G4VT80_SCHMA Loading...

Putative ammecr1 homolog

AlphaFold DB , UniProt , Accession G4VT80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 233 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	36.6	Very low	38.8	Very low	249 Å²	249	146.5 Å²	146.5	100%	1.227	81%	0.805	S	S	*	*				0	103.8	0	-72.4	176.5	178.9	0	0	108.2
2	A	35.5	Very low	38.3	Very low	94 Å²	94	140.7 Å²	140.7	78%	0.777	80%	0.804	S	S	*	*			trans	-160.1	137.1	172.8	0	0	0	0	0	112
3	R	36.6	Very low	38.1	Very low	240 Å²	240	135.5 Å²	135.5	91%	0.906	79%	0.789	S	S	*	*			trans	88.7	87.3	157.3	-60.9	-175.5	179.4	-169.9	-0.7	119
4	S	36.1	Very low	37.7	Very low	120 Å²	120	140.4 Å²	140.4	84%	0.839	80%	0.796	S	S	*	*				9.3	116.3	121.4	-171.5	0	0	0	0	116.5
5	R	37.8	Very low	37.3	Very low	244 Å²	244	144.7 Å²	144.7	92%	0.921	80%	0.802	S	S	*	*			trans	-86.6	115.2	162	-105.2	176.5	161	-177.7	-5.5	108.2
6	A	39.8	Very low	36.9	Very low	86 Å²	86	146.6 Å²	146.6	71%	0.711	80%	0.803	S	S	*	*			trans	-67.2	145.6	167.4	0	0	0	0	0	110.4
7	P	41.6	Very low	36.3	Very low	123 Å²	123	151.1 Å²	151.1	80%	0.799	81%	0.805	S	S	*	*			trans	-71.8	130.7	176.1	26.9	-30.9	0	0	0	110.9	S9	P7-S9 PolarHBondContact O-N 2.93Å
8	S	45.9	Very low	36.1	Very low	106 Å²	106	149.5 Å²	149.5	74%	0.741	80%	0.796	S	S	*	*			trans	-58.7	110.7	172.1	45.5	0	0	0	0	110.4
9	S	40.3	Very low	35.8	Very low	81 Å²	81	149.1 Å²	149.1	57%	0.566	79%	0.794	S	S	*	*			trans	-83	129	175.3	56.6	0	0	0	0	110.2	P7 F11	P7-S9 PolarHBondContact O-N 2.93Å; S9-F11 VanDerWaalsContact CB-CD2 3.43Å; S9-F11 PolarHBondContact O-N 3.28Å; S9-F11 VanDerWaalsContact OG-CD2 3.24Å; S9-F11 WeakPolarHBondContact OG-CD2 3.41Å
10	C	41.7	Very low	35.3	Very low	81 Å²	81	151.2 Å²	151.2	55%	0.547	80%	0.799	S	S	.	*			trans	-75.9	67	171	-66.7	0	0	0	0	109.6
11	F	35.2	Very low	34.8	Very low	187 Å²	187	152.7 Å²	152.7	82%	0.82	80%	0.802	S	S	*	*			trans	-95.7	114.7	168.9	-77.4	-72.3	0	0	0	109.4	S9	S9-F11 VanDerWaalsContact CB-CD2 3.43Å; S9-F11 PolarHBondContact O-N 3.28Å; S9-F11 VanDerWaalsContact OG-CD2 3.24Å; S9-F11 WeakPolarHBondContact OG-CD2 3.41Å
12	G	32.3	Very low	34.5	Very low	77 Å²	77	146.4 Å²	146.4	79%	0.794	78%	0.782	S	S	*	*			trans	152.2	39.8	169	0	0	0	0	0	116.6	K14	G12-K14 PolarHBondContact O-N 3.22Å
13	A	35.8	Very low	34.4	Very low	73 Å²	73	148.4 Å²	148.4	60%	0.603	79%	0.785	S	S	*	*			trans	-82.9	93.7	168.6	0	0	0	0	0	109.6	K15 N180	A13-K15 PolarHBondContact O-N 3.32Å; A13-N180 HydrophobicContact CB-CB 4.13Å
