrophobicContact CD1-CE2 4.45Å; F13-F17 WeakPolarHBondContact O-CD2 3.33Å
14	I	56.2	Low	54.8	Low	101 Å²	101	114.3 Å²	114.3	52%	0.518	60%	0.603	S	S	.	*	H	α-helix	trans	-71.4	-30.8	177	-64.7	166.6	0	0	0	111.4	C10 S16 F18	C10-I14 WeakPolarHBondContact O-CG1 3.39Å; C10-I14 PolarHBondContact O-N 3.37Å; C10-I14 VanDerWaalsContact O-N 3.14Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 3.14Å; I14-F18 HydrophobicContact CG2-CE2 4.05Å; I14-F18 WeakPolarHBondContact O-CD2 3.13Å
15	L	55.2	Low	54.8	Low	128 Å²	128	116 Å²	116	67%	0.67	61%	0.608	S	S	*	*	H	α-helix	trans	-74	-18.4	178.1	-73.3	168.6	0	0	0	114.2	T11 L12 F13	T11-L15 WeakPolarHBondContact O-CG 3.4Å; T11-L15 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.84Å; F13-L15 VanDerWaalsContact C-N 3.34Å
16	S	54.7	Low	55.4	Low	67 Å²	67	114.5 Å²	114.5	47%	0.469	60%	0.601	S	S	.	*	H	α-helix	trans	-85.9	-13.8	176.7	64.3	0	0	0	0	114.2	F13 I14	F13-S16 PolarHBondContact O-N 3.13Å; F13-S16 PolarHBondContact O-OG 3.46Å; F13-S16 VanDerWaalsContact O-OG 3.07Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 3.14Å
17	F	54.9	Low	57	Low	163 Å²	163	111.8 Å²	111.8	72%	0.715	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-4.7	177.3	-72.3	-71.3	0	0	0	114.7	F13 N19	F13-F17 HydrophobicContact CD1-CE2 4.45Å; F13-F17 WeakPolarHBondContact O-CD2 3.33Å; F17-N19 VanDerWaalsContact C-N 3.31Å
18	F	55.5	Low	58.7	Low	149 Å²	149	109.4 Å²	109.4	65%	0.654	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	36.2	165.9	-60.2	-77.1	0	0	0	111.9	I14 E20	I14-F18 HydrophobicContact CG2-CE2 4.05Å; I14-F18 WeakPolarHBondContact O-CD2 3.13Å; F18-E20 PolarHBondContact O-N 3.07Å
19	N	49.4	Very low	60.6	Low	136 Å²	136	107.9 Å²	107.9	73%	0.727	57%	0.573	S	S	*	*			trans	-69.3	79.5	140.7	-92.8	-38.3	0	0	0	105.9	F17 N21	F17-N19 VanDerWaalsContact C-N 3.31Å; N19-N21 PolarHBondContact O-N 3.48Å
20	E	53.9	Low	62.5	Low	156 Å²	156	111.8 Å²	111.8	73%	0.729	58%	0.584	S	S	*	*			trans	-50.4	104.1	156.3	-75.4	-172.5	167.3	0	0	105.2	F18 V22	F18-E20 PolarHBondContact O-N 3.07Å; E20-V22 PolarHBondContact O-N 3.49Å
21	N	48.2	Very low	64.5	Low	107 Å²	107	111 Å²	111	57%	0.572	57%	0.574	S	S	*	*			trans	-54.7	97.5	158.6	-71.3	-65.8	0	0	0	105.5	N19 Y23	N19-N21 PolarHBondContact O-N 3.48Å; N21-Y23 HydrophobicContact CB-CD1 4.49Å; N21-Y23 HydrophobicContact CB-CD2 3.3Å; N21-Y23 HydrophobicContact CB-CE1 4.29Å; N21-Y23 HydrophobicContact CB-CE2 3.06Å; N21-Y23 HydrophobicContact CB-CG 4.04Å; N21-Y23 VanDerWaalsContact CG-CE2 3.49Å; N21-Y23 PolarHBondContact O-N 2.03Å
22	V	55.8	Low	66.5	Low	105 Å²	105	108.5 Å²	108.5	64%	0.636	56%	0.559	S	S	*	*			trans	-65.7	73.5	158.1	-177.8	0	0	0	0	104.7	E20 C24	E20-V22 PolarHBondContact O-N 3.49Å; V22-C24 VanDerWaalsContact C-N 3.25Å; V22-C24 PolarHBondContact O-N 3.32Å
23	Y	52.4	Low	68.5	Low	166 Å²	166	109.5 Å²	109.5	65%	0.651	56%	0.555	S	S	*	*			trans	-64.9	100.3	161.1	-70.3	-66.1	0	0	0	103.9	N21 N25	N21-Y23 HydrophobicContact CB-CD1 4.49Å; N21-Y23 HydrophobicContact CB-CD2 3.3Å; N21-Y23 HydrophobicContact CB-CE1 4.29Å; N21-Y23 HydrophobicContact CB-CE2 3.06Å; N21-Y23 HydrophobicContact CB-CG 4.04Å; N21-Y23 VanDerWaalsContact CG-CE2 3.49Å; N21-Y23 PolarHBondContact O-N 2.03Å; Y23-N25 PolarHBondContact O-N 3.16Å
24	C	54.6	Low	70.7	Confident	64 Å²	64	105.8 Å²	105.8	43%	0.432	54%	0.539	S	S	.	.			trans	-59.6	78.5	161.6	-61.1	0	0	0	0	105.3	V22 N26 C232	V22-C24 VanDerWaalsContact C-N 3.25Å; V22-C24 PolarHBondContact O-N 3.32Å; C24-N26 PolarHBondContact O-N 3.09Å; C24-C232 HydrophobicContact CB-CB 4.32Å; C24-C232 WeakPolarHBondContact CB-SG 3.06Å; C24-C232 WeakPolarHBondContact SG-CB 3.24Å; C24-C232 CovalentContact SG-SG 2.12Å; C24-C232 PolarHBondContact SG-SG 2.89Å
25	N	54.5	Low	72.7	Confident	140 Å²	140	101 Å²	101	75%	0.749	52%	0.515	S	S	*	.			trans	-71.7	78.5	162.9	-80.7	-23.6	0	0	0	105	Y23 A27	Y23-N25 PolarHBondContact O-N 3.16Å; N25-A27 PolarHBondContact O-N 3.04Å
26	N	70.3	Confident	74.8	Confident	91 Å²	91	95.2 Å²	95.2	49%	0.487	48%	0.484	S	S	.	.			trans	-62.9	14.2	172.1	-76.5	-11	0	0	0	112.3	C24 L28	C24-N26 PolarHBondContact O-N 3.09Å; N26-L28 PolarHBondContact O-N 2.95Å
27	A	87.2	Confident	76.8	Confident	85 Å²	85	96.4 Å²	96.4	70%	0.702	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-70.2	117.8	175.5	0	0	0	0	0	108.6	N25 D29	N25-A27 PolarHBondContact O-N 3.04Å; A27-D29 PolarHBondContact O-N 3.26Å
28	L	94.4	Very high	78.9	Confident	35 Å²	35	89.7 Å²	89.7	18%	0.183	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-59.1	138.2	169.5	-60.6	-178.2	0	0	0	109.7	N26 R33 L36 W65	N26-L28 PolarHBondContact O-N 2.95Å; L28-R33 HydrophobicContact CB-CB 4.13Å; L28-L36 HydrophobicContact CD1-CD2 3.67Å; L28-W65 HydrophobicContact CD1-CB 4Å; L28-W65 HydrophobicContact CD1-CD2 4.09Å; L28-W65 HydrophobicContact CD1-CE3 4.28Å; L28-W65 HydrophobicContact CD1-CG 3.98Å; L28-W65 HydrophobicContact CD2-CB 4.06Å; L28-W65 HydrophobicContact CD2-CD2 3.91Å; L28-W65 HydrophobicContact CD2-CG 3.5Å; L28-W65 HydrophobicContact CG-CG 4.4Å
29	D	95.8	Very high	81	Confident	86 Å²	86	82.7 Å²	82.7	46%	0.46	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-59.7	166	167.9	71	83.8	0	0	0	110.5	A27 N31 S32 R33	A27-D29 PolarHBondContact O-N 3.26Å; D29-N31 VanDerWaalsContact C-N 3.29Å; D29-N31 PolarHBondContact O-N 2.84Å; D29-N31 WeakPolarHBondContact OD1-CA 3.46Å; D29-N31 WeakPolarHBondContact OD1-CB 2.99Å; D29-N31 PolarHBondContact OD1-N 3.22Å; D29-S32 PolarHBondContact O-N 3.37Å; D29-S32 PolarHBondContact OD1-N 3.26Å; D29-S32 WeakPolarHBondContact OD2-CB 3.48Å; D29-S32 PolarHBondContact OD2-OG 2.86Å; D29-R33 WeakPolarHBondContact O-CB 3.32Å; D29-R33 PolarHBondContact O-N 3.34Å
30	K	97.4	Very high	83.3	Confident	158 Å²	158	80.4 Å²	80.4	69%	0.687	41%	0.405	S	S	*	.	H	α-helix	trans	-55.5	-43.4	-175.5	-176	-177.3	173.9	-174.1	0	112.5	E34	K30-E34 WeakPolarHBondContact O-CB 3.41Å; K30-E34 PolarHBondContact O-N 2.99Å
31	N	98.2	Very high	85.5	Confident	65 Å²	65	78 Å²	78	35%	0.348	39%	0.391	S	S	.	.	H	α-helix	trans	-72.4	-44.6	-175.8	-66.9	-12.4	0	0	0	110.8	D29 R33 E34 L35 I105 V147	D29-N31 VanDerWaalsContact C-N 3.29Å; D29-N31 PolarHBondContact O-N 2.84Å; D29-N31 WeakPolarHBondContact OD1-CA 3.46Å; D29-N31 WeakPolarHBondContact OD1-CB 2.99Å; D29-N31 PolarHBondContact OD1-N 3.22Å; N31-R33 VanDerWaalsContact C-N 3.3Å; N31-R33 PolarHBondContact O-N 3.22Å; N31-E34 PolarHBondContact O-N 3.17Å; N31-L35 WeakPolarHBondContact O-CD1 3.36Å; N31-L35 WeakPolarHBondContact O-CG 3.4Å; N31-L35 PolarHBondContact O-N 3.37Å; N31-I105 HydrophobicContact CB-CD1 3.54Å; N31-V147 HydrophobicContact CB-CG2 4.35Å
32	S	98.4	Very high	87.9	Confident	15 Å²	15	74 Å²	74	11%	0.105	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-42.6	176	-67.3	0	0	0	0	111.9	D29 L36 W65	D29-S32 PolarHBondContact O-N 3.37Å; D29-S32 PolarHBondContact OD1-N 3.26Å; D29-S32 WeakPolarHBondContact OD2-CB 3.48Å; D29-S32 PolarHBondContact OD2-OG 2.86Å; S32-L36 WeakPolarHBondContact O-CB 3.34Å; S32-L36 PolarHBondContact O-N 3.22Å; S32-W65 VanDerWaalsContact CB-CH2 3.48Å; S32-W65 VanDerWaalsContact CB-CZ2 3.47Å; S32-W65 WeakPolarHBondContact O-CZ3 3.09Å; S32-W65 VanDerWaalsContact OG-CZ2 3.28Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.19Å
33	R	98.2	Very high	89.9	Confident	140 Å²	140	69.4 Å²	69.4	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-45.5	175.2	176.1	168.4	28.7	171.7	-9.1	112.4	L28 D29 N31 L35 L36 E37	L28-R33 HydrophobicContact CB-CB 4.13Å; D29-R33 WeakPolarHBondContact O-CB 3.32Å; D29-R33 PolarHBondContact O-N 3.34Å; N31-R33 VanDerWaalsContact C-N 3.3Å; N31-R33 PolarHBondContact O-N 3.22Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 2.96Å; R33-L36 PolarHBondContact O-N 3.09Å; R33-E37 HydrophobicContact CG-CG 4.32Å; R33-E37 WeakPolarHBondContact O-CB 3.45Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 3.43Å
34	E	98.6	Very high	92.1	Very high	65 Å²	65	65.8 Å²	65.8	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-45.1	177.4	-174.7	179.8	165.6	0	0	111.5	K30 N31 E37 L38 I105 K106	K30-E34 WeakPolarHBondContact O-CB 3.41Å; K30-E34 PolarHBondContact O-N 2.99Å; N31-E34 PolarHBondContact O-N 3.17Å; E34-E37 PolarHBondContact O-N 3.31Å; E34-L38 HydrophobicContact CG-CD1 3.9Å; E34-L38 HydrophobicContact CG-CG 4.42Å; E34-L38 WeakPolarHBondContact O-CB 3.45Å; E34-L38 VanDerWaalsContact O-CG 3.28Å; E34-L38 WeakPolarHBondContact O-CG 3.14Å; E34-L38 PolarHBondContact O-N 2.79Å; E34-I105 HydrophobicContact CB-CG2 4.35Å; E34-I105 HydrophobicContact CG-CG2 3.81Å; E34-K106 PolarHBondContact OE1-N 3.39Å
35	L	98.9	Very high	94.2	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-47.3	177.4	-75.4	159.1	0	0	0	112.1	N31 R33 H39 I105 V109 C145 V147 I157	N31-L35 WeakPolarHBondContact O-CD1 3.36Å; N31-L35 WeakPolarHBondContact O-CG 3.4Å; N31-L35 PolarHBondContact O-N 3.37Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 2.96Å; L35-H39 PolarHBondContact O-N 2.88Å; L35-H39 VanDerWaalsContact O-N 3.16Å; L35-H39 PolarHBondContact O-ND1 3.48Å; L35-I105 HydrophobicContact CD1-CD1 4.47Å; L35-I105 HydrophobicContact CD2-CG2 3.62Å; L35-I105 HydrophobicContact CG-CD1 4.47Å; L35-I105 HydrophobicContact CG-CG2 3.73Å; L35-V109 HydrophobicContact CD2-CG2 3.7Å; L35-C145 HydrophobicContact CB-CB 4.28Å; L35-C145 HydrophobicContact CD1-CB 3.57Å; L35-C145 HydrophobicContact CG-CB 4.37Å; L35-V147 HydrophobicContact CD1-CG2 3.47Å; L35-V147 VanDerWaalsContact CD1-CG2 3.47Å; L35-I157 HydrophobicContact CD2-CG2 3.73Å
36	L	98.7	Very high	96.3	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-47.3	178.3	179.7	60.2	0	0	0	111.5	L28 S32 R33 H39 R40 L63 W65 I143	L28-L36 HydrophobicContact CD1-CD2 3.67Å; S32-L36 WeakPolarHBondContact O-CB 3.34Å; S32-L36 PolarHBondContact O-N 3.22Å; R33-L36 PolarHBondContact O-N 3.09Å; L36-H39 PolarHBondContact O-N 2.66Å; L36-R40 HydrophobicContact CD1-CG 4.39Å; L36-R40 WeakPolarHBondContact O-CG 3.18Å; L36-R40 PolarHBondContact O-N 2.88Å; L36-L63 HydrophobicContact CD1-CB 4Å; L36-W65 HydrophobicContact CB-CE3 4.09Å; L36-W65 HydrophobicContact CB-CZ3 4.33Å; L36-W65 HydrophobicContact CD2-CB 4.27Å; L36-I143 HydrophobicContact CD1-CG2 3.49Å; L36-I143 VanDerWaalsContact CD1-CG2 3.49Å
37	E	98.5	Very high	97.6	Very high	91 Å²	91	53.6 Å²	53.6	43%	0.425	26%	0.26	S	S	.	.	H	α-helix	trans	-69.5	-37.8	-176.9	-68.5	-51.3	132	0	0	112.6	R33 E34 H39 R40 K41	R33-E37 HydrophobicContact CG-CG 4.32Å; R33-E37 WeakPolarHBondContact O-CB 3.45Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 3.43Å; E34-E37 PolarHBondContact O-N 3.31Å; E37-H39 PolarHBondContact O-N 2.94Å; E37-R40 PolarHBondContact O-N 2.88Å; E37-R40 IonicContact OE1-CZ 2.7Å; E37-R40 IonicContact OE1-NH1 3.58Å; E37-R40 PolarHBondContact OE1-NH1 2.76Å; E37-K41 VanDerWaalsContact O-CB 3.26Å; E37-K41 WeakPolarHBondContact O-CB 3.33Å; E37-K41 PolarHBondContact O-N 3.07Å
38	L	98.8	Very high	98	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.12	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-43.8	172.9	-74.1	168.6	0	0	0	111.5	E34 K41 Y42 I105 K106 V109	E34-L38 HydrophobicContact CG-CD1 3.9Å; E34-L38 HydrophobicContact CG-CG 4.42Å; E34-L38 WeakPolarHBondContact O-CB 3.45Å; E34-L38 VanDerWaalsContact O-CG 3.28Å; E34-L38 WeakPolarHBondContact O-CG 3.14Å; E34-L38 PolarHBondContact O-N 2.79Å; L38-K41 PolarHBondContact O-N 3.37Å; L38-Y42 HydrophobicContact CB-CE2 4.49Å; L38-Y42 HydrophobicContact CD2-CE2 4.41Å; L38-Y42 WeakPolarHBondContact O-CB 3.39Å; L38-Y42 WeakPolarHBondContact O-CD2 3.49Å; L38-Y42 PolarHBondContact O-N 3.44Å; L38-I105 HydrophobicContact CD1-CG2 3.88Å; L38-K106 HydrophobicContact CD1-CB 4.37Å; L38-K106 HydrophobicContact CD2-CG 4.44Å; L38-V109 HydrophobicContact CB-CB 4.5Å; L38-V109 HydrophobicContact CB-CG1 3.95Å; L38-V109 HydrophobicContact CD1-CB 4.12Å; L38-V109 HydrophobicContact CD1-CG1 4.47Å; L38-V109 HydrophobicContact CD1-CG2 4.11Å
39	H	98.8	Very high	98.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-44.2	177.1	-76.8	78.6	0	0	0	112.3	L35 L36 E37 Y42 R43 L63 I143 Y161	L35-H39 PolarHBondContact O-N 2.88Å; L35-H39 VanDerWaalsContact O-N 3.16Å; L35-H39 PolarHBondContact O-ND1 3.48Å; L36-H39 PolarHBondContact O-N 2.66Å; E37-H39 PolarHBondContact O-N 2.94Å; H39-Y42 PolarHBondContact O-N 3.19Å; H39-R43 WeakPolarHBondContact O-CB 3.45Å; H39-R43 WeakPolarHBondContact O-CD 3.29Å; H39-R43 VanDerWaalsContact O-CG 3.23Å; H39-R43 WeakPolarHBondContact O-CG 3.43Å; H39-R43 PolarHBondContact O-N 3Å; H39-L63 HydrophobicContact CB-CD1 3.65Å; H39-I143 HydrophobicContact CB-CD1 4.21Å; H39-Y161 AromaticContact CD2-CE1 3.69Å; H39-Y161 AromaticContact NE2-CE1 3.61Å; H39-Y161 AromaticContact NE2-CZ 3.6Å; H39-Y161 PolarHBondContact NE2-OH 2.94Å
40	R	98.7	Very high	98.2	Very high	89 Å²	89	52.7 Å²	52.7	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-59.6	-48.4	175.9	-76.1	173.1	171.4	174.2	-8.1	111.1	L36 E37 Y42 R43 Q44 L63	L36-R40 HydrophobicContact CD1-CG 4.39Å; L36-R40 WeakPolarHBondContact O-CG 3.18Å; L36-R40 PolarHBondContact O-N 2.88Å; E37-R40 PolarHBondContact O-N 2.88Å; E37-R40 IonicContact OE1-CZ 2.7Å; E37-R40 IonicContact OE1-NH1 3.58Å; E37-R40 PolarHBondContact OE1-NH1 2.76Å; R40-Y42 PolarHBondContact O-N 2.84Å; R40-R43 PolarHBondContact O-N 3.47Å; R40-Q44 WeakPolarHBondContact O-CB 3.4Å; R40-Q44 PolarHBondContact O-N 2.95Å; R40-L63 HydrophobicContact CG-CB 4.35Å; R40-L63 PolarHBondContact NE-O 3.09Å; R40-L63 PolarHBondContact NH2-O 2.75Å
41	K	98.5	Very high	98.3	Very high	104 Å²	104	45.6 Å²	45.6	45%	0.452	21%	0.209	S	C	.	.	H	α-helix	trans	-55.5	-51.8	176.9	-178.6	-167	172.2	-64.8	0	111.3	E37 L38 R43 Q44 D45	E37-K41 VanDerWaalsContact O-CB 3.26Å; E37-K41 WeakPolarHBondContact O-CB 3.33Å; E37-K41 PolarHBondContact O-N 3.07Å; L38-K41 PolarHBondContact O-N 3.37Å; K41-R43 VanDerWaalsContact C-N 3.35Å; K41-R43 PolarHBondContact O-N 3.3Å; K41-Q44 CarbonylContact O-C 3.6Å; K41-Q44 WeakPolarHBondContact O-CA 3.49Å; K41-Q44 WeakPolarHBondContact O-CB 3.48Å; K41-Q44 PolarHBondContact O-N 3.47Å; K41-Q44 VanDerWaalsContact O-N 3.11Å; K41-D45 IonicContact NZ-OD1 3.48Å; K41-D45 IonicContact NZ-OD2 3.73Å; K41-D45 PolarHBondContact NZ-OD2 3Å; K41-D45 PolarHBondContact O-N 3.18Å