14	K	32.5	Very low	34.5	Very low	204 Å²	204	142.5 Å²	142.5	89%	0.887	78%	0.781	S	S	*	*			trans	-63.5	114.1	160.8	-93.8	-179.4	175.7	177.4	0	107.3	G12 Q16	G12-K14 PolarHBondContact O-N 3.22Å; K14-Q16 PolarHBondContact O-N 3.22Å
15	K	32.2	Very low	34.1	Very low	205 Å²	205	145 Å²	145	89%	0.891	78%	0.779	S	S	*	*			trans	-53.8	104.3	171.7	-171.5	173.4	-177.6	176.1	0	108.6	A13 R17	A13-K15 PolarHBondContact O-N 3.32Å; K15-R17 PolarHBondContact O-N 2.97Å; K15-R17 VanDerWaalsContact O-N 3.09Å
16	Q	30	Very low	33.9	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	77%	0.772	S	S	*	*			trans	-66.2	109.3	169.7	-107.8	-179.3	-41.6	0	0	107.2	K14 L18	K14-Q16 PolarHBondContact O-N 3.22Å; Q16-L18 PolarHBondContact O-N 3.49Å
17	R	27.2	Very low	33.6	Very low	224 Å²	224	146 Å²	146	85%	0.845	78%	0.78	S	S	*	*			trans	-74	108.9	169.9	-161.8	177.6	-174.1	179.1	-0.5	106	K15	K15-R17 PolarHBondContact O-N 2.97Å; K15-R17 VanDerWaalsContact O-N 3.09Å
18	L	33	Very low	32.9	Very low	122 Å²	122	146.9 Å²	146.9	64%	0.639	78%	0.782	S	S	*	*			trans	-91.3	120.8	165.1	-87.1	156.1	0	0	0	106.1	Q16 E20	Q16-L18 PolarHBondContact O-N 3.49Å; L18-E20 PolarHBondContact O-N 3.01Å
19	D	29.5	Very low	32.3	Very low	141 Å²	141	145.3 Å²	145.3	75%	0.754	77%	0.772	S	S	*	*			trans	-60.5	124.7	179.4	-64	-49.2	0	0	0	110.2	E21	D19-E21 PolarHBondContact O-N 3.36Å
20	E	26.4	Very low	32.5	Very low	192 Å²	192	153.4 Å²	153.4	90%	0.897	79%	0.79	S	S	*	*			trans	-71.7	88.1	172.3	-72.8	177.4	134.4	0	0	108.9	L18	L18-E20 PolarHBondContact O-N 3.01Å
21	E	25.3	Very low	32.2	Very low	182 Å²	182	155.5 Å²	155.5	85%	0.85	80%	0.796	S	S	*	*			trans	-164	92.3	161	-114.8	170.2	-164	0	0	110.3	D19	D19-E21 PolarHBondContact O-N 3.36Å
22	S	30.2	Very low	32	Very low	118 Å²	118	150.7 Å²	150.7	83%	0.825	80%	0.799	S	S	*	*			trans	-168	84.5	148.5	13.4	0	0	0	0	110.3	S24	S22-S24 PolarHBondContact O-N 3.13Å
23	T	33.4	Very low	32.3	Very low	136 Å²	136	153.9 Å²	153.9	83%	0.834	80%	0.797	S	S	*	*			trans	-43.3	123.5	144.4	-57.2	0	0	0	0	108.1	Q25	T23-Q25 PolarHBondContact O-N 3.49Å
24	S	37.9	Very low	32.4	Very low	116 Å²	116	154.1 Å²	154.1	81%	0.811	80%	0.795	S	S	*	*			trans	-60.9	91.8	-175	54.4	0	0	0	0	111.6	S22	S22-S24 PolarHBondContact O-N 3.13Å
25	Q	28.7	Very low	33.2	Very low	172 Å²	172	149.6 Å²	149.6	80%	0.804	78%	0.784	S	S	*	*			trans	-87.6	139.4	152.8	-71.4	-166	-4.7	0	0	108.7	T23 R27	T23-Q25 PolarHBondContact O-N 3.49Å; Q25-R27 PolarHBondContact O-N 2.96Å
26	P	32.5	Very low	34.7	Very low	120 Å²	120	147.4 Å²	147.4	78%	0.779	78%	0.777	S	S	*	*			trans	-64.5	127.3	-176.4	24.8	-30.8	0	0	0	110.3	V28	P26-V28 PolarHBondContact O-N 3.28Å; P26-V28 VanDerWaalsContact O-N 3.13Å