42	Y	98.8	Very high	98.2	Very high	25 Å²	25	48.9 Å²	48.9	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-36.3	-177.1	-78.2	-44.9	0	0	0	113.9	L38 H39 R40 Q44 D45 L46 V109 D110 F113 M135	L38-Y42 HydrophobicContact CB-CE2 4.49Å; L38-Y42 HydrophobicContact CD2-CE2 4.41Å; L38-Y42 WeakPolarHBondContact O-CB 3.39Å; L38-Y42 WeakPolarHBondContact O-CD2 3.49Å; L38-Y42 PolarHBondContact O-N 3.44Å; H39-Y42 PolarHBondContact O-N 3.19Å; R40-Y42 PolarHBondContact O-N 2.84Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-D45 PolarHBondContact O-N 3.33Å; Y42-L46 PolarHBondContact O-N 2.82Å; Y42-V109 HydrophobicContact CD2-CG1 4.01Å; Y42-V109 HydrophobicContact CE2-CG1 3.89Å; Y42-D110 PolarHBondContact OH-OD1 2.63Å; Y42-F113 HydrophobicContact CD1-CB 4.46Å; Y42-F113 AromaticContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD2 4.2Å; Y42-F113 AromaticContact CD1-CE1 3.36Å; Y42-F113 HydrophobicContact CD1-CE1 3.36Å; Y42-F113 HydrophobicContact CD1-CE2 4.27Å; Y42-F113 AromaticContact CD1-CG 3.72Å; Y42-F113 HydrophobicContact CD1-CG 3.72Å; Y42-F113 AromaticContact CD1-CZ 3.84Å; Y42-F113 HydrophobicContact CD1-CZ 3.84Å; Y42-F113 HydrophobicContact CD2-CB 4.07Å; Y42-F113 HydrophobicContact CD2-CD1 4.39Å; Y42-F113 HydrophobicContact CD2-CD2 4.33Å; Y42-F113 HydrophobicContact CD2-CG 4Å; Y42-F113 AromaticContact CE1-CD1 3.58Å; Y42-F113 HydrophobicContact CE1-CD1 3.58Å; Y42-F113 AromaticContact CE1-CE1 3.96Å; Y42-F113 HydrophobicContact CE1-CE1 3.96Å; Y42-F113 HydrophobicContact CE1-CG 4.16Å; Y42-F113 HydrophobicContact CE2-CB 4.2Å; Y42-F113 HydrophobicContact CE2-CG 4.43Å; Y42-F113 HydrophobicContact CG-CB 4.23Å; Y42-F113 AromaticContact CG-CD1 3.76Å; Y42-F113 HydrophobicContact CG-CD1 3.76Å; Y42-F113 AromaticContact CG-CD2 3.82Å; Y42-F113 HydrophobicContact CG-CD2 3.82Å; Y42-F113 AromaticContact CG-CE1 3.97Å; Y42-F113 HydrophobicContact CG-CE1 3.97Å; Y42-F113 HydrophobicContact CG-CE2 4.06Å; Y42-F113 AromaticContact CG-CG 3.65Å; Y42-F113 HydrophobicContact CG-CG 3.65Å; Y42-F113 HydrophobicContact CG-CZ 4.09Å; Y42-M135 HydrophobicContact CD2-CE 3.9Å
43	R	98.7	Very high	98.1	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-40.1	171.6	-70.7	168.4	68.6	87.3	-6.3	111.3	H39 R40 K41 L46 V47 M60 S61 M135 W137 A138 T140	H39-R43 WeakPolarHBondContact O-CB 3.45Å; H39-R43 WeakPolarHBondContact O-CD 3.29Å; H39-R43 VanDerWaalsContact O-CG 3.23Å; H39-R43 WeakPolarHBondContact O-CG 3.43Å; H39-R43 PolarHBondContact O-N 3Å; R40-R43 PolarHBondContact O-N 3.47Å; K41-R43 VanDerWaalsContact C-N 3.35Å; K41-R43 PolarHBondContact O-N 3.3Å; R43-L46 WeakPolarHBondContact O-CB 3.36Å; R43-L46 PolarHBondContact O-N 3.07Å; R43-V47 PolarHBondContact O-N 2.85Å; R43-M60 HydrophobicContact CB-CB 4.05Å; R43-M60 HydrophobicContact CB-CG 4.06Å; R43-M60 HydrophobicContact CB-SD 4.37Å; R43-M60 HydrophobicContact CG-SD 4.36Å; R43-M60 WeakPolarHBondContact O-CG 3.05Å; R43-S61 PolarHBondContact NE-O 3.06Å; R43-S61 PolarHBondContact NH2-O 2.69Å; R43-S61 VanDerWaalsContact NH2-O 3.09Å; R43-M135 WeakPolarHBondContact CG-O 3.36Å; R43-M135 PolarHBondContact NH1-O 2.94Å; R43-W137 PolarHBondContact NH1-O 3.38Å; R43-W137 PolarHBondContact NH2-O 2.96Å; R43-A138 PolarHBondContact NH2-O 3.47Å; R43-T140 PolarHBondContact NH2-O 3.45Å; R43-T140 VanDerWaalsContact NH2-O 3.1Å
44	Q	98	Very high	98.2	Very high	91 Å²	91	45.6 Å²	45.6	43%	0.425	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-39	174.7	-169.7	60.9	47.3	0	0	111.8	R40 K41 Y42 L46 V47 D48	R40-Q44 WeakPolarHBondContact O-CB 3.4Å; R40-Q44 PolarHBondContact O-N 2.95Å; K41-Q44 CarbonylContact O-C 3.6Å; K41-Q44 WeakPolarHBondContact O-CA 3.49Å; K41-Q44 WeakPolarHBondContact O-CB 3.48Å; K41-Q44 PolarHBondContact O-N 3.47Å; K41-Q44 VanDerWaalsContact O-N 3.11Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-L46 PolarHBondContact O-N 2.82Å; Q44-V47 CarbonylContact O-C 3.54Å; Q44-V47 WeakPolarHBondContact O-CA 3.29Å; Q44-V47 WeakPolarHBondContact O-CB 3.38Å; Q44-V47 PolarHBondContact O-N 2.95Å; Q44-D48 PolarHBondContact NE2-OD1 2.8Å; Q44-D48 WeakPolarHBondContact O-CB 3.36Å; Q44-D48 PolarHBondContact O-N 3.35Å
45	D	98.2	Very high	98.1	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-35	176.7	-71.6	-25	0	0	0	112.1	K41 Y42 D48 C49 K50 V51	K41-D45 IonicContact NZ-OD1 3.48Å; K41-D45 IonicContact NZ-OD2 3.73Å; K41-D45 PolarHBondContact NZ-OD2 3Å; K41-D45 PolarHBondContact O-N 3.18Å; Y42-D45 PolarHBondContact O-N 3.33Å; D45-D48 PolarHBondContact O-N 3.26Å; D45-C49 PolarHBondContact O-N 2.96Å; D45-K50 HydrophobicContact CB-CB 3.93Å; D45-K50 PolarHBondContact O-N 3.12Å; D45-K50 VanDerWaalsContact OD1-CD 3.28Å; D45-K50 WeakPolarHBondContact OD1-CD 3.37Å; D45-V51 HydrophobicContact CB-CG2 3.95Å
46	L	98.4	Very high	98.1	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-38.2	171.7	-74.4	166.3	0	0	0	112.2	Y42 R43 Q44 V51 Q54 P56 A57 M60 F113 Y132 A136 Y173	Y42-L46 PolarHBondContact O-N 2.82Å; R43-L46 WeakPolarHBondContact O-CB 3.36Å; R43-L46 PolarHBondContact O-N 3.07Å; Q44-L46 PolarHBondContact O-N 2.82Å; L46-V51 HydrophobicContact CD2-CB 3.85Å; L46-V51 HydrophobicContact CD2-CG1 4.05Å; L46-V51 HydrophobicContact CD2-CG2 3.72Å; L46-V51 HydrophobicContact CG-CG2 3.91Å; L46-Q54 HydrophobicContact CD2-CB 4.26Å; L46-P56 CarbonylContact O-C 3.52Å; L46-P56 WeakPolarHBondContact O-CA 3.47Å; L46-A57 HydrophobicContact CB-CB 4.08Å; L46-A57 PolarHBondContact O-N 3.13Å; L46-M60 HydrophobicContact CB-CE 4.12Å; L46-M60 HydrophobicContact CD1-CE 3.61Å; L46-M60 HydrophobicContact CG-CE 4.5Å; L46-F113 HydrophobicContact CD1-CE2 4.26Å; L46-F113 HydrophobicContact CG-CE2 4.5Å; L46-F113 HydrophobicContact CG-CZ 4.29Å; L46-Y132 HydrophobicContact CD1-CE2 4.36Å; L46-Y132 HydrophobicContact CD2-CE2 4.47Å; L46-Y132 WeakPolarHBondContact CD2-OH 3.28Å; L46-A136 HydrophobicContact CD1-CB 3.62Å; L46-Y173 HydrophobicContact CD1-CE1 4.17Å; L46-Y173 HydrophobicContact CD2-CE1 4.24Å
47	V	97.8	Very high	98.1	Very high	15 Å²	15	43.8 Å²	43.8	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-71.2	-36.6	176	177.9	0	0	0	0	110.9	R43 Q44 C49 A57 M60 K176	R43-V47 PolarHBondContact O-N 2.85Å; Q44-V47 CarbonylContact O-C 3.54Å; Q44-V47 WeakPolarHBondContact O-CA 3.29Å; Q44-V47 WeakPolarHBondContact O-CB 3.38Å; Q44-V47 PolarHBondContact O-N 2.95Å; V47-C49 VanDerWaalsContact C-N 3.25Å; V47-C49 PolarHBondContact O-N 3.43Å; V47-A57 HydrophobicContact CG2-CB 4.04Å; V47-M60 HydrophobicContact CG2-CB 3.92Å; V47-M60 HydrophobicContact CG2-CG 3.7Å; V47-K176 WeakPolarHBondContact O-CE 3.49Å; V47-K176 PolarHBondContact O-NZ 3.19Å
48	D	96.4	Very high	98.1	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.219	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	9.3	-174.5	-72.4	-0	0	0	0	114	Q44 D45 K50	Q44-D48 PolarHBondContact NE2-OD1 2.8Å; Q44-D48 WeakPolarHBondContact O-CB 3.36Å; Q44-D48 PolarHBondContact O-N 3.35Å; D45-D48 PolarHBondContact O-N 3.26Å; D48-K50 HydrophobicContact CB-CD 3.75Å; D48-K50 HydrophobicContact CB-CG 3.94Å; D48-K50 PolarHBondContact O-N 3.25Å; D48-K50 IonicContact OD2-NZ 3.7Å; D48-K50 PolarHBondContact OD2-NZ 2.97Å
49	C	96.7	Very high	98	Very high	26 Å²	26	50.8 Å²	50.8	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	26	-175	-71.4	0	0	0	0	114.8	D45 V47 P56 C181	D45-C49 PolarHBondContact O-N 2.96Å; V47-C49 VanDerWaalsContact C-N 3.25Å; V47-C49 PolarHBondContact O-N 3.43Å; C49-P56 HydrophobicContact CB-CB 4.4Å; C49-P56 WeakPolarHBondContact SG-CB 3.36Å; C49-P56 VanDerWaalsContact SG-CG 3.55Å; C49-C181 HydrophobicContact CB-CB 3.61Å; C49-C181 WeakPolarHBondContact CB-SG 3.42Å; C49-C181 WeakPolarHBondContact SG-CB 3.37Å; C49-C181 CovalentContact SG-SG 2.01Å; C49-C181 PolarHBondContact SG-SG 2.77Å
50	K	97.6	Very high	97.9	Very high	120 Å²	120	51.5 Å²	51.5	52%	0.522	26%	0.259	S	S	.	.			trans	-95.1	2.6	-175.1	-68.2	170	-179	157	0	114.5	D45 D48	D45-K50 HydrophobicContact CB-CB 3.93Å; D45-K50 PolarHBondContact O-N 3.12Å; D45-K50 VanDerWaalsContact OD1-CD 3.28Å; D45-K50 WeakPolarHBondContact OD1-CD 3.37Å; D48-K50 HydrophobicContact CB-CD 3.75Å; D48-K50 HydrophobicContact CB-CG 3.94Å; D48-K50 PolarHBondContact O-N 3.25Å; D48-K50 IonicContact OD2-NZ 3.7Å; D48-K50 PolarHBondContact OD2-NZ 2.97Å
51	V	98.3	Very high	97.6	Very high	9 Å²	9	48 Å²	48	6%	0.055	25%	0.249	C	C	.	.	S	Bend	trans	-107.1	107.6	-178.2	-175	0	0	0	0	109.6	D45 L46 Q54 F113 H116	D45-V51 HydrophobicContact CB-CG2 3.95Å; L46-V51 HydrophobicContact CD2-CB 3.85Å; L46-V51 HydrophobicContact CD2-CG1 4.05Å; L46-V51 HydrophobicContact CD2-CG2 3.72Å; L46-V51 HydrophobicContact CG-CG2 3.91Å; V51-Q54 HydrophobicContact CB-CB 4.39Å; V51-Q54 HydrophobicContact CG1-CB 4.02Å; V51-Q54 HydrophobicContact CG1-CG 3.94Å; V51-Q54 PolarHBondContact O-N 2.86Å; V51-F113 HydrophobicContact CG1-CE1 4.36Å; V51-F113 HydrophobicContact CG1-CZ 4.35Å; V51-F113 HydrophobicContact CG2-CE1 3.95Å; V51-F113 HydrophobicContact CG2-CZ 3.69Å; V51-H116 HydrophobicContact CG1-CB 4.19Å
52	D	97.1	Very high	97.3	Very high	135 Å²	135	47.5 Å²	47.5	72%	0.722	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	143.5	-179.6	-65.1	-32.1	0	0	0	112	Q54 H116	D52-Q54 PolarHBondContact O-N 3.43Å; D52-H116 PolarHBondContact O-CE1 3.07Å; D52-H116 VanDerWaalsContact O-CE1 3.25Å; D52-H116 PolarHBondContact O-ND1 3.34Å; D52-H116 VanDerWaalsContact O-ND1 3.14Å
53	G	97.2	Very high	97.3	Very high	77 Å²	77	46.4 Å²	46.4	79%	0.794	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-7.5	-178.7	0	0	0	0	0	115.2
54	Q	98.5	Very high	97.3	Very high	9 Å²	9	50.5 Å²	50.5	4%	0.042	27%	0.27	C	S	.	.	S	Bend	trans	-111.1	142.4	179.7	-63.4	-56.7	-37.7	0	0	112.2	L46 V51 D52 H116 Y119 R178	L46-Q54 HydrophobicContact CD2-CB 4.26Å; V51-Q54 HydrophobicContact CB-CB 4.39Å; V51-Q54 HydrophobicContact CG1-CB 4.02Å; V51-Q54 HydrophobicContact CG1-CG 3.94Å; V51-Q54 PolarHBondContact O-N 2.86Å; D52-Q54 PolarHBondContact O-N 3.43Å; Q54-H116 HydrophobicContact CG-CB 4.11Å; Q54-H116 PolarHBondContact NE2-O 3.37Å; Q54-Y119 PolarHBondContact NE2-O 3.25Å; Q54-R178 PolarHBondContact O-NH2 3.05Å
55	P	98.3	Very high	97.3	Very high	27 Å²	27	47.3 Å²	47.3	18%	0.175	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-72.4	146.3	171.4	31.6	-33.6	0	0	0	109.9	Y121 Y173 V175	P55-Y121 HydrophobicContact CG-CD1 3.54Å; P55-Y121 HydrophobicContact CG-CD2 3.81Å; P55-Y121 HydrophobicContact CG-CE1 4.08Å; P55-Y121 HydrophobicContact CG-CE2 4.34Å; P55-Y121 HydrophobicContact CG-CG 3.43Å; P55-Y121 VanDerWaalsContact CG-CG 3.43Å; P55-Y173 VanDerWaalsContact O-CE2 3.31Å; P55-Y173 WeakPolarHBondContact O-CE2 3.42Å; P55-Y173 PolarHBondContact O-OH 2.87Å; P55-V175 HydrophobicContact CB-CB 4.38Å; P55-V175 HydrophobicContact CB-CG1 3.76Å; P55-V175 HydrophobicContact CB-CG2 3.6Å; P55-V175 HydrophobicContact CG-CG2 3.49Å; P55-V175 VanDerWaalsContact CG-CG2 3.49Å
56	P	98.1	Very high	97.3	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.039	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-71.4	138.8	-174.5	30	-35.5	0	0	0	111.7	L46 C49 V175 K176	L46-P56 CarbonylContact O-C 3.52Å; L46-P56 WeakPolarHBondContact O-CA 3.47Å; C49-P56 HydrophobicContact CB-CB 4.4Å; C49-P56 WeakPolarHBondContact SG-CB 3.36Å; C49-P56 VanDerWaalsContact SG-CG 3.55Å; P56-V175 WeakPolarHBondContact O-CA 3.25Å; P56-K176 HydrophobicContact CB-CG 4.11Å; P56-K176 HydrophobicContact CG-CG 3.93Å; P56-K176 WeakPolarHBondContact CG-O 3.27Å; P56-K176 PolarHBondContact O-N 3.01Å
57	A	98.4	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-68.7	135.8	175.6	0	0	0	0	0	110.3	L46 V47 Y59 M60 Y173 E174 K176	L46-A57 HydrophobicContact CB-CB 4.08Å; L46-A57 PolarHBondContact O-N 3.13Å; V47-A57 HydrophobicContact CG2-CB 4.04Å; A57-Y59 VanDerWaalsContact C-N 3.33Å; A57-M60 HydrophobicContact CB-CE 3.55Å; A57-M60 HydrophobicContact CB-CG 4.1Å; A57-Y173 HydrophobicContact CB-CD2 3.65Å; A57-Y173 HydrophobicContact CB-CE2 4.05Å; A57-Y173 HydrophobicContact CB-CG 3.98Å; A57-E174 CarbonylContact C-O 3.5Å; A57-E174 WeakPolarHBondContact CA-O 3.28Å; A57-K176 WeakPolarHBondContact O-CE 3.07Å
58	K	97.9	Very high	97.2	Very high	122 Å²	122	54 Å²	54	53%	0.53	29%	0.286	S	S	.	.	S	Bend	trans	-66.2	-40	171.2	178.6	177.8	166.2	-165	0	111.1	E174 K176	K58-E174 HydrophobicContact CB-CB 4.19Å; K58-E174 WeakPolarHBondContact CB-O 3.43Å; K58-E174 HydrophobicContact CD-CB 4.26Å; K58-E174 WeakPolarHBondContact CD-OE2 3.38Å; K58-E174 PolarHBondContact N-O 3.29Å; K58-E174 IonicContact NZ-OE2 2.82Å; K58-E174 PolarHBondContact NZ-OE2 3.37Å; K58-K176 HydrophobicContact CB-CB 4.11Å
59	Y	97	Very high	97.3	Very high	139 Å²	139	52.1 Å²	52.1	55%	0.545	28%	0.276	S	S	.	.			trans	-155.8	146.3	-178.8	175.9	-101.4	0	0	0	110.6	A57	A57-Y59 VanDerWaalsContact C-N 3.33Å
60	M	97.8	Very high	97.4	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.079	27%	0.272	C	S	.	.			trans	-133.1	128.3	168	-74.5	-72	177	0	0	108.4	R43 L46 V47 A57 A136 A138 Y173	R43-M60 HydrophobicContact CB-CB 4.05Å; R43-M60 HydrophobicContact CB-CG 4.06Å; R43-M60 HydrophobicContact CB-SD 4.37Å; R43-M60 HydrophobicContact CG-SD 4.36Å; R43-M60 WeakPolarHBondContact O-CG 3.05Å; L46-M60 HydrophobicContact CB-CE 4.12Å; L46-M60 HydrophobicContact CD1-CE 3.61Å; L46-M60 HydrophobicContact CG-CE 4.5Å; V47-M60 HydrophobicContact CG2-CB 3.92Å; V47-M60 HydrophobicContact CG2-CG 3.7Å; A57-M60 HydrophobicContact CB-CE 3.55Å; A57-M60 HydrophobicContact CB-CG 4.1Å; M60-A136 VanDerWaalsContact CE-O 3.25Å; M60-A136 WeakPolarHBondContact CE-O 3.5Å; M60-A138 HydrophobicContact SD-CB 4Å; M60-Y173 HydrophobicContact CE-CD1 3.5Å; M60-Y173 VanDerWaalsContact CE-CD1 3.5Å; M60-Y173 HydrophobicContact CE-CE1 4.25Å; M60-Y173 HydrophobicContact CE-CG 3.66Å
61	S	92.2	Very high	97.4	Very high	16 Å²	16	53.7 Å²	53.7	11%	0.112	28%	0.277	C	S	.	.			trans	-62.8	134.3	175.1	-175.8	0	0	0	0	110.5	R43 L63	R43-S61 PolarHBondContact NE-O 3.06Å; R43-S61 PolarHBondContact NH2-O 2.69Å; R43-S61 VanDerWaalsContact NH2-O 3.09Å; S61-L63 PolarHBondContact O-N 2.74Å; S61-L63 VanDerWaalsContact O-N 3.16Å
62	P	92.7	Very high	97.5	Very high	94 Å²	94	55.4 Å²	55.4	61%	0.61	28%	0.284	S	S	*	.			trans	-66.5	112.6	171.4	27.9	-32.7	0	0	0	108.5	K64	P62-K64 PolarHBondContact O-N 2.82Å
63	L	98.6	Very high	97.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.25	C	S	.	.			trans	-63.1	135.1	-177.3	-64.1	179.5	0	0	0	110.8	L36 H39 R40 S61 T140 T141 I143	L36-L63 HydrophobicContact CD1-CB 4Å; H39-L63 HydrophobicContact CB-CD1 3.65Å; R40-L63 HydrophobicContact CG-CB 4.35Å; R40-L63 PolarHBondContact NE-O 3.09Å; R40-L63 PolarHBondContact NH2-O 2.75Å; S61-L63 PolarHBondContact O-N 2.74Å; S61-L63 VanDerWaalsContact O-N 3.16Å; L63-T140 HydrophobicContact CD2-CG2 3.87Å; L63-T140 WeakPolarHBondContact CD2-O 3.38Å; L63-T141 CarbonylContact C-O 3.45Å; L63-T141 WeakPolarHBondContact CA-O 3.23Å; L63-I143 HydrophobicContact CB-CG2 4.04Å; L63-I143 HydrophobicContact CD1-CB 4.33Å; L63-I143 HydrophobicContact CD1-CD1 4.36Å; L63-I143 HydrophobicContact CD1-CG2 4.13Å