27	R	34.2	Very low	37.1	Very low	232 Å²	232	140.7 Å²	140.7	88%	0.875	75%	0.754	S	S	*	*			trans	-65	108.9	175	-76.6	-177.7	168.6	-175.1	-3.2	109.5	Q25 S29	Q25-R27 PolarHBondContact O-N 2.96Å; R27-S29 PolarHBondContact O-N 2.99Å
28	V	26.7	Very low	40	Very low	140 Å²	140	131.7 Å²	131.7	85%	0.848	72%	0.724	S	S	*	*			trans	-76	103.6	168.5	-176.8	0	0	0	0	107.9	P26	P26-V28 PolarHBondContact O-N 3.28Å; P26-V28 VanDerWaalsContact O-N 3.13Å
29	S	34.5	Very low	42.9	Very low	74 Å²	74	127 Å²	127	52%	0.517	70%	0.7	S	S	.	*			trans	-74.1	143.4	165.8	-172.1	0	0	0	0	109.5	R27 N31	R27-S29 PolarHBondContact O-N 2.99Å; S29-N31 CarbonylContact O-C 3.55Å; S29-N31 PolarHBondContact O-N 3.46Å
30	R	44.4	Very low	46	Very low	250 Å²	250	125.4 Å²	125.4	94%	0.943	68%	0.684	S	S	*	*	S	Bend	trans	-61	-7.3	-174.1	-105.3	179.5	170.1	178.4	-3.6	115.6
31	N	34.9	Very low	49.4	Very low	125 Å²	125	123.2 Å²	123.2	67%	0.668	67%	0.667	S	S	*	*	S	Bend	trans	-116.8	116	165.7	-70.2	-6.7	0	0	0	106.4	S29 L33	S29-N31 CarbonylContact O-C 3.55Å; S29-N31 PolarHBondContact O-N 3.46Å; N31-L33 PolarHBondContact O-N 3.5Å
32	G	31.4	Very low	52.8	Low	87 Å²	87	117.4 Å²	117.4	90%	0.897	64%	0.641	S	S	*	*			trans	-61.1	33	-169.6	0	0	0	0	0	117.8	S34	G32-S34 PolarHBondContact O-N 3.23Å
33	L	38.3	Very low	56	Low	143 Å²	143	111.8 Å²	111.8	75%	0.749	60%	0.601	S	S	*	*			trans	-72.8	99.5	158.8	-71.9	147.7	0	0	0	106.9	N31 T35	N31-L33 PolarHBondContact O-N 3.5Å; L33-T35 PolarHBondContact O-N 2.68Å
34	S	38	Very low	59.1	Low	79 Å²	79	105.3 Å²	105.3	55%	0.552	56%	0.561	S	S	*	*			trans	-45.2	111.4	161.2	52.1	0	0	0	0	108.2	G32 H36	G32-S34 PolarHBondContact O-N 3.23Å; S34-H36 WeakPolarHBondContact CB-CD2 3.38Å; S34-H36 WeakPolarHBondContact CB-NE2 3.44Å; S34-H36 PolarHBondContact O-N 2.94Å; S34-H36 PolarHBondContact OG-CD2 2.95Å; S34-H36 PolarHBondContact OG-NE2 3.24Å
35	T	47.9	Very low	62	Low	109 Å²	109	100.8 Å²	100.8	67%	0.669	53%	0.527	S	S	*	.			trans	-72.6	67.7	168.8	58.2	0	0	0	0	106.9	L33 G37	L33-T35 PolarHBondContact O-N 2.68Å; T35-G37 PolarHBondContact O-N 3.13Å
36	H	64.3	Low	65.3	Low	158 Å²	158	92.6 Å²	92.6	73%	0.731	49%	0.489	S	S	*	.			trans	-64.3	112.7	169.2	-75.8	-62.2	0	0	0	105.5	S34	S34-H36 WeakPolarHBondContact CB-CD2 3.38Å; S34-H36 WeakPolarHBondContact CB-NE2 3.44Å; S34-H36 PolarHBondContact O-N 2.94Å; S34-H36 PolarHBondContact OG-CD2 2.95Å; S34-H36 PolarHBondContact OG-NE2 3.24Å
37	G	79.7	Confident	68.5	Low	34 Å²	34	86.9 Å²	86.9	35%	0.351	45%	0.451	S	S	.	.			trans	-50.4	147.1	169.9	0	0	0	0	0	109.8	T35 V39 E214	T35-G37 PolarHBondContact O-N 3.13Å; G37-V39 PolarHBondContact O-N 2.91Å; G37-E214 VanDerWaalsContact C-OE2 3.22Å; G37-E214 WeakPolarHBondContact CA-OE2 3.31Å
38	V	88.4	Confident	71.5	Confident	36 Å²	36	75.9 Å²	75.9	22%	0.218	41%	0.41	C	S	.	.	S	Bend	trans	-60.2	-37.8	173	-176.5	0	0	0	0	110	M43 Y72 L133 E214	V38-M43 WeakPolarHBondContact O-CE 3.29Å; V38-Y72 HydrophobicContact CG1-CD2 4.31Å; V38-Y72 HydrophobicContact CG1-CE1 4.43Å; V38-Y72 HydrophobicContact CG1-CE2 3.51Å; V38-L133 HydrophobicContact CB-CD1 4.2Å; V38-L133 HydrophobicContact CG1-CD1 3.58Å; V38-E214 PolarHBondContact N-OE2 2.98Å
39	V	94.6	Very high	74.9	Confident	22 Å²	22	69.8 Å²	69.8	13%	0.133	37%	0.373	C	S	.	.			trans	-75	129	-178.6	-171.2	0	0	0	0	111.2	G37 M43 V131 L133 E214 C216	G37-V39 PolarHBondContact O-N 2.91Å; V39-M43 HydrophobicContact CB-SD 4.42Å; V39-M43 HydrophobicContact CG1-SD 4.01Å; V39-V131 HydrophobicContact CG1-CB 4.45Å; V39-V131 HydrophobicContact CG1-CG1 4.29Å; V39-L133 HydrophobicContact CG2-CB 3.93Å; V39-L133 HydrophobicContact CG2-CD1 3.7Å; V39-L133 HydrophobicContact CG2-CG 3.61Å; V39-E214 HydrophobicContact CB-CB 4.31Å; V39-E214 HydrophobicContact CG2-CB 3.52Å; V39-E214 WeakPolarHBondContact CG2-O 3.49Å; V39-E214 PolarHBondContact N-OE2 2.76Å; V39-C216 HydrophobicContact CB-CB 4.39Å; V39-C216 HydrophobicContact CG1-CB 3.34Å
40	R	95.2	Very high	78	Confident	109 Å²	109	66.6 Å²	66.6	41%	0.411	35%	0.35	S	S	.	.			trans	-120	153.7	179.1	-54.5	-170	-179.7	169.8	-2.5	111.4	E42 M43 T66 F67	R40-E42 VanDerWaalsContact CB-OE2 3.29Å; R40-E42 WeakPolarHBondContact CB-OE2 3.26Å; R40-E42 PolarHBondContact O-N 2.86Å; R40-M43 HydrophobicContact CB-CG 4.48Å; R40-M43 VanDerWaalsContact O-CB 3.25Å; R40-M43 WeakPolarHBondContact O-CB 3.14Å; R40-M43 PolarHBondContact O-N 2.91Å; R40-T66 PolarHBondContact NH1-O 3.16Å; R40-F67 HydrophobicContact CG-CB 4.5Å
41	R	96.6	Very high	80.6	Confident	145 Å²	145	54.7 Å²	54.7	55%	0.547	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-33.3	177.5	-78.6	-178.1	-81.9	-165.2	-5.1	112.1	M43 C44 Y45 C216 V218	R41-M43 PolarHBondContact O-N 3.32Å; R41-C44 WeakPolarHBondContact O-CA 3.32Å; R41-C44 WeakPolarHBondContact O-CB 3.44Å; R41-C44 PolarHBondContact O-N 2.82Å; R41-Y45 HydrophobicContact CB-CE2 4.44Å; R41-Y45 PolarHBondContact O-N 3.06Å; R41-C216 VanDerWaalsContact CG-SG 3.56Å; R41-V218 HydrophobicContact CB-CG2 4.23Å; R41-V218 HydrophobicContact CG-CG2 4.09Å