64	K	97.8	Very high	97.6	Very high	93 Å²	93	48.3 Å²	48.3	40%	0.404	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	152.6	167.4	67.1	-178.7	-177.7	174.2	0	111	P62 T141 D142 I143	P62-K64 PolarHBondContact O-N 2.82Å; K64-T141 WeakPolarHBondContact CG-O 3.47Å; K64-T141 PolarHBondContact N-O 2.84Å; K64-D142 WeakPolarHBondContact CE-OD1 3.34Å; K64-D142 WeakPolarHBondContact CE-OD2 3.44Å; K64-D142 IonicContact NZ-OD1 2.63Å; K64-D142 IonicContact NZ-OD2 2.78Å; K64-D142 WeakPolarHBondContact O-CA 3.26Å; K64-I143 PolarHBondContact O-N 2.93Å
65	W	98.3	Very high	97.6	Very high	24 Å²	24	50.9 Å²	50.9	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.3	176.8	-169	-99.8	0	0	0	110.7	L28 S32 L36 H67 A70 I143 C145	L28-W65 HydrophobicContact CD1-CB 4Å; L28-W65 HydrophobicContact CD1-CD2 4.09Å; L28-W65 HydrophobicContact CD1-CE3 4.28Å; L28-W65 HydrophobicContact CD1-CG 3.98Å; L28-W65 HydrophobicContact CD2-CB 4.06Å; L28-W65 HydrophobicContact CD2-CD2 3.91Å; L28-W65 HydrophobicContact CD2-CG 3.5Å; L28-W65 HydrophobicContact CG-CG 4.4Å; S32-W65 VanDerWaalsContact CB-CH2 3.48Å; S32-W65 VanDerWaalsContact CB-CZ2 3.47Å; S32-W65 WeakPolarHBondContact O-CZ3 3.09Å; S32-W65 VanDerWaalsContact OG-CZ2 3.28Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.19Å; L36-W65 HydrophobicContact CB-CE3 4.09Å; L36-W65 HydrophobicContact CB-CZ3 4.33Å; L36-W65 HydrophobicContact CD2-CB 4.27Å; W65-H67 AromaticContact CD1-CE1 3.79Å; W65-H67 AromaticContact CD1-ND1 3.91Å; W65-H67 AromaticContact CD1-NE2 3.88Å; W65-H67 AromaticContact NE1-ND1 3.88Å; W65-A70 HydrophobicContact CZ2-CB 3.54Å; W65-I143 CarbonylContact C-O 3.58Å; W65-I143 VanDerWaalsContact CA-O 3.32Å; W65-I143 WeakPolarHBondContact CA-O 3.34Å; W65-I143 HydrophobicContact CE3-CG2 4.33Å; W65-C145 HydrophobicContact CH2-CB 3.74Å; W65-C145 HydrophobicContact CZ3-CB 4.19Å
66	N	98	Very high	97.6	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.053	24%	0.238	C	C	.	.			trans	-118.9	109.2	177.8	-172.3	-54.7	0	0	0	110.1	D68 L69 A70 D142 I143	N66-D68 VanDerWaalsContact C-N 3.3Å; N66-D68 PolarHBondContact O-N 3.3Å; N66-D68 PolarHBondContact OD1-N 2.12Å; N66-D68 VanDerWaalsContact OD1-N 3.13Å; N66-L69 HydrophobicContact CB-CB 4.1Å; N66-L69 HydrophobicContact CB-CD1 3.97Å; N66-L69 HydrophobicContact CB-CG 4Å; N66-L69 PolarHBondContact O-N 2.82Å; N66-L69 PolarHBondContact OD1-N 3.2Å; N66-L69 VanDerWaalsContact OD1-N 3.12Å; N66-A70 WeakPolarHBondContact O-CB 3.48Å; N66-A70 PolarHBondContact O-N 2.93Å; N66-D142 HydrophobicContact CB-CB 4.01Å; N66-D142 PolarHBondContact ND2-OD1 3.42Å; N66-I143 PolarHBondContact N-O 3.26Å
67	H	96.7	Very high	97.6	Very high	104 Å²	104	49.4 Å²	49.4	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-31.6	-175.8	-69.9	-82.4	0	0	0	113.5	W65 A70 R71	W65-H67 AromaticContact CD1-CE1 3.79Å; W65-H67 AromaticContact CD1-ND1 3.91Å; W65-H67 AromaticContact CD1-NE2 3.88Å; W65-H67 AromaticContact NE1-ND1 3.88Å; H67-A70 PolarHBondContact O-N 2.88Å; H67-R71 WeakPolarHBondContact O-CG 3.32Å; H67-R71 PolarHBondContact O-N 3.33Å
68	D	97.6	Very high	97.6	Very high	64 Å²	64	54.3 Å²	54.3	34%	0.342	26%	0.262	S	S	.	.	H	α-helix	trans	-71.6	-38.2	178.2	-70.5	-17.2	0	0	0	111.6	N66 R71 Q72	N66-D68 VanDerWaalsContact C-N 3.3Å; N66-D68 PolarHBondContact O-N 3.3Å; N66-D68 PolarHBondContact OD1-N 2.12Å; N66-D68 VanDerWaalsContact OD1-N 3.13Å; D68-R71 IonicContact OD1-CZ 3.59Å; D68-R71 IonicContact OD1-NE 3.7Å; D68-R71 IonicContact OD1-NH2 2.66Å; D68-R71 PolarHBondContact OD1-NH2 3.02Å; D68-Q72 PolarHBondContact O-N 2.97Å; D68-Q72 PolarHBondContact O-NE2 2.93Å
69	L	98.7	Very high	97.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-66.7	-40.9	172.4	-66.5	-173.3	0	0	0	111.3	N66 Q72 A73 F92 V95 D142 N160	N66-L69 HydrophobicContact CB-CB 4.1Å; N66-L69 HydrophobicContact CB-CD1 3.97Å; N66-L69 HydrophobicContact CB-CG 4Å; N66-L69 PolarHBondContact O-N 2.82Å; N66-L69 PolarHBondContact OD1-N 3.2Å; N66-L69 VanDerWaalsContact OD1-N 3.12Å; L69-Q72 PolarHBondContact O-N 2.97Å; L69-A73 WeakPolarHBondContact O-CB 3.28Å; L69-A73 PolarHBondContact O-N 2.57Å; L69-F92 HydrophobicContact CD1-CD2 4.48Å; L69-F92 HydrophobicContact CD1-CE2 4.34Å; L69-V95 HydrophobicContact CD2-CG1 3.75Å; L69-V95 HydrophobicContact CD2-CG2 4.04Å; L69-D142 HydrophobicContact CD1-CB 4.18Å; L69-N160 HydrophobicContact CB-CB 4.01Å; L69-N160 HydrophobicContact CD2-CB 4.32Å; L69-N160 PolarHBondContact O-ND2 2.83Å
70	A	98.7	Very high	97.6	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-44.3	179.6	0	0	0	0	0	112.4	W65 N66 H67 Q72 A73 Q74 C145	W65-A70 HydrophobicContact CZ2-CB 3.54Å; N66-A70 WeakPolarHBondContact O-CB 3.48Å; N66-A70 PolarHBondContact O-N 2.93Å; H67-A70 PolarHBondContact O-N 2.88Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 2.92Å; A70-A73 PolarHBondContact O-N 2.98Å; A70-Q74 WeakPolarHBondContact O-CB 3.18Å; A70-Q74 PolarHBondContact O-N 3.4Å; A70-C145 WeakPolarHBondContact CB-O 3.25Å
71	R	98.4	Very high	97.5	Very high	168 Å²	168	50.6 Å²	50.6	63%	0.634	25%	0.254	S	S	*	.	H	α-helix	trans	-58.3	-41.9	176	-75.6	-174.1	-58.5	122.2	-4.9	112.3	H67 D68 S75	H67-R71 WeakPolarHBondContact O-CG 3.32Å; H67-R71 PolarHBondContact O-N 3.33Å; D68-R71 IonicContact OD1-CZ 3.59Å; D68-R71 IonicContact OD1-NE 3.7Å; D68-R71 IonicContact OD1-NH2 2.66Å; D68-R71 PolarHBondContact OD1-NH2 3.02Å; R71-S75 PolarHBondContact O-N 2.93Å; R71-S75 VanDerWaalsContact O-N 3.09Å
72	Q	98.7	Very high	97.7	Very high	45 Å²	45	55.3 Å²	55.3	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-43.4	176.5	-70.8	175	87.7	0	0	111.6	D68 L69 A70 Q74 S75 L76 H88	D68-Q72 PolarHBondContact O-N 2.97Å; D68-Q72 PolarHBondContact O-NE2 2.93Å; L69-Q72 PolarHBondContact O-N 2.97Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 2.92Å; Q72-Q74 VanDerWaalsContact C-N 3.33Å; Q72-Q74 PolarHBondContact O-N 2.84Å; Q72-S75 WeakPolarHBondContact O-CB 3.36Å; Q72-S75 PolarHBondContact O-N 2.92Å; Q72-L76 PolarHBondContact O-N 2.85Å; Q72-H88 PolarHBondContact NE2-O 2.05Å; Q72-H88 PolarHBondContact OE1-O 2.83Å
73	A	98.8	Very high	98	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-42.5	176.2	0	0	0	0	0	111.8	L69 A70 S75 L76 A77 V158 N160	L69-A73 WeakPolarHBondContact O-CB 3.28Å; L69-A73 PolarHBondContact O-N 2.57Å; A70-A73 PolarHBondContact O-N 2.98Å; A73-S75 PolarHBondContact O-N 3.48Å; A73-L76 PolarHBondContact O-N 3.18Å; A73-A77 WeakPolarHBondContact O-CB 3.39Å; A73-A77 PolarHBondContact O-N 3.02Å; A73-V158 HydrophobicContact CB-CB 4.13Å; A73-V158 HydrophobicContact CB-CG1 3.84Å; A73-N160 PolarHBondContact N-ND2 2.75Å
74	Q	98.7	Very high	97.9	Very high	63 Å²	63	64 Å²	64	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-40.8	176.1	-171.3	63.6	52.4	0	0	112.3	A70 Q72 L76 A77 N78 V147	A70-Q74 WeakPolarHBondContact O-CB 3.18Å; A70-Q74 PolarHBondContact O-N 3.4Å; Q72-Q74 VanDerWaalsContact C-N 3.33Å; Q72-Q74 PolarHBondContact O-N 2.84Å; Q74-L76 VanDerWaalsContact C-N 3.27Å; Q74-L76 PolarHBondContact O-N 2.96Å; Q74-A77 PolarHBondContact O-N 2.8Å; Q74-N78 PolarHBondContact NE2-OD1 3.27Å; Q74-N78 PolarHBondContact O-N 3.33Å; Q74-N78 PolarHBondContact O-ND2 3.29Å; Q74-N78 PolarHBondContact O-OD1 2.81Å; Q74-V147 PolarHBondContact NE2-O 2.76Å; Q74-V147 PolarHBondContact OE1-O 3.19Å
75	S	98.6	Very high	97.9	Very high	64 Å²	64	61.4 Å²	61.4	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-58.4	-39.9	175.1	-176.9	0	0	0	0	112.2	R71 Q72 A73	R71-S75 PolarHBondContact O-N 2.93Å; R71-S75 VanDerWaalsContact O-N 3.09Å; Q72-S75 WeakPolarHBondContact O-CB 3.36Å; Q72-S75 PolarHBondContact O-N 2.92Å; A73-S75 PolarHBondContact O-N 3.48Å
76	L	98.6	Very high	97.8	Very high	2 Å²	2	69 Å²	69	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-72.4	-43.9	173.9	-176.5	56.9	0	0	0	112.2	Q72 A73 Q74 N78 K79 I81 D85 I99 V158	Q72-L76 PolarHBondContact O-N 2.85Å; A73-L76 PolarHBondContact O-N 3.18Å; Q74-L76 VanDerWaalsContact C-N 3.27Å; Q74-L76 PolarHBondContact O-N 2.96Å; L76-N78 PolarHBondContact O-N 2.86Å; L76-K79 HydrophobicContact CD1-CD 4.11Å; L76-K79 WeakPolarHBondContact O-CB 3.25Å; L76-K79 PolarHBondContact O-N 2.97Å; L76-I81 HydrophobicContact CD1-CG1 4.29Å; L76-D85 HydrophobicContact CD1-CB 4.36Å; L76-I99 HydrophobicContact CD2-CD1 3.7Å; L76-I99 HydrophobicContact CD2-CG1 4.2Å; L76-V158 HydrophobicContact CB-CG1 4.3Å; L76-V158 HydrophobicContact CB-CG2 4.2Å; L76-V158 HydrophobicContact CD2-CG1 3.96Å; L76-V158 HydrophobicContact CD2-CG2 4.19Å; L76-V158 HydrophobicContact CG-CG1 4.45Å; L76-V158 HydrophobicContact CG-CG2 4.03Å
77	A	98.5	Very high	97.8	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-56.5	-40	-179.4	0	0	0	0	0	111.8	A73 Q74 K79 C80 A148 S156 V158	A73-A77 WeakPolarHBondContact O-CB 3.39Å; A73-A77 PolarHBondContact O-N 3.02Å; Q74-A77 PolarHBondContact O-N 2.8Å; A77-K79 PolarHBondContact O-N 2.93Å; A77-C80 PolarHBondContact O-N 2.81Å; A77-C80 VanDerWaalsContact O-N 3.09Å; A77-A148 HydrophobicContact CB-CB 4.17Å; A77-A148 WeakPolarHBondContact O-CB 3.43Å; A77-S156 WeakPolarHBondContact CA-OG 3.42Å; A77-S156 VanDerWaalsContact O-CB 3.32Å; A77-S156 WeakPolarHBondContact O-CB 3.32Å; A77-S156 PolarHBondContact O-OG 2.92Å; A77-V158 HydrophobicContact CB-CB 4.34Å; A77-V158 HydrophobicContact CB-CG2 3.88Å
78	N	98	Very high	97.7	Very high	102 Å²	102	72.3 Å²	72.3	55%	0.545	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.8	177	-68.6	-14.6	0	0	0	114.2	Q74 L76	Q74-N78 PolarHBondContact NE2-OD1 3.27Å; Q74-N78 PolarHBondContact O-N 3.33Å; Q74-N78 PolarHBondContact O-ND2 3.29Å; Q74-N78 PolarHBondContact O-OD1 2.81Å; L76-N78 PolarHBondContact O-N 2.86Å
79	K	97.3	Very high	97.6	Very high	107 Å²	107	71 Å²	71	47%	0.465	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.4	179.5	-59.5	173.9	-168.4	161.8	0	113	L76 A77 I81	L76-K79 HydrophobicContact CD1-CD 4.11Å; L76-K79 WeakPolarHBondContact O-CB 3.25Å; L76-K79 PolarHBondContact O-N 2.97Å; A77-K79 PolarHBondContact O-N 2.93Å; K79-I81 VanDerWaalsContact C-N 3.31Å; K79-I81 HydrophobicContact CB-CD1 4.12Å; K79-I81 HydrophobicContact CB-CG1 3.92Å; K79-I81 HydrophobicContact CD-CD1 4.32Å; K79-I81 WeakPolarHBondContact O-CG2 2.95Å; K79-I81 PolarHBondContact O-N 3.38Å
80	C	96.9	Very high	97.5	Very high	34 Å²	34	78.8 Å²	78.8	23%	0.23	38%	0.377	C	S	.	.			trans	53.7	41.4	-179.1	-62	0	0	0	0	114.3	A77 C150	A77-C80 PolarHBondContact O-N 2.81Å; A77-C80 VanDerWaalsContact O-N 3.09Å; C80-C150 VanDerWaalsContact CA-SG 3.53Å; C80-C150 HydrophobicContact CB-CB 3.8Å; C80-C150 WeakPolarHBondContact CB-SG 3.35Å; C80-C150 WeakPolarHBondContact SG-CA 3.45Å; C80-C150 WeakPolarHBondContact SG-CB 3.31Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 2.95Å
81	I	96.4	Very high	97.4	Very high	58 Å²	58	83.8 Å²	83.8	30%	0.297	40%	0.399	S	S	.	.			trans	-126.1	144.8	-179.6	60.5	178.8	0	0	0	111.8	L76 K79 R83	L76-I81 HydrophobicContact CD1-CG1 4.29Å; K79-I81 VanDerWaalsContact C-N 3.31Å; K79-I81 HydrophobicContact CB-CD1 4.12Å; K79-I81 HydrophobicContact CB-CG1 3.92Å; K79-I81 HydrophobicContact CD-CD1 4.32Å; K79-I81 WeakPolarHBondContact O-CG2 2.95Å; K79-I81 PolarHBondContact O-N 3.38Å; I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 HydrophobicContact CD1-CB 4.17Å; I81-R83 HydrophobicContact CG1-CB 4.36Å; I81-R83 PolarHBondContact O-N 3.15Å; I81-R83 VanDerWaalsContact O-N 3.16Å
82	L	96.3	Very high	97.4	Very high	116 Å²	116	77.2 Å²	77.2	61%	0.607	38%	0.375	S	S	*	.	S	Bend	trans	-87.8	60.7	172.6	-65.5	176	0	0	0	110.8	I99 L101	L82-I99 HydrophobicContact CD2-CB 4.43Å; L82-I99 HydrophobicContact CD2-CG2 3.83Å; L82-L101 HydrophobicContact CD1-CD1 4.1Å; L82-L101 HydrophobicContact CD1-CG 4.5Å; L82-L101 HydrophobicContact CD2-CB 4.47Å; L82-L101 HydrophobicContact CD2-CD1 4.24Å; L82-L101 HydrophobicContact CD2-CG 3.87Å; L82-L101 HydrophobicContact CG-CD1 3.82Å; L82-L101 HydrophobicContact CG-CG 4.03Å
83	R	97.6	Very high	97.3	Very high	173 Å²	173	81.1 Å²	81.1	65%	0.653	41%	0.407	S	S	*	.			trans	-141.3	127.6	179.8	-176.1	169.5	62.7	103.1	-3.8	110.9	I81 I99	I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 HydrophobicContact CD1-CB 4.17Å; I81-R83 HydrophobicContact CG1-CB 4.36Å; I81-R83 PolarHBondContact O-N 3.15Å; I81-R83 VanDerWaalsContact O-N 3.16Å; R83-I99 VanDerWaalsContact C-CD1 3.48Å
84	H	97.8	Very high	97.3	Very high	105 Å²	105	86.2 Å²	86.2	49%	0.486	43%	0.426	S	S	.	.			trans	-61	147.5	175.1	-67.5	-62.4	0	0	0	112.7	Q97	H84-Q97 PolarHBondContact CE1-O 3.05Å; H84-Q97 PolarHBondContact ND1-OE1 2.7Å
85	D	97.6	Very high	97.3	Very high	39 Å²	39	83.5 Å²	83.5	21%	0.209	41%	0.414	C	S	.	.			trans	-116	172.7	169.5	66.3	-7.5	0	0	0	112.3	L76 R87 Q97	L76-D85 HydrophobicContact CD1-CB 4.36Å; D85-R87 PolarHBondContact O-NH1 2.69Å; D85-Q97 PolarHBondContact OD1-NE2 3.15Å
86	K	96.8	Very high	97.3	Very high	183 Å²	183	80.5 Å²	80.5	80%	0.796	39%	0.393	S	S	*	.			trans	-75.4	130.8	172.3	-67.8	-175.5	179.8	-179	0	108.7
87	R	96.6	Very high	97.3	Very high	49 Å²	49	81 Å²	81	19%	0.185	40%	0.395	C	S	.	.			trans	-114.6	138.6	179.5	-61.2	163.6	-64.6	-89.5	4	108.8	D85 V95 Q97 N160	D85-R87 PolarHBondContact O-NH1 2.69Å; R87-V95 HydrophobicContact CB-CB 4Å; R87-V95 HydrophobicContact CB-CG1 4.08Å; R87-V95 HydrophobicContact CG-CG1 4.49Å; R87-V95 PolarHBondContact NE-O 2.97Å; R87-V95 PolarHBondContact NH2-O 2.7Å; R87-Q97 VanDerWaalsContact NH1-CD 3.32Å; R87-N160 WeakPolarHBondContact CD-OD1 3.44Å
88	H	94.4	Very high	97.3	Very high	134 Å²	134	81 Å²	81	62%	0.62	40%	0.395	S	S	*	.			trans	-120.2	137.8	-178.5	-60.1	-77.5	0	0	0	109.8	Q72	Q72-H88 PolarHBondContact NE2-O 2.05Å; Q72-H88 PolarHBondContact OE1-O 2.83Å
89	S	97	Very high	97.3	Very high	37 Å²	37	76.7 Å²	76.7	26%	0.259	37%	0.372	S	S	.	.			trans	-145.5	138.1	172.6	178.1	0	0	0	0	109.6	Q91 F92	S89-Q91 VanDerWaalsContact C-N 3.27Å; S89-Q91 PolarHBondContact OG-N 3.14Å; S89-F92 WeakPolarHBondContact CB-O 3.33Å; S89-F92 WeakPolarHBondContact OG-CD2 2.99Å; S89-F92 PolarHBondContact OG-N 3.41Å
90	N	95.9	Very high	97.4	Very high	165 Å²	165	72.1 Å²	72.1	88%	0.882	35%	0.354	S	S	*	.	S	Bend	trans	-83	-9.6	169.5	-65.4	-36.6	0	0	0	111.9
91	Q	97.2	Very high	97.4	Very high	116 Å²	116	72.4 Å²	72.4	54%	0.542	35%	0.353	S	S	.	.	S	Bend	trans	-104.9	-27.9	-175.9	-58.5	-176	34.5	0	0	112.5	S89	S89-Q91 VanDerWaalsContact C-N 3.27Å; S89-Q91 PolarHBondContact OG-N 3.14Å
92	F	97.8	Very high	97.5	Very high	29 Å²	29	72.3 Å²	72.3	13%	0.127	35%	0.352	C	S	.	.			trans	-129.6	127.7	-173.4	-49.2	-63.2	0	0	0	110	L69 S89 W94 V95 D142 G162 P163	L69-F92 HydrophobicContact CD1-CD2 4.48Å; L69-F92 HydrophobicContact CD1-CE2 4.34Å; S89-F92 WeakPolarHBondContact CB-O 3.33Å; S89-F92 WeakPolarHBondContact OG-CD2 2.99Å; S89-F92 PolarHBondContact OG-N 3.41Å; F92-W94 PolarHBondContact O-N 3.28Å; F92-V95 HydrophobicContact CB-CG2 4.25Å; F92-D142 HydrophobicContact CE2-CB 3.75Å; F92-D142 HydrophobicContact CZ-CB 3.7Å; F92-D142 VanDerWaalsContact CZ-OD2 3.31Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.31Å; F92-G162 VanDerWaalsContact CD2-CA 3.5Å; F92-P163 HydrophobicContact CD1-CB 4.27Å
93	S	96.9	Very high	97.5	Very high	127 Å²	127	71.2 Å²	71.2	89%	0.888	35%	0.351	S	S	*	.	S	Bend	trans	-67.1	-27.4	175	53.7	0	0	0	0	112.8
94	W	97.6	Very high	97.5	Very high	108 Å²	108	66.3 Å²	66.3	41%	0.409	34%	0.341	S	S	.	.			trans	-132.3	135.8	177.9	173	-124.1	0	0	0	110.1	F92 G164 G165 W167	F92-W94 PolarHBondContact O-N 3.28Å; W94-G164 VanDerWaalsContact CD1-O 3.32Å; W94-G164 PolarHBondContact O-N 3.01Å; W94-G165 PolarHBondContact NE1-O 3.26Å; W94-W167 HydrophobicContact CB-CZ2 3.94Å; W94-W167 AromaticContact CD1-NE1 3.83Å; W94-W167 HydrophobicContact CG-CZ2 4.23Å
95	V	98.7	Very high	97.6	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.036	32%	0.318	C	S	.	.			trans	-125.1	120.2	177.1	-179.7	0	0	0	0	108.6	L69 R87 F92 N160 Y161	L69-V95 HydrophobicContact CD2-CG1 3.75Å; L69-V95 HydrophobicContact CD2-CG2 4.04Å; R87-V95 HydrophobicContact CB-CB 4Å; R87-V95 HydrophobicContact CB-CG1 4.08Å; R87-V95 HydrophobicContact CG-CG1 4.49Å; R87-V95 PolarHBondContact NE-O 2.97Å; R87-V95 PolarHBondContact NH2-O 2.7Å; F92-V95 HydrophobicContact CB-CG2 4.25Å; V95-N160 HydrophobicContact CG1-CB 3.87Å; V95-Y161 CarbonylContact C-O 3.57Å; V95-Y161 VanDerWaalsContact CA-O 3.29Å; V95-Y161 WeakPolarHBondContact CA-O 3.14Å; V95-Y161 WeakPolarHBondContact CG1-O 3.38Å
96	G	98.6	Very high	97.6	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	163	175.1	0	0	0	0	0	111.8	Q134 N160 Y161	G96-Q134 VanDerWaalsContact CA-OE1 3.25Å; G96-N160 CarbonylContact O-C 3.59Å; G96-N160 VanDerWaalsContact O-CA 3.28Å; G96-N160 WeakPolarHBondContact O-CA 3.43Å; G96-Y161 PolarHBondContact N-O 3.28Å; G96-Y161 PolarHBondContact O-N 3.14Å
97	Q	98.8	Very high	97.7	Very high	11 Å²	11	57 Å²	57	5%	0.051	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	134.2	178.2	-173.5	173.4	72.7	0	0	112.1	H84 D85 R87 I99 V158 C159 N160	H84-Q97 PolarHBondContact CE1-O 3.05Å; H84-Q97 PolarHBondContact ND1-OE1 2.7Å; D85-Q97 PolarHBondContact OD1-NE2 3.15Å; R87-Q97 VanDerWaalsContact NH1-CD 3.32Å; Q97-I99 HydrophobicContact CG-CD1 4.47Å; Q97-I99 HydrophobicContact CG-CG1 3.98Å; Q97-V158 HydrophobicContact CG-CG1 4.03Å; Q97-C159 CarbonylContact C-O 3.56Å; Q97-C159 VanDerWaalsContact CA-O 3.25Å; Q97-C159 WeakPolarHBondContact CA-O 3.47Å; Q97-N160 WeakPolarHBondContact CG-OD1 3.28Å; Q97-N160 PolarHBondContact NE2-OD1 3.25Å
98	N	98.9	Very high	97.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.1	167.1	-70.4	-0.2	0	0	0	109	W112 H131 V158 C159 Y161	N98-W112 HydrophobicContact CB-CD2 3.86Å; N98-W112 HydrophobicContact CB-CE3 4.01Å; N98-W112 HydrophobicContact CB-CH2 3.74Å; N98-W112 HydrophobicContact CB-CZ2 3.58Å; N98-W112 HydrophobicContact CB-CZ3 3.95Å; N98-H131 PolarHBondContact ND2-O 2.63Å; N98-V158 WeakPolarHBondContact O-CA 3.47Å; N98-C159 PolarHBondContact N-O 3.16Å; N98-C159 PolarHBondContact O-N 3.17Å; N98-Y161 HydrophobicContact CB-CE2 3.88Å; N98-Y161 PolarHBondContact ND2-OH 3.47Å
99	I	98.7	Very high	98	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.2	-179.1	-46.8	174.9	0	0	0	108.4	L76 L82 R83 Q97 W112 I157 V158	L76-I99 HydrophobicContact CD2-CD1 3.7Å; L76-I99 HydrophobicContact CD2-CG1 4.2Å; L82-I99 HydrophobicContact CD2-CB 4.43Å; L82-I99 HydrophobicContact CD2-CG2 3.83Å; R83-I99 VanDerWaalsContact C-CD1 3.48Å; Q97-I99 HydrophobicContact CG-CD1 4.47Å; Q97-I99 HydrophobicContact CG-CG1 3.98Å; I99-W112 VanDerWaalsContact C-CZ2 3.47Å; I99-W112 PolarHBondContact O-NE1 3.06Å; I99-I157 WeakPolarHBondContact CA-O 3.39Å; I99-V158 HydrophobicContact CG2-CG2 4.14Å
100	A	98.1	Very high	98.1	Very high	10 Å²	10	48.1 Å²	48.1	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.7	176.1	0	0	0	0	0	110.9	W112 S156 I157	A100-W112 HydrophobicContact CB-CZ2 3.56Å; A100-S156 WeakPolarHBondContact O-CA 2.84Å; A100-I157 PolarHBondContact N-O 3.39Å; A100-I157 PolarHBondContact O-N 3.5Å
101	L	98.1	Very high	98.2	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.209	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.3	163.3	-68.8	174.9	0	0	0	107	L82 C150 Y153 L155	L82-L101 HydrophobicContact CD1-CD1 4.1Å; L82-L101 HydrophobicContact CD1-CG 4.5Å; L82-L101 HydrophobicContact CD2-CB 4.47Å; L82-L101 HydrophobicContact CD2-CD1 4.24Å; L82-L101 HydrophobicContact CD2-CG 3.87Å; L82-L101 HydrophobicContact CG-CD1 3.82Å; L82-L101 HydrophobicContact CG-CG 4.03Å; L101-C150 HydrophobicContact CD2-CB 4.41Å; L101-Y153 HydrophobicContact CB-CG 4.39Å; L101-Y153 HydrophobicContact CD1-CD1 4.41Å; L101-Y153 HydrophobicContact CD1-CD2 3.71Å; L101-Y153 HydrophobicContact CD1-CE2 4.08Å; L101-Y153 HydrophobicContact CD1-CG 3.89Å; L101-Y153 HydrophobicContact CD2-CD2 4.24Å; L101-Y153 HydrophobicContact CG-CD2 4.49Å; L101-L155 CarbonylContact C-O 3.48Å; L101-L155 VanDerWaalsContact CA-O 3.29Å; L101-L155 WeakPolarHBondContact CA-O 3.41Å
102	H	97.7	Very high	98.3	Very high	57 Å²	57	36.9 Å²	36.9	26%	0.264	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.3	-172.1	-137.6	-79.6	0	0	0	111.8	T104 S107 Y153 L155 I157	H102-T104 VanDerWaalsContact C-N 3.28Å; H102-T104 PolarHBondContact O-N 3.32Å; H102-S107 WeakPolarHBondContact CE1-CB 2.95Å; H102-S107 PolarHBondContact CE1-OG 2.02Å; H102-S107 WeakPolarHBondContact ND1-CB 3.28Å; H102-S107 PolarHBondContact ND1-OG 3.09Å; H102-Y153 CarbonylContact C-O 3.57Å; H102-L155 PolarHBondContact N-O 3.28Å; H102-L155 WeakPolarHBondContact O-CA 3.44Å; H102-L155 WeakPolarHBondContact O-CB 3.13Å; H102-L155 PolarHBondContact O-N 3.3Å; H102-I157 HydrophobicContact CB-CD1 4.26Å
103	P	96.9	Very high	98.3	Very high	93 Å²	93	36.1 Å²	36.1	60%	0.604	20%	0.204	S	C	*	.	S	Bend	trans	-53.5	-35.8	178	-34.5	36.1	0	0	0	116.2
104	T	97.7	Very high	98.4	Very high	69 Å²	69	33.3 Å²	33.3	42%	0.423	18%	0.179	S	C	.	.	S	Bend	trans	-139.3	158.8	-179.5	71.1	0	0	0	0	111.6	H102 S107 G108	H102-T104 VanDerWaalsContact C-N 3.28Å; H102-T104 PolarHBondContact O-N 3.32Å; T104-S107 PolarHBondContact N-OG 3.22Å; T104-S107 VanDerWaalsContact N-OG 3.15Å; T104-S107 PolarHBondContact O-N 3.44Å; T104-S107 PolarHBondContact O-OG 3.26Å; T104-S107 VanDerWaalsContact O-OG 3.05Å; T104-S107 WeakPolarHBondContact OG1-CB 3.37Å; T104-S107 PolarHBondContact OG1-N 3.32Å; T104-S107 VanDerWaalsContact OG1-N 3.15Å; T104-S107 PolarHBondContact OG1-OG 3.34Å; T104-G108 PolarHBondContact O-N 3.48Å
105	I	98.7	Very high	98.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-53.3	-56.2	173.1	-73.3	171.4	0	0	0	110.2	N31 E34 L35 L38 S107 G108 V109 V147 L155	N31-I105 HydrophobicContact CB-CD1 3.54Å; E34-I105 HydrophobicContact CB-CG2 4.35Å; E34-I105 HydrophobicContact CG-CG2 3.81Å; L35-I105 HydrophobicContact CD1-CD1 4.47Å; L35-I105 HydrophobicContact CD2-CG2 3.62Å; L35-I105 HydrophobicContact CG-CD1 4.47Å; L35-I105 HydrophobicContact CG-CG2 3.73Å; L38-I105 HydrophobicContact CD1-CG2 3.88Å; I105-S107 VanDerWaalsContact C-N 3.31Å; I105-S107 PolarHBondContact O-N 3.42Å; I105-G108 PolarHBondContact O-N 2.98Å; I105-G108 VanDerWaalsContact O-N 3.17Å; I105-V109 HydrophobicContact CG2-CG2 4.33Å; I105-V109 WeakPolarHBondContact O-CG2 3.4Å; I105-V109 PolarHBondContact O-N 3.41Å; I105-V147 HydrophobicContact CD1-CG2 4.03Å; I105-V147 HydrophobicContact CG1-CG1 4.45Å; I105-V147 HydrophobicContact CG1-CG2 4.15Å; I105-L155 HydrophobicContact CG1-CD1 4.03Å
106	K	98.6	Very high	98.5	Very high	98 Å²	98	30.2 Å²	30.2	43%	0.426	17%	0.169	S	C	.	.	H	α-helix	trans	-49.9	-51.9	178.8	-172.9	-173.6	-174.3	-44	0	112	E34 L38 G108 V109 D110	E34-K106 PolarHBondContact OE1-N 3.39Å; L38-K106 HydrophobicContact CD1-CB 4.37Å; L38-K106 HydrophobicContact CD2-CG 4.44Å; K106-G108 VanDerWaalsContact C-N 3.33Å; K106-G108 PolarHBondContact O-N 2.98Å; K106-V109 PolarHBondContact O-N 3.28Å; K106-D110 WeakPolarHBondContact CG-OD1 3.16Å; K106-D110 IonicContact NZ-OD1 2.85Å; K106-D110 PolarHBondContact NZ-OD1 3.37Å; K106-D110 IonicContact NZ-OD2 3.94Å; K106-D110 PolarHBondContact NZ-OD2 3.35Å; K106-D110 VanDerWaalsContact O-CB 3.28Å; K106-D110 WeakPolarHBondContact O-CB 3.49Å; K106-D110 PolarHBondContact O-N 2.9Å
107	S	98.2	Very high	98.4	Very high	29 Å²	29	37 Å²	37	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-68.3	-31.4	-174.7	56.4	0	0	0	0	113.2	H102 T104 I105 A111	H102-S107 WeakPolarHBondContact CE1-CB 2.95Å; H102-S107 PolarHBondContact CE1-OG 2.02Å; H102-S107 WeakPolarHBondContact ND1-CB 3.28Å; H102-S107 PolarHBondContact ND1-OG 3.09Å; T104-S107 PolarHBondContact N-OG 3.22Å; T104-S107 VanDerWaalsContact N-OG 3.15Å; T104-S107 PolarHBondContact O-N 3.44Å; T104-S107 PolarHBondContact O-OG 3.26Å; T104-S107 VanDerWaalsContact O-OG 3.05Å; T104-S107 WeakPolarHBondContact OG1-CB 3.37Å; T104-S107 PolarHBondContact OG1-N 3.32Å; T104-S107 VanDerWaalsContact OG1-N 3.15Å; T104-S107 PolarHBondContact OG1-OG 3.34Å; I105-S107 VanDerWaalsContact C-N 3.31Å; I105-S107 PolarHBondContact O-N 3.42Å; S107-A111 WeakPolarHBondContact O-CB 3.25Å; S107-A111 PolarHBondContact O-N 2.97Å
108	G	98.5	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-44	171.1	0	0	0	0	0	113.6	T104 I105 K106 A111 W112	T104-G108 PolarHBondContact O-N 3.48Å; I105-G108 PolarHBondContact O-N 2.98Å; I105-G108 VanDerWaalsContact O-N 3.17Å; K106-G108 VanDerWaalsContact C-N 3.33Å; K106-G108 PolarHBondContact O-N 2.98Å; G108-A111 WeakPolarHBondContact O-CB 3.48Å; G108-A111 PolarHBondContact O-N 3.27Å; G108-W112 PolarHBondContact O-N 3.4Å; G108-W112 VanDerWaalsContact O-N 3.14Å
109	V	98.9	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-38.2	177.3	-176.4	0	0	0	0	111.3	L35 L38 Y42 I105 K106 A111 W112 F113 M135	L35-V109 HydrophobicContact CD2-CG2 3.7Å; L38-V109 HydrophobicContact CB-CB 4.5Å; L38-V109 HydrophobicContact CB-CG1 3.95Å; L38-V109 HydrophobicContact CD1-CB 4.12Å; L38-V109 HydrophobicContact CD1-CG1 4.47Å; L38-V109 HydrophobicContact CD1-CG2 4.11Å; Y42-V109 HydrophobicContact CD2-CG1 4.01Å; Y42-V109 HydrophobicContact CE2-CG1 3.89Å; I105-V109 HydrophobicContact CG2-CG2 4.33Å; I105-V109 WeakPolarHBondContact O-CG2 3.4Å; I105-V109 PolarHBondContact O-N 3.41Å; K106-V109 PolarHBondContact O-N 3.28Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.02Å; V109-W112 HydrophobicContact CG2-CE3 4.36Å; V109-W112 HydrophobicContact CG2-CZ3 4.28Å; V109-W112 PolarHBondContact O-N 3.2Å; V109-F113 WeakPolarHBondContact O-CB 3.48Å; V109-F113 PolarHBondContact O-N 3.26Å; V109-M135 HydrophobicContact CG1-CE 3.51Å; V109-M135 HydrophobicContact CG1-SD 4.48Å
110	D	98.8	Very high	98.4	Very high	34 Å²	34	43.3 Å²	43.3	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-44.3	171	-72.3	8.3	0	0	0	110.2	Y42 K106 F113 N114	Y42-D110 PolarHBondContact OH-OD1 2.63Å; K106-D110 WeakPolarHBondContact CG-OD1 3.16Å; K106-D110 IonicContact NZ-OD1 2.85Å; K106-D110 PolarHBondContact NZ-OD1 3.37Å; K106-D110 IonicContact NZ-OD2 3.94Å; K106-D110 PolarHBondContact NZ-OD2 3.35Å; K106-D110 VanDerWaalsContact O-CB 3.28Å; K106-D110 WeakPolarHBondContact O-CB 3.49Å; K106-D110 PolarHBondContact O-N 2.9Å; D110-F113 PolarHBondContact O-N 2.96Å; D110-N114 WeakPolarHBondContact O-CB 3.45Å; D110-N114 VanDerWaalsContact O-CG 3.27Å; D110-N114 PolarHBondContact O-N 3.21Å; D110-N114 PolarHBondContact O-ND2 2.75Å
111	A	98.7	Very high	98.4	Very high	41 Å²	41	44.2 Å²	44.2	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-48.2	179.9	0	0	0	0	0	111.5	S107 G108 V109 F113 N114	S107-A111 WeakPolarHBondContact O-CB 3.25Å; S107-A111 PolarHBondContact O-N 2.97Å; G108-A111 WeakPolarHBondContact O-CB 3.48Å; G108-A111 PolarHBondContact O-N 3.27Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.02Å; A111-F113 PolarHBondContact O-N 3.05Å; A111-N114 PolarHBondContact O-N 3.06Å
112	W	98.9	Very high	98.3	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-45.7	173.9	-67.1	-27.2	0	0	0	112.3	N98 I99 A100 G108 V109 E115 H131 Y132 M135 I157 C159	N98-W112 HydrophobicContact CB-CD2 3.86Å; N98-W112 HydrophobicContact CB-CE3 4.01Å; N98-W112 HydrophobicContact CB-CH2 3.74Å; N98-W112 HydrophobicContact CB-CZ2 3.58Å; N98-W112 HydrophobicContact CB-CZ3 3.95Å; I99-W112 VanDerWaalsContact C-CZ2 3.47Å; I99-W112 PolarHBondContact O-NE1 3.06Å; A100-W112 HydrophobicContact CB-CZ2 3.56Å; G108-W112 PolarHBondContact O-N 3.4Å; G108-W112 VanDerWaalsContact O-N 3.14Å; V109-W112 HydrophobicContact CG2-CE3 4.36Å; V109-W112 HydrophobicContact CG2-CZ3 4.28Å; V109-W112 PolarHBondContact O-N 3.2Å; W112-E115 WeakPolarHBondContact O-CB 3.34Å; W112-E115 PolarHBondContact O-N 3.16Å; W112-H131 HydrophobicContact CB-CB 3.66Å; W112-H131 VanDerWaalsContact CD1-CB 3.41Å; W112-H131 AromaticContact CD1-CD2 3.75Å; W112-H131 AromaticContact CD1-CG 3.34Å; W112-H131 AromaticContact CD1-ND1 3.65Å; W112-H131 HydrophobicContact CG-CB 3.62Å; W112-H131 AromaticContact NE1-CD2 3.72Å; W112-H131 AromaticContact NE1-CG 3.81Å; W112-Y132 WeakPolarHBondContact O-CA 3.46Å; W112-Y132 WeakPolarHBondContact O-CB 3.38Å; W112-Y132 PolarHBondContact O-N 2.67Å; W112-M135 HydrophobicContact CB-SD 3.48Å; W112-M135 WeakPolarHBondContact CB-SD 3.2Å; W112-M135 HydrophobicContact CE3-SD 4.24Å; W112-M135 HydrophobicContact CG-SD 4.47Å; W112-I157 HydrophobicContact CH2-CB 4.36Å; W112-I157 HydrophobicContact CH2-CG2 3.77Å; W112-I157 HydrophobicContact CZ3-CG2 4.32Å; W112-C159 HydrophobicContact CH2-CB 4.39Å; W112-C159 HydrophobicContact CZ3-CB 4.3Å