42	E	96.7	Very high	83.6	Confident	61 Å²	61	50.5 Å²	50.5	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-22.7	177.7	-62.3	80.4	-177.6	0	0	112.4	R40 Y45 F46 F67 Y231	R40-E42 VanDerWaalsContact CB-OE2 3.29Å; R40-E42 WeakPolarHBondContact CB-OE2 3.26Å; R40-E42 PolarHBondContact O-N 2.86Å; E42-Y45 HydrophobicContact CG-CD2 4.25Å; E42-Y45 PolarHBondContact O-N 3.43Å; E42-F46 WeakPolarHBondContact O-CB 3.45Å; E42-F46 PolarHBondContact O-N 3.32Å; E42-F67 HydrophobicContact CB-CD1 3.89Å; E42-F67 HydrophobicContact CB-CE1 4.43Å; E42-F67 WeakPolarHBondContact O-CE1 3.25Å; E42-Y231 HydrophobicContact CB-CE2 4.47Å; E42-Y231 HydrophobicContact CG-CE2 4.23Å
43	M	98	Very high	86.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-42.2	170	-63.4	178.4	178.5	0	0	111.3	V38 V39 R40 R41 F46 C47 F67 I98 L102 V131 L133	V38-M43 WeakPolarHBondContact O-CE 3.29Å; V39-M43 HydrophobicContact CB-SD 4.42Å; V39-M43 HydrophobicContact CG1-SD 4.01Å; R40-M43 HydrophobicContact CB-CG 4.48Å; R40-M43 VanDerWaalsContact O-CB 3.25Å; R40-M43 WeakPolarHBondContact O-CB 3.14Å; R40-M43 PolarHBondContact O-N 2.91Å; R41-M43 PolarHBondContact O-N 3.32Å; M43-F46 PolarHBondContact O-N 3.07Å; M43-C47 PolarHBondContact O-N 3.25Å; M43-C47 VanDerWaalsContact O-N 3.08Å; M43-C47 PolarHBondContact O-SG 3.09Å; M43-C47 VanDerWaalsContact O-SG 3.34Å; M43-F67 HydrophobicContact CB-CZ 4.48Å; M43-F67 HydrophobicContact CE-CB 4.27Å; M43-F67 HydrophobicContact CE-CD2 4.01Å; M43-F67 HydrophobicContact CE-CG 4.35Å; M43-F67 HydrophobicContact CG-CB 4.5Å; M43-F67 HydrophobicContact CG-CD1 4.08Å; M43-F67 HydrophobicContact CG-CD2 3.88Å; M43-F67 HydrophobicContact CG-CE1 4.16Å; M43-F67 HydrophobicContact CG-CE2 3.95Å; M43-F67 HydrophobicContact CG-CG 3.93Å; M43-F67 HydrophobicContact CG-CZ 4.07Å; M43-I98 HydrophobicContact CE-CD1 3.8Å; M43-L102 HydrophobicContact CB-CD1 3.68Å; M43-L102 HydrophobicContact CG-CD1 3.89Å; M43-L102 HydrophobicContact SD-CD1 4.44Å; M43-V131 HydrophobicContact CB-CB 4.41Å; M43-V131 HydrophobicContact CB-CG1 4.26Å; M43-V131 HydrophobicContact CB-CG2 4.15Å; M43-V131 HydrophobicContact SD-CG1 4.23Å; M43-L133 HydrophobicContact CE-CD1 4.34Å; M43-L133 HydrophobicContact SD-CD1 4.39Å
44	C	98.5	Very high	89.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-40.3	175.1	-58.8	0	0	0	0	111.2	R41 F46 C47 F48 C129 C216 V218	R41-C44 WeakPolarHBondContact O-CA 3.32Å; R41-C44 WeakPolarHBondContact O-CB 3.44Å; R41-C44 PolarHBondContact O-N 2.82Å; C44-F46 VanDerWaalsContact C-N 3.33Å; C44-F46 PolarHBondContact O-N 3.31Å; C44-C47 WeakPolarHBondContact O-CB 2.85Å; C44-C47 PolarHBondContact O-N 3.46Å; C44-F48 VanDerWaalsContact O-CD2 3.26Å; C44-F48 WeakPolarHBondContact O-CD2 3.49Å; C44-F48 PolarHBondContact O-N 3.48Å; C44-C129 HydrophobicContact CB-CB 4.24Å; C44-C216 PolarHBondContact SG-O 2.91Å; C44-V218 HydrophobicContact CB-CB 3.69Å; C44-V218 HydrophobicContact CB-CG2 3.65Å