113	F	98.8	Very high	98.3	Very high	13 Å²	13	52.2 Å²	52.2	6%	0.057	28%	0.275	C	S	.	.	H	α-helix	trans	-70.3	-37	-176.8	-167.1	-108.5	0	0	0	112.4	Y42 L46 V51 V109 D110 A111 E115 H116 Y132 M135	Y42-F113 HydrophobicContact CD1-CB 4.46Å; Y42-F113 AromaticContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD2 4.2Å; Y42-F113 AromaticContact CD1-CE1 3.36Å; Y42-F113 HydrophobicContact CD1-CE1 3.36Å; Y42-F113 HydrophobicContact CD1-CE2 4.27Å; Y42-F113 AromaticContact CD1-CG 3.72Å; Y42-F113 HydrophobicContact CD1-CG 3.72Å; Y42-F113 AromaticContact CD1-CZ 3.84Å; Y42-F113 HydrophobicContact CD1-CZ 3.84Å; Y42-F113 HydrophobicContact CD2-CB 4.07Å; Y42-F113 HydrophobicContact CD2-CD1 4.39Å; Y42-F113 HydrophobicContact CD2-CD2 4.33Å; Y42-F113 HydrophobicContact CD2-CG 4Å; Y42-F113 AromaticContact CE1-CD1 3.58Å; Y42-F113 HydrophobicContact CE1-CD1 3.58Å; Y42-F113 AromaticContact CE1-CE1 3.96Å; Y42-F113 HydrophobicContact CE1-CE1 3.96Å; Y42-F113 HydrophobicContact CE1-CG 4.16Å; Y42-F113 HydrophobicContact CE2-CB 4.2Å; Y42-F113 HydrophobicContact CE2-CG 4.43Å; Y42-F113 HydrophobicContact CG-CB 4.23Å; Y42-F113 AromaticContact CG-CD1 3.76Å; Y42-F113 HydrophobicContact CG-CD1 3.76Å; Y42-F113 AromaticContact CG-CD2 3.82Å; Y42-F113 HydrophobicContact CG-CD2 3.82Å; Y42-F113 AromaticContact CG-CE1 3.97Å; Y42-F113 HydrophobicContact CG-CE1 3.97Å; Y42-F113 HydrophobicContact CG-CE2 4.06Å; Y42-F113 AromaticContact CG-CG 3.65Å; Y42-F113 HydrophobicContact CG-CG 3.65Å; Y42-F113 HydrophobicContact CG-CZ 4.09Å; L46-F113 HydrophobicContact CD1-CE2 4.26Å; L46-F113 HydrophobicContact CG-CE2 4.5Å; L46-F113 HydrophobicContact CG-CZ 4.29Å; V51-F113 HydrophobicContact CG1-CE1 4.36Å; V51-F113 HydrophobicContact CG1-CZ 4.35Å; V51-F113 HydrophobicContact CG2-CE1 3.95Å; V51-F113 HydrophobicContact CG2-CZ 3.69Å; V109-F113 WeakPolarHBondContact O-CB 3.48Å; V109-F113 PolarHBondContact O-N 3.26Å; D110-F113 PolarHBondContact O-N 2.96Å; A111-F113 PolarHBondContact O-N 3.05Å; F113-E115 PolarHBondContact O-N 3.05Å; F113-E115 VanDerWaalsContact O-N 3.1Å; F113-H116 WeakPolarHBondContact O-CB 3.41Å; F113-H116 PolarHBondContact O-CD2 3.5Å; F113-H116 PolarHBondContact O-N 2.97Å; F113-Y132 AromaticContact CD2-CD2 3.93Å; F113-Y132 HydrophobicContact CD2-CD2 3.93Å; F113-Y132 HydrophobicContact CD2-CE2 4.24Å; F113-Y132 HydrophobicContact CE2-CD2 4.02Å; F113-Y132 AromaticContact CE2-CE2 3.84Å; F113-Y132 HydrophobicContact CE2-CE2 3.84Å; F113-Y132 HydrophobicContact CZ-CE2 4.4Å; F113-Y132 WeakPolarHBondContact O-CD2 3.1Å; F113-M135 HydrophobicContact CB-CE 4.03Å; F113-M135 HydrophobicContact CB-SD 4.19Å; F113-M135 HydrophobicContact CD2-CE 4.09Å; F113-M135 HydrophobicContact CD2-SD 4.49Å; F113-M135 HydrophobicContact CG-CE 4.47Å
114	N	98.7	Very high	98.3	Very high	67 Å²	67	49.9 Å²	49.9	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-16.6	178.1	-85.3	-55.8	0	0	0	113.7	D110 A111 H116 K117	D110-N114 WeakPolarHBondContact O-CB 3.45Å; D110-N114 VanDerWaalsContact O-CG 3.27Å; D110-N114 PolarHBondContact O-N 3.21Å; D110-N114 PolarHBondContact O-ND2 2.75Å; A111-N114 PolarHBondContact O-N 3.06Å; N114-H116 PolarHBondContact O-N 3.18Å; N114-H116 VanDerWaalsContact O-N 3.08Å; N114-K117 WeakPolarHBondContact O-CG 3.46Å; N114-K117 PolarHBondContact O-N 2.77Å; N114-K117 VanDerWaalsContact O-N 3.15Å; N114-K117 PolarHBondContact OD1-NZ 3.42Å
115	E	98.8	Very high	98.3	Very high	33 Å²	33	50.6 Å²	50.6	15%	0.154	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61	-11.3	169	-64.9	177.6	-177.4	0	0	113.3	W112 F113 K117 L118 Y119 C129 L130 H131 Y132	W112-E115 WeakPolarHBondContact O-CB 3.34Å; W112-E115 PolarHBondContact O-N 3.16Å; F113-E115 PolarHBondContact O-N 3.05Å; F113-E115 VanDerWaalsContact O-N 3.1Å; E115-K117 PolarHBondContact O-N 3.31Å; E115-L118 WeakPolarHBondContact O-CB 3.32Å; E115-L118 PolarHBondContact O-N 3.19Å; E115-Y119 PolarHBondContact O-N 2.74Å; E115-C129 HydrophobicContact CB-CB 3.99Å; E115-C129 WeakPolarHBondContact O-CB 3.49Å; E115-C129 WeakPolarHBondContact OE2-CA 3.28Å; E115-L130 PolarHBondContact OE2-N 3.31Å; E115-H131 IonicContact OE1-CE1 2.76Å; E115-H131 IonicContact OE1-CG 3.8Å; E115-H131 IonicContact OE1-ND1 2.91Å; E115-H131 PolarHBondContact OE1-ND1 3.42Å; E115-H131 WeakPolarHBondContact OE2-CA 3.37Å; E115-H131 VanDerWaalsContact OE2-CB 3.25Å; E115-H131 WeakPolarHBondContact OE2-CB 3.49Å; E115-H131 IonicContact OE2-CG 3.88Å; E115-H131 PolarHBondContact OE2-N 2.79Å; E115-H131 IonicContact OE2-ND1 3.91Å; E115-H131 PolarHBondContact OE2-ND1 2.91Å; E115-Y132 PolarHBondContact OE2-N 2.99Å
116	H	98.7	Very high	98.1	Very high	17 Å²	17	52 Å²	52	8%	0.079	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-51.9	-27.3	168.5	81.5	86.5	0	0	0	112.7	V51 D52 Q54 F113 N114 L118 Y119 Y132	V51-H116 HydrophobicContact CG1-CB 4.19Å; D52-H116 PolarHBondContact O-CE1 3.07Å; D52-H116 VanDerWaalsContact O-CE1 3.25Å; D52-H116 PolarHBondContact O-ND1 3.34Å; D52-H116 VanDerWaalsContact O-ND1 3.14Å; Q54-H116 HydrophobicContact CG-CB 4.11Å; Q54-H116 PolarHBondContact NE2-O 3.37Å; F113-H116 WeakPolarHBondContact O-CB 3.41Å; F113-H116 PolarHBondContact O-CD2 3.5Å; F113-H116 PolarHBondContact O-N 2.97Å; N114-H116 PolarHBondContact O-N 3.18Å; N114-H116 VanDerWaalsContact O-N 3.08Å; H116-L118 PolarHBondContact O-N 3.05Å; H116-Y119 PolarHBondContact O-N 3.3Å; H116-Y132 HydrophobicContact CB-CD1 4.19Å; H116-Y132 HydrophobicContact CB-CD2 3.49Å; H116-Y132 VanDerWaalsContact CB-CD2 3.49Å; H116-Y132 HydrophobicContact CB-CE1 4.09Å; H116-Y132 HydrophobicContact CB-CE2 3.36Å; H116-Y132 HydrophobicContact CB-CG 3.9Å
117	K	98.4	Very high	97.9	Very high	144 Å²	144	51.7 Å²	51.7	63%	0.626	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-70.8	-20.6	178	-61.4	169.7	-172.8	164.9	0	112.7	N114 E115	N114-K117 WeakPolarHBondContact O-CG 3.46Å; N114-K117 PolarHBondContact O-N 2.77Å; N114-K117 VanDerWaalsContact O-N 3.15Å; N114-K117 PolarHBondContact OD1-NZ 3.42Å; E115-K117 PolarHBondContact O-N 3.31Å
118	L	98.3	Very high	97.8	Very high	86 Å²	86	57.3 Å²	57.3	45%	0.45	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-99.9	-6	-179	-55.6	177.1	0	0	0	112.3	E115 H116 P127 Q128 C129	E115-L118 WeakPolarHBondContact O-CB 3.32Å; E115-L118 PolarHBondContact O-N 3.19Å; H116-L118 PolarHBondContact O-N 3.05Å; L118-P127 WeakPolarHBondContact O-CD 3.44Å; L118-Q128 HydrophobicContact CD1-CB 4.11Å; L118-Q128 WeakPolarHBondContact CD1-O 3.21Å; L118-C129 HydrophobicContact CB-CB 4.24Å
119	Y	98.6	Very high	97.8	Very high	10 Å²	10	57.3 Å²	57.3	4%	0.039	30%	0.299	C	S	.	.			trans	-94.4	124.7	179.1	-177.3	-123.6	0	0	0	111.6	Q54 E115 H116 Y121 N124 N125 C126 C129 Y132 T133 P172	Q54-Y119 PolarHBondContact NE2-O 3.25Å; E115-Y119 PolarHBondContact O-N 2.74Å; H116-Y119 PolarHBondContact O-N 3.3Å; Y119-Y121 VanDerWaalsContact CE1-CA 3.48Å; Y119-Y121 AromaticContact CE1-CD2 3.76Å; Y119-Y121 HydrophobicContact CE1-CD2 3.76Å; Y119-Y121 HydrophobicContact CE1-CG 4.15Å; Y119-N124 PolarHBondContact OH-OD1 2.78Å; Y119-N125 VanDerWaalsContact CD2-O 3.27Å; Y119-N125 WeakPolarHBondContact CD2-O 3.39Å; Y119-C126 HydrophobicContact CD2-CB 3.99Å; Y119-C126 HydrophobicContact CE2-CB 4.37Å; Y119-C129 WeakPolarHBondContact CB-SG 3.46Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.41Å; Y119-Y132 HydrophobicContact CD1-CD1 4.27Å; Y119-Y132 AromaticContact CD1-CE1 3.56Å; Y119-Y132 HydrophobicContact CD1-CE1 3.56Å; Y119-Y132 HydrophobicContact CE1-CE1 4.33Å; Y119-Y132 HydrophobicContact CG-CD1 4.25Å; Y119-Y132 AromaticContact CG-CE1 3.99Å; Y119-Y132 HydrophobicContact CG-CE1 3.99Å; Y119-T133 HydrophobicContact CD2-CG2 3.86Å; Y119-T133 HydrophobicContact CE2-CG2 3.94Å; Y119-T133 HydrophobicContact CG-CG2 4.15Å; Y119-P172 HydrophobicContact CE1-CG 4.05Å; Y119-P172 WeakPolarHBondContact OH-CD 3.36Å
120	N	98.3	Very high	97.7	Very high	59 Å²	59	62.1 Å²	62.1	32%	0.316	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-97.3	103.6	167.1	-171	-55	0	0	0	109.9	N122 M123 N124 N125	N120-N122 PolarHBondContact O-N 3.44Å; N120-N122 PolarHBondContact OD1-N 3.41Å; N120-N122 VanDerWaalsContact OD1-N 3.1Å; N120-M123 HydrophobicContact CB-CB 4.31Å; N120-M123 HydrophobicContact CB-CE 3.86Å; N120-M123 VanDerWaalsContact CG-CE 3.49Å; N120-M123 WeakPolarHBondContact ND2-CE 3.4Å; N120-M123 PolarHBondContact OD1-N 2.88Å; N120-N124 WeakPolarHBondContact O-CA 3.37Å; N120-N124 PolarHBondContact O-N 3.4Å; N120-N125 HydrophobicContact CB-CB 4.36Å; N120-N125 PolarHBondContact N-O 3.39Å; N120-N125 PolarHBondContact O-N 2.88Å; N120-N125 VanDerWaalsContact O-N 3.09Å
121	Y	98.4	Very high	97.7	Very high	29 Å²	29	63 Å²	63	11%	0.114	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-43.7	-179	-175.7	-78.6	0	0	0	112.7	P55 Y119 M123 N124 K171 Y173 V175	P55-Y121 HydrophobicContact CG-CD1 3.54Å; P55-Y121 HydrophobicContact CG-CD2 3.81Å; P55-Y121 HydrophobicContact CG-CE1 4.08Å; P55-Y121 HydrophobicContact CG-CE2 4.34Å; P55-Y121 HydrophobicContact CG-CG 3.43Å; P55-Y121 VanDerWaalsContact CG-CG 3.43Å; Y119-Y121 VanDerWaalsContact CE1-CA 3.48Å; Y119-Y121 AromaticContact CE1-CD2 3.76Å; Y119-Y121 HydrophobicContact CE1-CD2 3.76Å; Y119-Y121 HydrophobicContact CE1-CG 4.15Å; Y121-M123 PolarHBondContact O-N 3.42Å; Y121-N124 PolarHBondContact O-N 3.4Å; Y121-K171 HydrophobicContact CD1-CD 4.03Å; Y121-K171 HydrophobicContact CE1-CD 3.48Å; Y121-K171 VanDerWaalsContact CE1-CD 3.48Å; Y121-K171 HydrophobicContact CE2-CB 4.2Å; Y121-K171 HydrophobicContact CE2-CD 4.06Å; Y121-K171 VanDerWaalsContact CZ-CD 3.46Å; Y121-K171 WeakPolarHBondContact O-CE 3.46Å; Y121-Y173 HydrophobicContact CD2-CE1 4.33Å; Y121-Y173 AromaticContact CD2-CE2 3.98Å; Y121-Y173 HydrophobicContact CD2-CE2 3.98Å; Y121-Y173 AromaticContact CD2-CZ 3.79Å; Y121-Y173 AromaticContact CE2-CD2 3.86Å; Y121-Y173 HydrophobicContact CE2-CD2 3.86Å; Y121-Y173 HydrophobicContact CE2-CE1 4.28Å; Y121-Y173 AromaticContact CE2-CE2 3.57Å; Y121-Y173 HydrophobicContact CE2-CE2 3.57Å; Y121-Y173 HydrophobicContact CE2-CG 4.36Å; Y121-Y173 AromaticContact CE2-CZ 3.8Å; Y121-Y173 PolarHBondContact OH-O 3.1Å; Y121-V175 HydrophobicContact CD1-CG2 4.18Å; Y121-V175 HydrophobicContact CE1-CG2 3.45Å; Y121-V175 VanDerWaalsContact CE1-CG2 3.45Å; Y121-V175 HydrophobicContact CE2-CG2 3.9Å; Y121-V175 WeakPolarHBondContact OH-CG2 3.36Å
122	N	96.9	Very high	97.8	Very high	135 Å²	135	61.1 Å²	61.1	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-45.1	-175.2	-68.4	-22.6	0	0	0	111.5	N120 N124	N120-N122 PolarHBondContact O-N 3.44Å; N120-N122 PolarHBondContact OD1-N 3.41Å; N120-N122 VanDerWaalsContact OD1-N 3.1Å; N122-N124 VanDerWaalsContact C-N 3.29Å
123	M	97.2	Very high	97.7	Very high	130 Å²	130	61.1 Å²	61.1	64%	0.64	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.6	177.8	-59.7	-166	-69.9	0	0	113.3	N120 Y121 N125	N120-M123 HydrophobicContact CB-CB 4.31Å; N120-M123 HydrophobicContact CB-CE 3.86Å; N120-M123 VanDerWaalsContact CG-CE 3.49Å; N120-M123 WeakPolarHBondContact ND2-CE 3.4Å; N120-M123 PolarHBondContact OD1-N 2.88Å; Y121-M123 PolarHBondContact O-N 3.42Å; M123-N125 HydrophobicContact CB-CB 4.08Å; M123-N125 PolarHBondContact O-N 3.1Å
124	N	97.1	Very high	97.7	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.241	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.4	-167.5	-162	27.1	0	0	0	112.6	Y119 N120 Y121 N122 E170 K171	Y119-N124 PolarHBondContact OH-OD1 2.78Å; N120-N124 WeakPolarHBondContact O-CA 3.37Å; N120-N124 PolarHBondContact O-N 3.4Å; Y121-N124 PolarHBondContact O-N 3.4Å; N122-N124 VanDerWaalsContact C-N 3.29Å; N124-E170 PolarHBondContact ND2-O 2.85Å; N124-E170 PolarHBondContact OD1-O 3.18Å; N124-K171 HydrophobicContact CB-CG 4.13Å
125	N	97.3	Very high	97.8	Very high	84 Å²	84	57.6 Å²	57.6	45%	0.449	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-101.4	129.2	-176.1	-177.7	38.9	0	0	0	110.6	Y119 N120 M123	Y119-N125 VanDerWaalsContact CD2-O 3.27Å; Y119-N125 WeakPolarHBondContact CD2-O 3.39Å; N120-N125 HydrophobicContact CB-CB 4.36Å; N120-N125 PolarHBondContact N-O 3.39Å; N120-N125 PolarHBondContact O-N 2.88Å; N120-N125 VanDerWaalsContact O-N 3.09Å; M123-N125 HydrophobicContact CB-CB 4.08Å; M123-N125 PolarHBondContact O-N 3.1Å
126	C	95.2	Very high	97.8	Very high	33 Å²	33	56 Å²	56	22%	0.223	29%	0.287	C	S	.	.			trans	-140.2	79.3	-172.9	-172.8	0	0	0	0	111.6	Y119 C129 L130	Y119-C126 HydrophobicContact CD2-CB 3.99Å; Y119-C126 HydrophobicContact CE2-CB 4.37Å; C126-C129 WeakPolarHBondContact CA-SG 3.45Å; C126-C129 HydrophobicContact CB-CB 4.43Å; C126-C129 WeakPolarHBondContact CB-SG 3.5Å; C126-C129 WeakPolarHBondContact SG-CA 3.36Å; C126-C129 WeakPolarHBondContact SG-CB 3.48Å; C126-C129 PolarHBondContact SG-N 3.15Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 3.08Å; C126-L130 PolarHBondContact SG-N 3.45Å; C126-L130 VanDerWaalsContact SG-N 3.44Å
127	P	93.6	Very high	97.8	Very high	91 Å²	91	55.5 Å²	55.5	59%	0.591	28%	0.284	S	S	*	.	S	Bend	trans	-65.6	-42.5	179.9	24.1	-32.8	0	0	0	112.5	L118	L118-P127 WeakPolarHBondContact O-CD 3.44Å
128	Q	95.9	Very high	97.8	Very high	147 Å²	147	49.5 Å²	49.5	69%	0.687	26%	0.261	S	S	*	.	S	Bend	trans	-147.9	52.6	-176.4	-65.8	-177.6	-55.4	0	0	110.3	L118	L118-Q128 HydrophobicContact CD1-CB 4.11Å; L118-Q128 WeakPolarHBondContact CD1-O 3.21Å
129	C	98.2	Very high	97.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.			trans	-134.4	14.9	-172.8	83.9	0	0	0	0	116	E115 L118 Y119 C126 H131 Y132 T133	E115-C129 HydrophobicContact CB-CB 3.99Å; E115-C129 WeakPolarHBondContact O-CB 3.49Å; E115-C129 WeakPolarHBondContact OE2-CA 3.28Å; L118-C129 HydrophobicContact CB-CB 4.24Å; Y119-C129 WeakPolarHBondContact CB-SG 3.46Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.41Å; C126-C129 WeakPolarHBondContact CA-SG 3.45Å; C126-C129 HydrophobicContact CB-CB 4.43Å; C126-C129 WeakPolarHBondContact CB-SG 3.5Å; C126-C129 WeakPolarHBondContact SG-CA 3.36Å; C126-C129 WeakPolarHBondContact SG-CB 3.48Å; C126-C129 PolarHBondContact SG-N 3.15Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 3.08Å; C129-H131 PolarHBondContact O-N 2.83Å; C129-Y132 WeakPolarHBondContact O-CB 3.27Å; C129-Y132 PolarHBondContact O-N 3.46Å; C129-Y132 VanDerWaalsContact O-N 3.09Å; C129-T133 PolarHBondContact O-N 2.84Å; C129-T133 PolarHBondContact O-OG1 3.46Å
130	L	98.3	Very high	97.8	Very high	102 Å²	102	51.1 Å²	51.1	53%	0.534	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-22.1	-171.3	-68.9	177.9	0	0	0	112.9	E115 C126 T133 Q134 N166	E115-L130 PolarHBondContact OE2-N 3.31Å; C126-L130 PolarHBondContact SG-N 3.45Å; C126-L130 VanDerWaalsContact SG-N 3.44Å; L130-T133 WeakPolarHBondContact CA-OG1 3.47Å; L130-T133 PolarHBondContact O-OG1 2.97Å; L130-Q134 WeakPolarHBondContact O-CB 3.41Å; L130-Q134 PolarHBondContact O-N 3.04Å; L130-N166 HydrophobicContact CD2-CB 4.5Å; L130-N166 PolarHBondContact O-ND2 3.37Å
131	H	98.8	Very high	97.8	Very high	53 Å²	53	50.6 Å²	50.6	25%	0.245	26%	0.264	C	S	.	.	H	α-helix	trans	-73.2	-44.4	172.9	-53.8	116.4	0	0	0	110.4	N98 W112 E115 C129 Q134 M135	N98-H131 PolarHBondContact ND2-O 2.63Å; W112-H131 HydrophobicContact CB-CB 3.66Å; W112-H131 VanDerWaalsContact CD1-CB 3.41Å; W112-H131 AromaticContact CD1-CD2 3.75Å; W112-H131 AromaticContact CD1-CG 3.34Å; W112-H131 AromaticContact CD1-ND1 3.65Å; W112-H131 HydrophobicContact CG-CB 3.62Å; W112-H131 AromaticContact NE1-CD2 3.72Å; W112-H131 AromaticContact NE1-CG 3.81Å; E115-H131 IonicContact OE1-CE1 2.76Å; E115-H131 IonicContact OE1-CG 3.8Å; E115-H131 IonicContact OE1-ND1 2.91Å; E115-H131 PolarHBondContact OE1-ND1 3.42Å; E115-H131 WeakPolarHBondContact OE2-CA 3.37Å; E115-H131 VanDerWaalsContact OE2-CB 3.25Å; E115-H131 WeakPolarHBondContact OE2-CB 3.49Å; E115-H131 IonicContact OE2-CG 3.88Å; E115-H131 PolarHBondContact OE2-N 2.79Å; E115-H131 IonicContact OE2-ND1 3.91Å; E115-H131 PolarHBondContact OE2-ND1 2.91Å; C129-H131 PolarHBondContact O-N 2.83Å; H131-Q134 PolarHBondContact O-N 3.2Å; H131-M135 WeakPolarHBondContact O-CG 3.38Å; H131-M135 PolarHBondContact O-N 3.09Å
132	Y	98.9	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-50.6	174.5	162.3	-102.1	0	0	0	111.9	L46 W112 F113 E115 H116 Y119 C129 Q134 M135 A136	L46-Y132 HydrophobicContact CD1-CE2 4.36Å; L46-Y132 HydrophobicContact CD2-CE2 4.47Å; L46-Y132 WeakPolarHBondContact CD2-OH 3.28Å; W112-Y132 WeakPolarHBondContact O-CA 3.46Å; W112-Y132 WeakPolarHBondContact O-CB 3.38Å; W112-Y132 PolarHBondContact O-N 2.67Å; F113-Y132 AromaticContact CD2-CD2 3.93Å; F113-Y132 HydrophobicContact CD2-CD2 3.93Å; F113-Y132 HydrophobicContact CD2-CE2 4.24Å; F113-Y132 HydrophobicContact CE2-CD2 4.02Å; F113-Y132 AromaticContact CE2-CE2 3.84Å; F113-Y132 HydrophobicContact CE2-CE2 3.84Å; F113-Y132 HydrophobicContact CZ-CE2 4.4Å; F113-Y132 WeakPolarHBondContact O-CD2 3.1Å; E115-Y132 PolarHBondContact OE2-N 2.99Å; H116-Y132 HydrophobicContact CB-CD1 4.19Å; H116-Y132 HydrophobicContact CB-CD2 3.49Å; H116-Y132 VanDerWaalsContact CB-CD2 3.49Å; H116-Y132 HydrophobicContact CB-CE1 4.09Å; H116-Y132 HydrophobicContact CB-CE2 3.36Å; H116-Y132 HydrophobicContact CB-CG 3.9Å; Y119-Y132 HydrophobicContact CD1-CD1 4.27Å; Y119-Y132 AromaticContact CD1-CE1 3.56Å; Y119-Y132 HydrophobicContact CD1-CE1 3.56Å; Y119-Y132 HydrophobicContact CE1-CE1 4.33Å; Y119-Y132 HydrophobicContact CG-CD1 4.25Å; Y119-Y132 AromaticContact CG-CE1 3.99Å; Y119-Y132 HydrophobicContact CG-CE1 3.99Å; C129-Y132 WeakPolarHBondContact O-CB 3.27Å; C129-Y132 PolarHBondContact O-N 3.46Å; C129-Y132 VanDerWaalsContact O-N 3.09Å; Y132-Q134 PolarHBondContact O-N 2.94Å; Y132-M135 WeakPolarHBondContact O-CB 3.47Å; Y132-M135 PolarHBondContact O-N 3.18Å; Y132-A136 HydrophobicContact CD2-CB 4.48Å; Y132-A136 HydrophobicContact CE1-CB 4.39Å; Y132-A136 HydrophobicContact CE2-CB 3.99Å; Y132-A136 WeakPolarHBondContact O-CB 3.35Å; Y132-A136 PolarHBondContact O-N 3.42Å
133	T	98.6	Very high	97.9	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-32.3	-177.3	53.9	0	0	0	0	111.6	Y119 C129 L130 A136 W137 N166 P172	Y119-T133 HydrophobicContact CD2-CG2 3.86Å; Y119-T133 HydrophobicContact CE2-CG2 3.94Å; Y119-T133 HydrophobicContact CG-CG2 4.15Å; C129-T133 PolarHBondContact O-N 2.84Å; C129-T133 PolarHBondContact O-OG1 3.46Å; L130-T133 WeakPolarHBondContact CA-OG1 3.47Å; L130-T133 PolarHBondContact O-OG1 2.97Å; T133-A136 PolarHBondContact O-N 3.42Å; T133-W137 PolarHBondContact O-N 3.4Å; T133-N166 WeakPolarHBondContact CB-OD1 3.04Å; T133-N166 PolarHBondContact OG1-OD1 3.45Å; T133-P172 HydrophobicContact CG2-CG 4.45Å
134	Q	98.9	Very high	98	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-44.9	171.5	-178.7	56.5	84.4	0	0	112.3	G96 L130 H131 Y132 A136 W137 Y161 G165 N166	G96-Q134 VanDerWaalsContact CA-OE1 3.25Å; L130-Q134 WeakPolarHBondContact O-CB 3.41Å; L130-Q134 PolarHBondContact O-N 3.04Å; H131-Q134 PolarHBondContact O-N 3.2Å; Y132-Q134 PolarHBondContact O-N 2.94Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 2.89Å; Q134-W137 WeakPolarHBondContact O-CB 3.43Å; Q134-W137 PolarHBondContact O-N 3.28Å; Q134-Y161 HydrophobicContact CG-CD1 4.3Å; Q134-Y161 HydrophobicContact CG-CD2 3.35Å; Q134-Y161 HydrophobicContact CG-CE1 4.49Å; Q134-Y161 HydrophobicContact CG-CE2 3.58Å; Q134-Y161 HydrophobicContact CG-CG 3.75Å; Q134-G165 VanDerWaalsContact NE2-N 3.13Å; Q134-N166 PolarHBondContact N-OD1 2.82Å
135	M	98.9	Very high	98.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-39.3	176.4	-70.2	178.7	69.3	0	0	112	Y42 R43 V109 W112 F113 H131 Y132 W137	Y42-M135 HydrophobicContact CD2-CE 3.9Å; R43-M135 WeakPolarHBondContact CG-O 3.36Å; R43-M135 PolarHBondContact NH1-O 2.94Å; V109-M135 HydrophobicContact CG1-CE 3.51Å; V109-M135 HydrophobicContact CG1-SD 4.48Å; W112-M135 HydrophobicContact CB-SD 3.48Å; W112-M135 WeakPolarHBondContact CB-SD 3.2Å; W112-M135 HydrophobicContact CE3-SD 4.24Å; W112-M135 HydrophobicContact CG-SD 4.47Å; F113-M135 HydrophobicContact CB-CE 4.03Å; F113-M135 HydrophobicContact CB-SD 4.19Å; F113-M135 HydrophobicContact CD2-CE 4.09Å; F113-M135 HydrophobicContact CD2-SD 4.49Å; F113-M135 HydrophobicContact CG-CE 4.47Å; H131-M135 WeakPolarHBondContact O-CG 3.38Å; H131-M135 PolarHBondContact O-N 3.09Å; Y132-M135 WeakPolarHBondContact O-CB 3.47Å; Y132-M135 PolarHBondContact O-N 3.18Å; M135-W137 PolarHBondContact O-N 3.45Å
136	A	98.8	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	5.1	-179	0	0	0	0	0	113.7	L46 M60 Y132 T133 Q134 A138 P172 Y173	L46-A136 HydrophobicContact CD1-CB 3.62Å; M60-A136 VanDerWaalsContact CE-O 3.25Å; M60-A136 WeakPolarHBondContact CE-O 3.5Å; Y132-A136 HydrophobicContact CD2-CB 4.48Å; Y132-A136 HydrophobicContact CE1-CB 4.39Å; Y132-A136 HydrophobicContact CE2-CB 3.99Å; Y132-A136 WeakPolarHBondContact O-CB 3.35Å; Y132-A136 PolarHBondContact O-N 3.42Å; T133-A136 PolarHBondContact O-N 3.42Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 2.89Å; A136-A138 PolarHBondContact O-N 2.86Å; A136-P172 HydrophobicContact CB-CB 4.09Å; A136-P172 HydrophobicContact CB-CG 4.47Å; A136-Y173 HydrophobicContact CB-CD1 4.09Å; A136-Y173 HydrophobicContact CB-CE1 4.14Å
137	W	98.8	Very high	98.3	Very high	6 Å²	6	30 Å²	30	2%	0.023	16%	0.157	C	C	.	.			trans	-73.4	104	-174.9	-153.1	-96.7	0	0	0	111.6	R43 T133 Q134 M135 K139 T140 G165 W167 E170 P172	R43-W137 PolarHBondContact NH1-O 3.38Å; R43-W137 PolarHBondContact NH2-O 2.96Å; T133-W137 PolarHBondContact O-N 3.4Å; Q134-W137 WeakPolarHBondContact O-CB 3.43Å; Q134-W137 PolarHBondContact O-N 3.28Å; M135-W137 PolarHBondContact O-N 3.45Å; W137-K139 PolarHBondContact O-N 3.42Å; W137-T140 WeakPolarHBondContact O-CB 3.46Å; W137-T140 PolarHBondContact O-N 3.01Å; W137-G165 VanDerWaalsContact CE2-CA 3.43Å; W137-W167 HydrophobicContact CH2-CB 4.13Å; W137-W167 HydrophobicContact CZ2-CB 3.96Å; W137-W167 AromaticContact CZ2-CD1 3.67Å; W137-W167 HydrophobicContact CZ2-CG 4.22Å; W137-E170 HydrophobicContact CH2-CB 3.77Å; W137-E170 HydrophobicContact CZ2-CB 4.02Å; W137-P172 CarbonylContact C-O 3.45Å; W137-P172 WeakPolarHBondContact CA-O 3.41Å; W137-P172 VanDerWaalsContact CE3-CA 3.49Å; W137-P172 HydrophobicContact CE3-CB 3.74Å; W137-P172 HydrophobicContact CZ3-CB 4.14Å
138	A	98.7	Very high	98.5	Very high	17 Å²	17	26.3 Å²	26.3	14%	0.14	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.3	-172.3	0	0	0	0	0	113	R43 M60 A136 T140 P172	R43-A138 PolarHBondContact NH2-O 3.47Å; M60-A138 HydrophobicContact SD-CB 4Å; A136-A138 PolarHBondContact O-N 2.86Å; A138-T140 VanDerWaalsContact C-N 3.29Å; A138-T140 PolarHBondContact O-N 2.98Å; A138-P172 PolarHBondContact N-O 3.27Å
139	K	98.3	Very high	98.6	Very high	130 Å²	130	25.1 Å²	25.1	57%	0.565	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-16.3	179	-63	176.2	-176.8	167.8	0	113.6	W137 T141 P163 E170	W137-K139 PolarHBondContact O-N 3.42Å; K139-T141 PolarHBondContact O-N 3.35Å; K139-P163 WeakPolarHBondContact O-CD 3.37Å; K139-P163 VanDerWaalsContact O-CG 3.25Å; K139-P163 WeakPolarHBondContact O-CG 3.47Å; K139-E170 IonicContact NZ-OE2 2.64Å; K139-E170 PolarHBondContact NZ-OE2 3.34Å
140	T	98.8	Very high	98.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.133	C	C	.	.			trans	-69.1	125.6	174.3	-63.4	0	0	0	0	109.4	R43 L63 W137 A138 D142 Y161 P163	R43-T140 PolarHBondContact NH2-O 3.45Å; R43-T140 VanDerWaalsContact NH2-O 3.1Å; L63-T140 HydrophobicContact CD2-CG2 3.87Å; L63-T140 WeakPolarHBondContact CD2-O 3.38Å; W137-T140 WeakPolarHBondContact O-CB 3.46Å; W137-T140 PolarHBondContact O-N 3.01Å; A138-T140 VanDerWaalsContact C-N 3.29Å; A138-T140 PolarHBondContact O-N 2.98Å; T140-D142 WeakPolarHBondContact CG2-O 3.37Å; T140-Y161 HydrophobicContact CG2-CD1 4.19Å; T140-P163 PolarHBondContact OG1-O 2.92Å
141	T	98.6	Very high	98	Very high	47 Å²	47	26.3 Å²	26.3	29%	0.288	15%	0.146	S	C	.	.			trans	-109.7	-28.1	-179.3	55.5	0	0	0	0	112.1	L63 K64 K139 G162	L63-T141 CarbonylContact C-O 3.45Å; L63-T141 WeakPolarHBondContact CA-O 3.23Å; K64-T141 WeakPolarHBondContact CG-O 3.47Å; K64-T141 PolarHBondContact N-O 2.84Å; K139-T141 PolarHBondContact O-N 3.35Å; T141-G162 PolarHBondContact N-O 2.86Å; T141-G162 PolarHBondContact OG1-O 3.36Å
142	D	98.7	Very high	97.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.1	-170.7	-71.4	-124	0	0	0	110.6	K64 N66 L69 F92 T140 G162	K64-D142 WeakPolarHBondContact CE-OD1 3.34Å; K64-D142 WeakPolarHBondContact CE-OD2 3.44Å; K64-D142 IonicContact NZ-OD1 2.63Å; K64-D142 IonicContact NZ-OD2 2.78Å; K64-D142 WeakPolarHBondContact O-CA 3.26Å; N66-D142 HydrophobicContact CB-CB 4.01Å; N66-D142 PolarHBondContact ND2-OD1 3.42Å; L69-D142 HydrophobicContact CD1-CB 4.18Å; F92-D142 HydrophobicContact CE2-CB 3.75Å; F92-D142 HydrophobicContact CZ-CB 3.7Å; F92-D142 VanDerWaalsContact CZ-OD2 3.31Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.31Å; T140-D142 WeakPolarHBondContact CG2-O 3.37Å; D142-G162 WeakPolarHBondContact CB-O 3.36Å; D142-G162 PolarHBondContact N-O 3.42Å; D142-G162 PolarHBondContact O-N 3.1Å
143	I	98.8	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.2	171.6	-169.5	174.2	0	0	0	109.7	L36 H39 L63 K64 W65 N66 C159 N160 Y161	L36-I143 HydrophobicContact CD1-CG2 3.49Å; L36-I143 VanDerWaalsContact CD1-CG2 3.49Å; H39-I143 HydrophobicContact CB-CD1 4.21Å; L63-I143 HydrophobicContact CB-CG2 4.04Å; L63-I143 HydrophobicContact CD1-CB 4.33Å; L63-I143 HydrophobicContact CD1-CD1 4.36Å; L63-I143 HydrophobicContact CD1-CG2 4.13Å; K64-I143 PolarHBondContact O-N 2.93Å; W65-I143 CarbonylContact C-O 3.58Å; W65-I143 VanDerWaalsContact CA-O 3.32Å; W65-I143 WeakPolarHBondContact CA-O 3.34Å; W65-I143 HydrophobicContact CE3-CG2 4.33Å; N66-I143 PolarHBondContact N-O 3.26Å; I143-C159 HydrophobicContact CD1-CB 4.28Å; I143-C159 HydrophobicContact CG1-CB 4.45Å; I143-N160 WeakPolarHBondContact CA-O 3.4Å; I143-Y161 HydrophobicContact CD1-CD1 4.14Å; I143-Y161 HydrophobicContact CD1-CE1 3.62Å; I143-Y161 HydrophobicContact CG1-CD1 4.17Å; I143-Y161 HydrophobicContact CG1-CE1 4.1Å
144	G	98.8	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.2	166.8	0	0	0	0	0	109.2	N160	G144-N160 PolarHBondContact N-O 2.99Å; G144-N160 PolarHBondContact O-N 3.32Å
145	C	98.9	Very high	96.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163.5	-176	-51.5	0	0	0	0	112	L35 W65 A70 V158 C159	L35-C145 HydrophobicContact CB-CB 4.28Å; L35-C145 HydrophobicContact CD1-CB 3.57Å; L35-C145 HydrophobicContact CG-CB 4.37Å; W65-C145 HydrophobicContact CH2-CB 3.74Å; W65-C145 HydrophobicContact CZ3-CB 4.19Å; A70-C145 WeakPolarHBondContact CB-O 3.25Å; C145-V158 CarbonylContact C-O 3.57Å; C145-V158 WeakPolarHBondContact CA-O 3.49Å; C145-V158 WeakPolarHBondContact CB-O 3.4Å; C145-C159 HydrophobicContact CB-CB 4.08Å; C145-C159 WeakPolarHBondContact CB-SG 3.5Å; C145-C159 VanDerWaalsContact SG-CA 3.57Å; C145-C159 WeakPolarHBondContact SG-CB 3.31Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 2.72Å
146	G	98.7	Very high	96.6	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.3	171.6	0	0	0	0	0	110.9	V158	G146-V158 PolarHBondContact N-O 3.09Å; G146-V158 PolarHBondContact O-N 3.46Å
147	V	98.6	Very high	96.6	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.109	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132	-178.6	-177.2	0	0	0	0	109	N31 L35 Q74 I105 L155 S156	N31-V147 HydrophobicContact CB-CG2 4.35Å; L35-V147 HydrophobicContact CD1-CG2 3.47Å; L35-V147 VanDerWaalsContact CD1-CG2 3.47Å; Q74-V147 PolarHBondContact NE2-O 2.76Å; Q74-V147 PolarHBondContact OE1-O 3.19Å; I105-V147 HydrophobicContact CD1-CG2 4.03Å; I105-V147 HydrophobicContact CG1-CG1 4.45Å; I105-V147 HydrophobicContact CG1-CG2 4.15Å; V147-L155 HydrophobicContact CG1-CB 4.16Å; V147-L155 HydrophobicContact CG1-CD1 4.01Å; V147-L155 HydrophobicContact CG1-CD2 4.18Å; V147-L155 HydrophobicContact CG1-CG 4.35Å; V147-S156 WeakPolarHBondContact CA-O 3.45Å
148	A	98.4	Very high	96.6	Very high	12 Å²	12	41.8 Å²	41.8	10%	0.099	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.4	173	0	0	0	0	0	110.2	A77 C150 L155 S156	A77-A148 HydrophobicContact CB-CB 4.17Å; A77-A148 WeakPolarHBondContact O-CB 3.43Å; A148-C150 PolarHBondContact O-N 3.29Å; A148-L155 CarbonylContact O-C 3.57Å; A148-L155 WeakPolarHBondContact O-CA 3.21Å; A148-S156 PolarHBondContact N-O 2.89Å; A148-S156 PolarHBondContact O-N 2.76Å
149	N	98	Very high	96.6	Very high	123 Å²	123	41 Å²	41	66%	0.658	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.9	168.2	-174.3	47.9	0	0	0	109.3	G154	N149-G154 PolarHBondContact OD1-O 3.02Å
150	C	94.5	Very high	96.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104	179.1	-67.9	0	0	0	0	108.5	C80 L101 A148 R152 Y153 G154 S156	C80-C150 VanDerWaalsContact CA-SG 3.53Å; C80-C150 HydrophobicContact CB-CB 3.8Å; C80-C150 WeakPolarHBondContact CB-SG 3.35Å; C80-C150 WeakPolarHBondContact SG-CA 3.45Å; C80-C150 WeakPolarHBondContact SG-CB 3.31Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 2.95Å; L101-C150 HydrophobicContact CD2-CB 4.41Å; A148-C150 PolarHBondContact O-N 3.29Å; C150-R152 PolarHBondContact O-N 3.06Å; C150-Y153 HydrophobicContact CB-CD2 4.49Å; C150-Y153 PolarHBondContact O-N 2.94Å; C150-G154 PolarHBondContact N-O 2.79Å; C150-G154 PolarHBondContact O-N 3.35Å; C150-G154 VanDerWaalsContact O-N 3.09Å; C150-S156 WeakPolarHBondContact SG-CB 3.46Å
151	P	88.7	Confident	96.7	Very high	124 Å²	124	34.9 Å²	34.9	81%	0.805	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-29.4	-167	-32.1	35.3	0	0	0	116.2
152	R	86.4	Confident	96.7	Very high	213 Å²	213	32.6 Å²	32.6	80%	0.804	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-15.3	-178.9	-65.4	-175.2	179.7	-172.4	-0.5	114.8	C150	C150-R152 PolarHBondContact O-N 3.06Å
153	Y	85.7	Confident	96.6	Very high	121 Å²	121	34.4 Å²	34.4	48%	0.475	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	0.7	-163.1	-50.2	-67.6	0	0	0	115	L101 H102 C150	L101-Y153 HydrophobicContact CB-CG 4.39Å; L101-Y153 HydrophobicContact CD1-CD1 4.41Å; L101-Y153 HydrophobicContact CD1-CD2 3.71Å; L101-Y153 HydrophobicContact CD1-CE2 4.08Å; L101-Y153 HydrophobicContact CD1-CG 3.89Å; L101-Y153 HydrophobicContact CD2-CD2 4.24Å; L101-Y153 HydrophobicContact CG-CD2 4.49Å; H102-Y153 CarbonylContact C-O 3.57Å; C150-Y153 HydrophobicContact CB-CD2 4.49Å; C150-Y153 PolarHBondContact O-N 2.94Å
154	G	95.9	Very high	96.6	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.4	-107.6	-170.8	0	0	0	0	0	110.3	N149 C150	N149-G154 PolarHBondContact OD1-O 3.02Å; C150-G154 PolarHBondContact N-O 2.79Å; C150-G154 PolarHBondContact O-N 3.35Å; C150-G154 VanDerWaalsContact O-N 3.09Å
155	L	98.3	Very high	96.6	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.188	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.7	-177.8	-55.4	179.4	0	0	0	111.4	L101 H102 I105 V147 A148 I157	L101-L155 CarbonylContact C-O 3.48Å; L101-L155 VanDerWaalsContact CA-O 3.29Å; L101-L155 WeakPolarHBondContact CA-O 3.41Å; H102-L155 PolarHBondContact N-O 3.28Å; H102-L155 WeakPolarHBondContact O-CA 3.44Å; H102-L155 WeakPolarHBondContact O-CB 3.13Å; H102-L155 PolarHBondContact O-N 3.3Å; I105-L155 HydrophobicContact CG1-CD1 4.03Å; V147-L155 HydrophobicContact CG1-CB 4.16Å; V147-L155 HydrophobicContact CG1-CD1 4.01Å; V147-L155 HydrophobicContact CG1-CD2 4.18Å; V147-L155 HydrophobicContact CG1-CG 4.35Å; A148-L155 CarbonylContact O-C 3.57Å; A148-L155 WeakPolarHBondContact O-CA 3.21Å; L155-I157 HydrophobicContact CB-CD1 4.41Å; L155-I157 HydrophobicContact CB-CG1 4.02Å
156	S	98.4	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.2	156	176	0	0	0	0	109	A77 A100 V147 A148 C150	A77-S156 WeakPolarHBondContact CA-OG 3.42Å; A77-S156 VanDerWaalsContact O-CB 3.32Å; A77-S156 WeakPolarHBondContact O-CB 3.32Å; A77-S156 PolarHBondContact O-OG 2.92Å; A100-S156 WeakPolarHBondContact O-CA 2.84Å; V147-S156 WeakPolarHBondContact CA-O 3.45Å; A148-S156 PolarHBondContact N-O 2.89Å; A148-S156 PolarHBondContact O-N 2.76Å; C150-S156 WeakPolarHBondContact SG-CB 3.46Å
157	I	98.8	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123	-178	-54.1	159	0	0	0	107.3	L35 I99 A100 H102 W112 L155	L35-I157 HydrophobicContact CD2-CG2 3.73Å; I99-I157 WeakPolarHBondContact CA-O 3.39Å; A100-I157 PolarHBondContact N-O 3.39Å; A100-I157 PolarHBondContact O-N 3.5Å; H102-I157 HydrophobicContact CB-CD1 4.26Å; W112-I157 HydrophobicContact CH2-CB 4.36Å; W112-I157 HydrophobicContact CH2-CG2 3.77Å; W112-I157 HydrophobicContact CZ3-CG2 4.32Å; L155-I157 HydrophobicContact CB-CD1 4.41Å; L155-I157 HydrophobicContact CB-CG1 4.02Å
158	V	98.9	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.7	177.4	-177.9	0	0	0	0	108.6	A73 L76 A77 Q97 N98 I99 C145 G146	A73-V158 HydrophobicContact CB-CB 4.13Å; A73-V158 HydrophobicContact CB-CG1 3.84Å; L76-V158 HydrophobicContact CB-CG1 4.3Å; L76-V158 HydrophobicContact CB-CG2 4.2Å; L76-V158 HydrophobicContact CD2-CG1 3.96Å; L76-V158 HydrophobicContact CD2-CG2 4.19Å; L76-V158 HydrophobicContact CG-CG1 4.45Å; L76-V158 HydrophobicContact CG-CG2 4.03Å; A77-V158 HydrophobicContact CB-CB 4.34Å; A77-V158 HydrophobicContact CB-CG2 3.88Å; Q97-V158 HydrophobicContact CG-CG1 4.03Å; N98-V158 WeakPolarHBondContact O-CA 3.47Å; I99-V158 HydrophobicContact CG2-CG2 4.14Å; C145-V158 CarbonylContact C-O 3.57Å; C145-V158 WeakPolarHBondContact CA-O 3.49Å; C145-V158 WeakPolarHBondContact CB-O 3.4Å; G146-V158 PolarHBondContact N-O 3.09Å; G146-V158 PolarHBondContact O-N 3.46Å
159	C	99	Very high	96	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	171.5	-74.2	0	0	0	0	110	Q97 N98 W112 I143 C145 Y161	Q97-C159 CarbonylContact C-O 3.56Å; Q97-C159 VanDerWaalsContact CA-O 3.25Å; Q97-C159 WeakPolarHBondContact CA-O 3.47Å; N98-C159 PolarHBondContact N-O 3.16Å; N98-C159 PolarHBondContact O-N 3.17Å; W112-C159 HydrophobicContact CH2-CB 4.39Å; W112-C159 HydrophobicContact CZ3-CB 4.3Å; I143-C159 HydrophobicContact CD1-CB 4.28Å; I143-C159 HydrophobicContact CG1-CB 4.45Å; C145-C159 HydrophobicContact CB-CB 4.08Å; C145-C159 WeakPolarHBondContact CB-SG 3.5Å; C145-C159 VanDerWaalsContact SG-CA 3.57Å; C145-C159 WeakPolarHBondContact SG-CB 3.31Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 2.72Å; C159-Y161 HydrophobicContact CB-CE1 4.46Å; C159-Y161 HydrophobicContact CB-CE2 3.83Å; C159-Y161 WeakPolarHBondContact CB-OH 3.47Å; C159-Y161 VanDerWaalsContact O-CE2 3.27Å; C159-Y161 WeakPolarHBondContact O-CE2 3.33Å
160	N	98.9	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.5	173.7	-71.7	-27.8	0	0	0	109.6	L69 A73 R87 V95 G96 Q97 I143 G144	L69-N160 HydrophobicContact CB-CB 4.01Å; L69-N160 HydrophobicContact CD2-CB 4.32Å; L69-N160 PolarHBondContact O-ND2 2.83Å; A73-N160 PolarHBondContact N-ND2 2.75Å; R87-N160 WeakPolarHBondContact CD-OD1 3.44Å; V95-N160 HydrophobicContact CG1-CB 3.87Å; G96-N160 CarbonylContact O-C 3.59Å; G96-N160 VanDerWaalsContact O-CA 3.28Å; G96-N160 WeakPolarHBondContact O-CA 3.43Å; Q97-N160 WeakPolarHBondContact CG-OD1 3.28Å; Q97-N160 PolarHBondContact NE2-OD1 3.25Å; I143-N160 WeakPolarHBondContact CA-O 3.4Å; G144-N160 PolarHBondContact N-O 2.99Å; G144-N160 PolarHBondContact O-N 3.32Å
161	Y	98.8	Very high	96.2	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.1	-170.8	-56.9	-92.3	0	0	0	111.2	H39 V95 G96 N98 Q134 T140 I143 C159 P163 G164	H39-Y161 AromaticContact CD2-CE1 3.69Å; H39-Y161 AromaticContact NE2-CE1 3.61Å; H39-Y161 AromaticContact NE2-CZ 3.6Å; H39-Y161 PolarHBondContact NE2-OH 2.94Å; V95-Y161 CarbonylContact C-O 3.57Å; V95-Y161 VanDerWaalsContact CA-O 3.29Å; V95-Y161 WeakPolarHBondContact CA-O 3.14Å; V95-Y161 WeakPolarHBondContact CG1-O 3.38Å; G96-Y161 PolarHBondContact N-O 3.28Å; G96-Y161 PolarHBondContact O-N 3.14Å; N98-Y161 HydrophobicContact CB-CE2 3.88Å; N98-Y161 PolarHBondContact ND2-OH 3.47Å; Q134-Y161 HydrophobicContact CG-CD1 4.3Å; Q134-Y161 HydrophobicContact CG-CD2 3.35Å; Q134-Y161 HydrophobicContact CG-CE1 4.49Å; Q134-Y161 HydrophobicContact CG-CE2 3.58Å; Q134-Y161 HydrophobicContact CG-CG 3.75Å; T140-Y161 HydrophobicContact CG2-CD1 4.19Å; I143-Y161 HydrophobicContact CD1-CD1 4.14Å; I143-Y161 HydrophobicContact CD1-CE1 3.62Å; I143-Y161 HydrophobicContact CG1-CD1 4.17Å; I143-Y161 HydrophobicContact CG1-CE1 4.1Å; C159-Y161 HydrophobicContact CB-CE1 4.46Å; C159-Y161 HydrophobicContact CB-CE2 3.83Å; C159-Y161 WeakPolarHBondContact CB-OH 3.47Å; C159-Y161 VanDerWaalsContact O-CE2 3.27Å; C159-Y161 WeakPolarHBondContact O-CE2 3.33Å; Y161-P163 CarbonylContact O-C 3.55Å; Y161-G164 WeakPolarHBondContact O-CA 3.2Å; Y161-G164 PolarHBondContact O-N 2.64Å
162	G	98.7	Very high	96.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.4	-177	0	0	0	0	0	113.1	F92 T141 D142	F92-G162 VanDerWaalsContact CD2-CA 3.5Å; T141-G162 PolarHBondContact N-O 2.86Å; T141-G162 PolarHBondContact OG1-O 3.36Å; D142-G162 WeakPolarHBondContact CB-O 3.36Å; D142-G162 PolarHBondContact N-O 3.42Å; D142-G162 PolarHBondContact O-N 3.1Å
163	P	98.5	Very high	97.2	Very high	41 Å²	41	41.9 Å²	41.9	27%	0.266	21%	0.208	S	C	.	.	S	Bend	cis	-56.9	151	-21.5	28.4	-36.1	0	0	0	111.2	F92 K139 T140 Y161	F92-P163 HydrophobicContact CD1-CB 4.27Å; K139-P163 WeakPolarHBondContact O-CD 3.37Å; K139-P163 VanDerWaalsContact O-CG 3.25Å; K139-P163 WeakPolarHBondContact O-CG 3.47Å; T140-P163 PolarHBondContact OG1-O 2.92Å; Y161-P163 CarbonylContact O-C 3.55Å
164	G	98.4	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-64.7	152.4	174.6	0	0	0	0	0	112.3	W94 Y161 W167	W94-G164 VanDerWaalsContact CD1-O 3.32Å; W94-G164 PolarHBondContact O-N 3.01Å; Y161-G164 WeakPolarHBondContact O-CA 3.2Å; Y161-G164 PolarHBondContact O-N 2.64Å; G164-W167 PolarHBondContact O-NE1 2.7Å
165	G	98.2	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.			trans	-95.7	-156.9	175.5	0	0	0	0	0	112.5	W94 Q134 W137 W167	W94-G165 PolarHBondContact NE1-O 3.26Å; Q134-G165 VanDerWaalsContact NE2-N 3.13Å; W137-G165 VanDerWaalsContact CE2-CA 3.43Å; G165-W167 VanDerWaalsContact C-N 3.31Å; G165-W167 PolarHBondContact O-N 3.11Å
166	N	98.1	Very high	97.9	Very high	50 Å²	50	42.5 Å²	42.5	27%	0.267	21%	0.21	S	C	.	.			trans	58.5	39.3	176.4	-59.1	-20.4	0	0	0	113.4	L130 T133 Q134	L130-N166 HydrophobicContact CD2-CB 4.5Å; L130-N166 PolarHBondContact O-ND2 3.37Å; T133-N166 WeakPolarHBondContact CB-OD1 3.04Å; T133-N166 PolarHBondContact OG1-OD1 3.45Å; Q134-N166 PolarHBondContact N-OD1 2.82Å
167	W	96.8	Very high	97.8	Very high	127 Å²	127	45.5 Å²	45.5	48%	0.481	23%	0.23	S	C	.	.			trans	-67.7	138.6	169.3	-72.7	90.1	0	0	0	110.4	W94 W137 G164 G165 N169 E170	W94-W167 HydrophobicContact CB-CZ2 3.94Å; W94-W167 AromaticContact CD1-NE1 3.83Å; W94-W167 HydrophobicContact CG-CZ2 4.23Å; W137-W167 HydrophobicContact CH2-CB 4.13Å; W137-W167 HydrophobicContact CZ2-CB 3.96Å; W137-W167 AromaticContact CZ2-CD1 3.67Å; W137-W167 HydrophobicContact CZ2-CG 4.22Å; G164-W167 PolarHBondContact O-NE1 2.7Å; G165-W167 VanDerWaalsContact C-N 3.31Å; G165-W167 PolarHBondContact O-N 3.11Å; W167-N169 PolarHBondContact O-N 2.89Å; W167-E170 HydrophobicContact CB-CB 4.04Å; W167-E170 HydrophobicContact CB-CG 4.09Å; W167-E170 PolarHBondContact O-N 3.36Å
168	N	93	Very high	97.5	Very high	146 Å²	146	52.1 Å²	52.1	78%	0.781	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	132.4	179.2	-71.4	-14.6	0	0	0	110.6	E170	N168-E170 PolarHBondContact O-N 2.78Å
169	N	94.1	Very high	97.2	Very high	160 Å²	160	57.2 Å²	57.2	86%	0.856	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	8.4	177.1	-53.3	-41.4	0	0	0	115.9	W167	W167-N169 PolarHBondContact O-N 2.89Å
170	E	97.6	Very high	97	Very high	72 Å²	72	61 Å²	61	34%	0.336	30%	0.297	S	S	.	.			trans	-95.1	148.6	170.3	-72.7	-168.4	-134.3	0	0	110.8	N124 W137 K139 W167 N168	N124-E170 PolarHBondContact ND2-O 2.85Å; N124-E170 PolarHBondContact OD1-O 3.18Å; W137-E170 HydrophobicContact CH2-CB 3.77Å; W137-E170 HydrophobicContact CZ2-CB 4.02Å; K139-E170 IonicContact NZ-OE2 2.64Å; K139-E170 PolarHBondContact NZ-OE2 3.34Å; W167-E170 HydrophobicContact CB-CB 4.04Å; W167-E170 HydrophobicContact CB-CG 4.09Å; W167-E170 PolarHBondContact O-N 3.36Å; N168-E170 PolarHBondContact O-N 2.78Å
171	K	98.5	Very high	96.6	Very high	84 Å²	84	61.5 Å²	61.5	37%	0.365	30%	0.301	S	S	.	.			trans	-91.8	151.5	171	-66.8	-170.6	177.1	71.8	0	109.4	Y121 N124 Y173	Y121-K171 HydrophobicContact CD1-CD 4.03Å; Y121-K171 HydrophobicContact CE1-CD 3.48Å; Y121-K171 VanDerWaalsContact CE1-CD 3.48Å; Y121-K171 HydrophobicContact CE2-CB 4.2Å; Y121-K171 HydrophobicContact CE2-CD 4.06Å; Y121-K171 VanDerWaalsContact CZ-CD 3.46Å; Y121-K171 WeakPolarHBondContact O-CE 3.46Å; N124-K171 HydrophobicContact CB-CG 4.13Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 3.32Å
172	P	98.5	Very high	96	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.026	32%	0.319	C	S	.	.	S	Bend	trans	-66.3	-26.5	-173.6	25	-33.9	0	0	0	114	Y119 T133 A136 W137 A138	Y119-P172 HydrophobicContact CE1-CG 4.05Å; Y119-P172 WeakPolarHBondContact OH-CD 3.36Å; T133-P172 HydrophobicContact CG2-CG 4.45Å; A136-P172 HydrophobicContact CB-CB 4.09Å; A136-P172 HydrophobicContact CB-CG 4.47Å; W137-P172 CarbonylContact C-O 3.45Å; W137-P172 WeakPolarHBondContact CA-O 3.41Å; W137-P172 VanDerWaalsContact CE3-CA 3.49Å; W137-P172 HydrophobicContact CE3-CB 3.74Å; W137-P172 HydrophobicContact CZ3-CB 4.14Å; A138-P172 PolarHBondContact N-O 3.27Å
173	Y	98.7	Very high	95.1	Very high	9 Å²	9	69.7 Å²	69.7	4%	0.035	35%	0.347	C	S	.	.	S	Bend	trans	-154.2	167.6	-178.3	54.2	-96.5	0	0	0	111.3	L46 P55 A57 M60 Y121 A136 K171 V175	L46-Y173 HydrophobicContact CD1-CE1 4.17Å; L46-Y173 HydrophobicContact CD2-CE1 4.24Å; P55-Y173 VanDerWaalsContact O-CE2 3.31Å; P55-Y173 WeakPolarHBondContact O-CE2 3.42Å; P55-Y173 PolarHBondContact O-OH 2.87Å; A57-Y173 HydrophobicContact CB-CD2 3.65Å; A57-Y173 HydrophobicContact CB-CE2 4.05Å; A57-Y173 HydrophobicContact CB-CG 3.98Å; M60-Y173 HydrophobicContact CE-CD1 3.5Å; M60-Y173 VanDerWaalsContact CE-CD1 3.5Å; M60-Y173 HydrophobicContact CE-CE1 4.25Å; M60-Y173 HydrophobicContact CE-CG 3.66Å; Y121-Y173 HydrophobicContact CD2-CE1 4.33Å; Y121-Y173 AromaticContact CD2-CE2 3.98Å; Y121-Y173 HydrophobicContact CD2-CE2 3.98Å; Y121-Y173 AromaticContact CD2-CZ 3.79Å; Y121-Y173 AromaticContact CE2-CD2 3.86Å; Y121-Y173 HydrophobicContact CE2-CD2 3.86Å; Y121-Y173 HydrophobicContact CE2-CE1 4.28Å; Y121-Y173 AromaticContact CE2-CE2 3.57Å; Y121-Y173 HydrophobicContact CE2-CE2 3.57Å; Y121-Y173 HydrophobicContact CE2-CG 4.36Å; Y121-Y173 AromaticContact CE2-CZ 3.8Å; Y121-Y173 PolarHBondContact OH-O 3.1Å; A136-Y173 HydrophobicContact CB-CD1 4.09Å; A136-Y173 HydrophobicContact CB-CE1 4.14Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 3.32Å; Y173-V175 HydrophobicContact CD2-CG2 4.36Å; Y173-V175 HydrophobicContact CE2-CG2 4Å
174	E	98.4	Very high	94	Very high	123 Å²	123	72.7 Å²	72.7	58%	0.575	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-86.9	146.6	168	-70.5	-178.7	-171.7	0	0	110.8	A57 K58	A57-E174 CarbonylContact C-O 3.5Å; A57-E174 WeakPolarHBondContact CA-O 3.28Å; K58-E174 HydrophobicContact CB-CB 4.19Å; K58-E174 WeakPolarHBondContact CB-O 3.43Å; K58-E174 HydrophobicContact CD-CB 4.26Å; K58-E174 WeakPolarHBondContact CD-OE2 3.38Å; K58-E174 PolarHBondContact N-O 3.29Å; K58-E174 IonicContact NZ-OE2 2.82Å; K58-E174 PolarHBondContact NZ-OE2 3.37Å
175	V	98.4	Very high	92.8	Very high	59 Å²	59	79.7 Å²	79.7	36%	0.358	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-94.4	142	-178.4	167.7	0	0	0	0	111.7	P55 P56 Y121 Y173	P55-V175 HydrophobicContact CB-CB 4.38Å; P55-V175 HydrophobicContact CB-CG1 3.76Å; P55-V175 HydrophobicContact CB-CG2 3.6Å; P55-V175 HydrophobicContact CG-CG2 3.49Å; P55-V175 VanDerWaalsContact CG-CG2 3.49Å; P56-V175 WeakPolarHBondContact O-CA 3.25Å; Y121-V175 HydrophobicContact CD1-CG2 4.18Å; Y121-V175 HydrophobicContact CE1-CG2 3.45Å; Y121-V175 VanDerWaalsContact CE1-CG2 3.45Å; Y121-V175 HydrophobicContact CE2-CG2 3.9Å; Y121-V175 WeakPolarHBondContact OH-CG2 3.36Å; Y173-V175 HydrophobicContact CD2-CG2 4.36Å; Y173-V175 HydrophobicContact CE2-CG2 4Å
176	K	97.2	Very high	91.4	Very high	15 Å²	15	85.8 Å²	85.8	7%	0.065	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-103.7	156.9	164	65.1	178.5	178.3	-178.6	0	111.6	V47 P56 A57 K58 M180	V47-K176 WeakPolarHBondContact O-CE 3.49Å; V47-K176 PolarHBondContact O-NZ 3.19Å; P56-K176 HydrophobicContact CB-CG 4.11Å; P56-K176 HydrophobicContact CG-CG 3.93Å; P56-K176 WeakPolarHBondContact CG-O 3.27Å; P56-K176 PolarHBondContact O-N 3.01Å; A57-K176 WeakPolarHBondContact O-CE 3.07Å; K58-K176 HydrophobicContact CB-CB 4.11Å; K176-M180 HydrophobicContact CB-SD 4.05Å; K176-M180 HydrophobicContact CD-CB 4.19Å
177	P	96.4	Very high	89.9	Confident	63 Å²	63	86.8 Å²	86.8	41%	0.409	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59.3	138.2	169.6	-25.1	35.1	0	0	0	112.5	H179 M180	P177-H179 VanDerWaalsContact C-N 3.26Å; P177-H179 WeakPolarHBondContact CB-CE1 2.96Å; P177-H179 WeakPolarHBondContact CB-ND1 3.06Å; P177-H179 PolarHBondContact O-N 3.37Å; P177-M180 HydrophobicContact CB-CG 4.44Å; P177-M180 HydrophobicContact CG-CE 4.11Å; P177-M180 WeakPolarHBondContact O-CB 3.45Å; P177-M180 PolarHBondContact O-N 3.28Å
178	R	93.1	Very high	88.4	Confident	139 Å²	139	85.1 Å²	85.1	53%	0.525	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.3	-177.5	-174.2	173.2	-72.5	-85.6	-1.2	113.6	Q54 M180 C181	Q54-R178 PolarHBondContact O-NH2 3.05Å; R178-M180 PolarHBondContact O-N 3.34Å; R178-M180 VanDerWaalsContact O-N 3.14Å; R178-C181 WeakPolarHBondContact O-CB 3.23Å; R178-C181 PolarHBondContact O-N 2.89Å
179	H	92.7	Very high	87	Confident	108 Å²	108	86.3 Å²	86.3	50%	0.5	44%	0.435	S	S	.	.	H	α-helix	trans	-62	-19.6	177	69.7	-103.1	0	0	0	113.3	P177 C181 S182	P177-H179 VanDerWaalsContact C-N 3.26Å; P177-H179 WeakPolarHBondContact CB-CE1 2.96Å; P177-H179 WeakPolarHBondContact CB-ND1 3.06Å; P177-H179 PolarHBondContact O-N 3.37Å; H179-C181 PolarHBondContact O-N 2.73Å; H179-S182 PolarHBondContact O-OG 2.01Å
180	M	93	Very high	85.3	Confident	79 Å²	79	85.2 Å²	85.2	39%	0.389	43%	0.429	S	S	.	.	H	α-helix	trans	-70	-19.6	175.5	-66	-172.9	174.6	0	0	112.8	K176 P177 R178 M184	K176-M180 HydrophobicContact CB-SD 4.05Å; K176-M180 HydrophobicContact CD-CB 4.19Å; P177-M180 HydrophobicContact CB-CG 4.44Å; P177-M180 HydrophobicContact CG-CE 4.11Å; P177-M180 WeakPolarHBondContact O-CB 3.45Å; P177-M180 PolarHBondContact O-N 3.28Å; R178-M180 PolarHBondContact O-N 3.34Å; R178-M180 VanDerWaalsContact O-N 3.14Å; M180-M184 PolarHBondContact O-N 2.98Å
181	C	91.2	Very high	83.4	Confident	11 Å²	11	84.6 Å²	84.6	7%	0.074	43%	0.432	C	S	.	.	H	α-helix	trans	-73.9	-36.9	179.1	-70.8	0	0	0	0	113	C49 R178 H179 M183	C49-C181 HydrophobicContact CB-CB 3.61Å; C49-C181 WeakPolarHBondContact CB-SG 3.42Å; C49-C181 WeakPolarHBondContact SG-CB 3.37Å; C49-C181 CovalentContact SG-SG 2.01Å; C49-C181 PolarHBondContact SG-SG 2.77Å; R178-C181 WeakPolarHBondContact O-CB 3.23Å; R178-C181 PolarHBondContact O-N 2.89Å; H179-C181 PolarHBondContact O-N 2.73Å; C181-M183 VanDerWaalsContact C-N 3.33Å
182	S	86.5	Confident	81.3	Confident	57 Å²	57	87 Å²	87	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-69.9	-33.2	174.3	52.5	0	0	0	0	111.7	H179 M184 Q185 N186	H179-S182 PolarHBondContact O-OG 2.01Å; S182-M184 PolarHBondContact O-N 2.81Å; S182-Q185 PolarHBondContact O-N 3.36Å; S182-N186 PolarHBondContact O-N 2.95Å; S182-N186 PolarHBondContact O-ND2 2.82Å; S182-N186 VanDerWaalsContact O-ND2 3.13Å
183	M	80.9	Confident	78.8	Confident	117 Å²	117	94.8 Å²	94.8	58%	0.576	49%	0.485	S	S	*	.	H	α-helix	trans	-60.3	-43.7	176.1	-69.6	179.9	173	0	0	112	C181 Q185 N186 I187	C181-M183 VanDerWaalsContact C-N 3.33Å; M183-Q185 VanDerWaalsContact C-N 3.32Å; M183-Q185 PolarHBondContact O-N 3.06Å; M183-N186 PolarHBondContact O-N 3.12Å; M183-I187 WeakPolarHBondContact O-CG1 3.4Å; M183-I187 PolarHBondContact O-N 3.05Å
184	M	74	Confident	75.7	Confident	103 Å²	103	99 Å²	99	51%	0.507	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-32.2	179.4	-69	179.1	68.7	0	0	113.4	M180 S182 N186	M180-M184 PolarHBondContact O-N 2.98Å; S182-M184 PolarHBondContact O-N 2.81Å; M184-N186 VanDerWaalsContact C-N 3.28Å; M184-N186 PolarHBondContact O-N 3.23Å
185	Q	72.9	Confident	72.6	Confident	148 Å²	148	101.3 Å²	101.3	69%	0.692	53%	0.528	S	S	*	.	H	α-helix	trans	-70.6	-26.3	177.1	-68.7	174.7	-17.8	0	0	112.5	S182 M183	S182-Q185 PolarHBondContact O-N 3.36Å; M183-Q185 VanDerWaalsContact C-N 3.32Å; M183-Q185 PolarHBondContact O-N 3.06Å
186	N	69.4	Low	69.7	Low	128 Å²	128	104.1 Å²	104.1	68%	0.684	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	0.2	-178.7	-66.6	-34.7	0	0	0	113.8	S182 M183 M184 P188	S182-N186 PolarHBondContact O-N 2.95Å; S182-N186 PolarHBondContact O-ND2 2.82Å; S182-N186 VanDerWaalsContact O-ND2 3.13Å; M183-N186 PolarHBondContact O-N 3.12Å; M184-N186 VanDerWaalsContact C-N 3.28Å; M184-N186 PolarHBondContact O-N 3.23Å; N186-P188 VanDerWaalsContact O-CD 3.24Å; N186-P188 WeakPolarHBondContact O-CD 3.41Å
187	I	67.4	Low	66.5	Low	71 Å²	71	107.2 Å²	107.2	36%	0.364	58%	0.579	S	S	.	*	S	Bend	trans	-71.8	115.8	173.9	-62.6	-178.6	0	0	0	107.6	M183 Q189 S191 L192	M183-I187 WeakPolarHBondContact O-CG1 3.4Å; M183-I187 PolarHBondContact O-N 3.05Å; I187-Q189 PolarHBondContact O-N 2.95Å; I187-S191 WeakPolarHBondContact CG2-OG 3.03Å; I187-L192 HydrophobicContact CG2-CG 4.2Å
188	P	63.6	Low	63.3	Low	92 Å²	92	111.9 Å²	111.9	60%	0.597	60%	0.595	S	S	*	*			trans	-57.4	131.9	174.7	-20.9	33.1	0	0	0	109.1	N186 N190 S191	N186-P188 VanDerWaalsContact O-CD 3.24Å; N186-P188 WeakPolarHBondContact O-CD 3.41Å; P188-N190 PolarHBondContact O-N 3.14Å; P188-S191 PolarHBondContact O-N 3.31Å; P188-S191 PolarHBondContact O-OG 3.13Å
189	Q	64.1	Low	60.2	Low	171 Å²	171	112 Å²	112	80%	0.799	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-53.5	-23.7	-175.3	-67.7	-163	-32.6	0	0	113.6	I187 S191	I187-Q189 PolarHBondContact O-N 2.95Å; Q189-S191 PolarHBondContact O-N 3.42Å
190	N	58.7	Low	57	Low	136 Å²	136	115.3 Å²	115.3	73%	0.727	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-73	-18.7	177.6	-66.4	-0.6	0	0	0	114.9	P188	P188-N190 PolarHBondContact O-N 3.14Å
191	S	57.9	Low	54.1	Low	59 Å²	59	120 Å²	120	41%	0.413	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-87.2	-9.2	-179.6	64.8	0	0	0	0	114	I187 P188 Q189 Q193	I187-S191 WeakPolarHBondContact CG2-OG 3.03Å; P188-S191 PolarHBondContact O-N 3.31Å; P188-S191 PolarHBondContact O-OG 3.13Å; Q189-S191 PolarHBondContact O-N 3.42Å; S191-Q193 VanDerWaalsContact C-N 3.3Å
192	L	54.4	Low	51	Low	136 Å²	136	123 Å²	123	71%	0.712	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-79.6	-11.6	172.2	-70.9	167.7	0	0	0	113	I187	I187-L192 HydrophobicContact CG2-CG 4.2Å
193	Q	45.3	Very low	48.2	Very low	166 Å²	166	129.5 Å²	129.5	78%	0.776	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-93.4	0.8	-177.1	-72.3	-171.9	-10.3	0	0	114.9	S191	S191-Q193 VanDerWaalsContact C-N 3.3Å
194	T	34.2	Very low	45.6	Very low	98 Å²	98	133.6 Å²	133.6	60%	0.601	72%	0.719	S	S	*	*			trans	-108.5	88.4	-179.6	58.2	0	0	0	0	111.4
195	N	32.8	Very low	43.4	Very low	171 Å²	171	134.4 Å²	134.4	91%	0.914	73%	0.732	S	S	*	*			trans	-159.7	53.9	146.1	-86.6	-29.5	0	0	0	108.9
196	S	37.4	Very low	41.2	Very low	119 Å²	119	135 Å²	135	83%	0.832	74%	0.738	S	S	*	*	S	Bend	trans	-134.6	48.4	163.9	-177.2	0	0	0	0	109.5
197	A	29.8	Very low	39.2	Very low	80 Å²	80	138.7 Å²	138.7	66%	0.661	75%	0.748	S	S	*	*	S	Bend	trans	-167	131.6	162.8	0	0	0	0	0	110.2
198	H	29.5	Very low	37.4	Very low	161 Å²	161	144.7 Å²	144.7	75%	0.745	77%	0.771	S	S	*	*			trans	70.4	92.3	167.2	-63.3	-69.1	0	0	0	119
199	T	28.3	Very low	35.7	Very low	141 Å²	141	145.5 Å²	145.5	87%	0.865	78%	0.78	S	S	*	*				-140.5	93.5	115.3	-25	0	0	0	0	109.4	H201	T199-H201 VanDerWaalsContact C-N 3.26Å; T199-H201 PolarHBondContact O-N 3.33Å; T199-H201 VanDerWaalsContact O-N 3.12Å
200	Q	26.3	Very low	33.8	Very low	178 Å²	178	145.9 Å²	145.9	83%	0.832	78%	0.781	S	S	*	*			trans	-70.4	90.4	154.9	-71.7	-175.3	-11.2	0	0	107
201	H	31.5	Very low	32.6	Very low	177 Å²	177	148.1 Å²	148.1	82%	0.819	79%	0.788	S	S	*	*			trans	-154.3	112.5	148	-127.6	-44.5	0	0	0	107.9	T199	T199-H201 VanDerWaalsContact C-N 3.26Å; T199-H201 PolarHBondContact O-N 3.33Å; T199-H201 VanDerWaalsContact O-N 3.12Å
202	G	25.8	Very low	31	Very low	75 Å²	75	156.2 Å²	156.2	77%	0.773	81%	0.809	S	S	*	*			trans	-61.1	138.3	-168.2	0	0	0	0	0	114.2
203	Q	28.7	Very low	30	Very low	192 Å²	192	156.5 Å²	156.5	90%	0.897	82%	0.816	S	S	*	*			trans	-120.6	123.6	148.8	-78.7	-177.9	-24.8	0	0	108.1
204	K	26.5	Very low	29.3	Very low	203 Å²	203	153 Å²	153	88%	0.883	81%	0.809	S	S	*	*			trans	-76.1	145.3	-172.5	-154.1	173.9	-174.2	178.7	0	109.9
205	P	27.4	Very low	29	Very low	120 Å²	120	158.9 Å²	158.9	78%	0.779	82%	0.821	S	S	*	*			trans	-68.1	139	-169.4	-19.9	32.2	0	0	0	114.5	K207	P205-K207 PolarHBondContact O-N 3.45Å
206	I	27	Very low	28.9	Very low	162 Å²	162	159.1 Å²	159.1	83%	0.831	82%	0.822	S	S	*	*			trans	-71.8	112.1	170.8	-62.3	172	0	0	0	108.6	K208	I206-K208 PolarHBondContact O-N 3.41Å
207	K	26	Very low	28.3	Very low	205 Å²	205	161.2 Å²	161.2	89%	0.891	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.2	117.6	168.5	-70.8	-177.5	176.7	-175.3	0	109	P205	P205-K207 PolarHBondContact O-N 3.45Å
208	K	30.6	Very low	28.2	Very low	196 Å²	196	165.3 Å²	165.3	85%	0.852	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-99.5	125.4	158.5	-102	-176	176.9	-178.6	0	108.8	I206	I206-K208 PolarHBondContact O-N 3.41Å
209	S	27.4	Very low	28.1	Very low	110 Å²	110	168.5 Å²	168.5	77%	0.769	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-57.7	138.8	-176.9	44.9	0	0	0	0	113.1
210	E	25.2	Very low	28.1	Very low	178 Å²	178	164.3 Å²	164.3	83%	0.832	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66	119.8	165.4	-60.7	171.7	153.9	0	0	109.4
211	E	32.3	Very low	28.6	Very low	184 Å²	184	167.7 Å²	167.7	86%	0.86	82%	0.823	S	S	*	*			trans	-110.5	103.1	159.9	-107.6	176.7	169.4	0	0	108.6	V213	E211-V213 PolarHBondContact O-N 3.22Å
212	R	25.2	Very low	28.6	Very low	229 Å²	229	170 Å²	170	86%	0.864	83%	0.825	S	S	*	*			trans	-69.7	116.6	162.7	-74.1	176.7	-171.9	173.9	3.3	107.8
213	V	32.3	Very low	29.2	Very low	142 Å²	142	174.4 Å²	174.4	86%	0.861	83%	0.829	S	S	*	*			trans	-121.5	129.8	151.3	178.8	0	0	0	0	108.9	E211	E211-V213 PolarHBondContact O-N 3.22Å
214	S	30.8	Very low	29.5	Very low	91 Å²	91	175.5 Å²	175.5	64%	0.636	83%	0.825	S	S	*	*			trans	-77.4	151.1	-161.5	177	0	0	0	0	113.8
215	R	27.8	Very low	29.6	Very low	223 Å²	223	172.2 Å²	172.2	84%	0.842	82%	0.817	S	S	*	*			trans	-2.3	123.9	150.2	-69.2	174.5	-93.9	-170.8	-8.4	115.8
216	N	30.8	Very low	30.1	Very low	176 Å²	176	174.1 Å²	174.1	94%	0.941	82%	0.82	S	S	*	*				-142	134.9	129.4	-95	-27.3	0	0	0	111.2
217	M	26	Very low	30.6	Very low	162 Å²	162	176.6 Å²	176.6	80%	0.798	82%	0.819	S	S	*	*			trans	-87.2	155.8	-169.4	-126	158.6	162.8	0	0	110.8
218	Q	27.7	Very low	31.1	Very low	167 Å²	167	172.4 Å²	172.4	78%	0.78	81%	0.81	S	S	*	*			trans	59	121.4	152.3	-80.6	164.3	-58.5	0	0	119.4
219	Y	26.9	Very low	31.5	Very low	227 Å²	227	172.7 Å²	172.7	89%	0.89	81%	0.807	S	S	*	*				174.3	145.5	90.9	-173.3	-105.9	0	0	0	109.7
220	G	27.5	Very low	32.3	Very low	53 Å²	53	172 Å²	172	55%	0.546	80%	0.8	S	S	.	*			trans	-80.7	169.5	-159	0	0	0	0	0	117
221	R	38	Very low	33	Very low	249 Å²	249	172 Å²	172	94%	0.94	80%	0.797	S	S	*	*			trans	-157.4	135	130.9	-128.1	179.9	-80.3	-179.8	-4.8	111.9
222	R	30.6	Very low	34.1	Very low	225 Å²	225	166.2 Å²	166.2	85%	0.849	78%	0.776	S	S	*	*			trans	-57.9	130.7	178.2	-74.8	174.4	-110	-160.3	-5.2	111.9
223	I	38.5	Very low	34.6	Very low	168 Å²	168	166.8 Å²	166.8	86%	0.862	78%	0.779	S	S	*	*			trans	-122.7	124.3	146.2	-62.6	-72.1	0	0	0	106.9
224	R	34.1	Very low	35.3	Very low	215 Å²	215	169 Å²	169	81%	0.811	79%	0.786	S	S	*	*			trans	-71.2	130.4	-175.8	-68.4	174.1	177.7	162.3	-2	110.5
225	D	30.4	Very low	35.5	Very low	135 Å²	135	173 Å²	173	72%	0.722	79%	0.793	S	S	*	*			trans	26.7	98.5	139.3	-162.9	4.2	0	0	0	117.9	R227	D225-R227 PolarHBondContact OD1-N 3.49Å; D225-R227 VanDerWaalsContact OD1-N 3.12Å
226	L	36.7	Very low	35.9	Very low	159 Å²	159	170.3 Å²	170.3	83%	0.832	79%	0.791	S	S	*	*			trans	-127.4	86	145.8	-75.9	174.7	0	0	0	106.8	V228	L226-V228 VanDerWaalsContact C-N 3.33Å; L226-V228 PolarHBondContact O-N 3.3Å
227	R	37.4	Very low	36.2	Very low	215 Å²	215	170 Å²	170	81%	0.811	78%	0.782	S	S	*	*			trans	18.2	71.8	156.9	-74.1	-178	-79.5	-167.4	-5.6	113.7	D225 Y229	D225-R227 PolarHBondContact OD1-N 3.49Å; D225-R227 VanDerWaalsContact OD1-N 3.12Å; R227-Y229 PolarHBondContact O-N 3.42Å; R227-Y229 VanDerWaalsContact O-N 3.13Å
228	V	38	Very low	36.8	Very low	117 Å²	117	170.5 Å²	170.5	71%	0.709	78%	0.781	S	S	*	*			trans	-76.2	100.5	169.1	178.2	0	0	0	0	104.7	L226	L226-V228 VanDerWaalsContact C-N 3.33Å; L226-V228 PolarHBondContact O-N 3.3Å
229	Y	38	Very low	37.3	Very low	202 Å²	202	170.7 Å²	170.7	79%	0.792	78%	0.781	S	S	*	*			trans	-53.3	130.3	163	-83	-87	0	0	0	107.5	R227 K231	R227-Y229 PolarHBondContact O-N 3.42Å; R227-Y229 VanDerWaalsContact O-N 3.13Å; Y229-K231 PolarHBondContact O-N 3.5Å
230	P	43.8	Very low	38	Very low	96 Å²	96	166.9 Å²	166.9	62%	0.623	77%	0.774	S	S	*	*			trans	-56.9	126.2	-174	20.6	-30.5	0	0	0	109.5	C232	P230-C232 PolarHBondContact O-N 3.01Å
231	K	40.8	Very low	38.8	Very low	177 Å²	177	175.1 Å²	175.1	77%	0.77	79%	0.791	S	S	*	*			trans	-60.6	102.9	176.7	-70.7	178.7	176.6	177.9	0	108.9	Y229 R233	Y229-K231 PolarHBondContact O-N 3.5Å; K231-R233 PolarHBondContact O-N 2.86Å
232	C	54.2	Low	38.8	Very low	63 Å²	63	169.4 Å²	169.4	43%	0.426	78%	0.779	S	S	.	*			trans	-68.3	113.5	157.8	-42.7	0	0	0	0	104.8	C24 P230	C24-C232 HydrophobicContact CB-CB 4.32Å; C24-C232 WeakPolarHBondContact CB-SG 3.06Å; C24-C232 WeakPolarHBondContact SG-CB 3.24Å; C24-C232 CovalentContact SG-SG 2.12Å; C24-C232 PolarHBondContact SG-SG 2.89Å; P230-C232 PolarHBondContact O-N 3.01Å
233	R	35.8	Very low	39.5	Very low	241 Å²	241	164.8 Å²	164.8	91%	0.909	77%	0.773	S	S	*	*			trans	-91.2	127.3	-177.2	-160.5	-178.4	-164.4	-179.8	2.9	108.3	K231	K231-R233 PolarHBondContact O-N 2.86Å
234	D	46.8	Very low	39.6	Very low	189 Å²	189	164.5 Å²	164.5	100%	1.011	77%	0.765	S	S	*	*			trans	-63	0	168.6	-61.9	-38.7	0	0	0	111.8

Retrieved 234 of 234 residues in 146 ms (Link to these results)

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