45	Y	98.4	Very high	92.5	Very high	21 Å²	21	42 Å²	42	8%	0.082	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-43.8	174.3	-59.9	-22.2	0	0	0	111.5	R41 E42 C47 F48 D49 V218 E222 Y223 A226 Y231	R41-Y45 HydrophobicContact CB-CE2 4.44Å; R41-Y45 PolarHBondContact O-N 3.06Å; E42-Y45 HydrophobicContact CG-CD2 4.25Å; E42-Y45 PolarHBondContact O-N 3.43Å; Y45-C47 VanDerWaalsContact C-N 3.34Å; Y45-C47 PolarHBondContact O-N 2.88Å; Y45-F48 CarbonylContact O-C 3.39Å; Y45-F48 WeakPolarHBondContact O-CA 3.4Å; Y45-F48 WeakPolarHBondContact O-CB 3.39Å; Y45-F48 PolarHBondContact O-N 3.29Å; Y45-D49 PolarHBondContact O-N 2.9Å; Y45-V218 HydrophobicContact CD1-CG1 3.82Å; Y45-V218 HydrophobicContact CE1-CB 4.41Å; Y45-V218 HydrophobicContact CE1-CG1 3.47Å; Y45-V218 VanDerWaalsContact CE1-CG1 3.47Å; Y45-V218 HydrophobicContact CE1-CG2 4.1Å; Y45-E222 HydrophobicContact CE1-CG 4.48Å; Y45-E222 PolarHBondContact OH-OE1 3.47Å; Y45-Y223 HydrophobicContact CD1-CD2 4.08Å; Y45-Y223 HydrophobicContact CD1-CG 4.49Å; Y45-Y223 HydrophobicContact CG-CD2 4.32Å; Y45-A226 HydrophobicContact CE1-CB 4.4Å; Y45-A226 HydrophobicContact CE2-CB 3.96Å; Y45-Y231 WeakPolarHBondContact CB-OH 3.39Å; Y45-Y231 HydrophobicContact CD2-CD1 4.25Å; Y45-Y231 AromaticContact CD2-CD2 3.81Å; Y45-Y231 HydrophobicContact CD2-CD2 3.81Å; Y45-Y231 HydrophobicContact CD2-CE1 4.19Å; Y45-Y231 AromaticContact CD2-CE2 3.71Å; Y45-Y231 HydrophobicContact CD2-CE2 3.71Å; Y45-Y231 HydrophobicContact CD2-CG 4.09Å; Y45-Y231 AromaticContact CD2-CZ 3.92Å; Y45-Y231 HydrophobicContact CE2-CD2 4.47Å; Y45-Y231 HydrophobicContact CG-CE1 4.2Å; Y45-Y231 HydrophobicContact CG-CE2 4.37Å
46	F	98.5	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-40.2	174.7	178.3	-110.7	0	0	0	112.4	E42 M43 C44 F48 D49 V50 P61 P62 P64 F67 H99 L102 R103 V233	E42-F46 WeakPolarHBondContact O-CB 3.45Å; E42-F46 PolarHBondContact O-N 3.32Å; M43-F46 PolarHBondContact O-N 3.07Å; C44-F46 VanDerWaalsContact C-N 3.33Å; C44-F46 PolarHBondContact O-N 3.31Å; F46-F48 VanDerWaalsContact C-N 3.31Å; F46-F48 PolarHBondContact O-N 2.82Å; F46-D49 PolarHBondContact O-N 2.97Å; F46-V50 HydrophobicContact CD1-CG2 4.41Å; F46-V50 HydrophobicContact CD2-CG2 4.41Å; F46-V50 HydrophobicContact CE1-CG2 4.04Å; F46-V50 HydrophobicContact CE2-CG2 4.03Å; F46-V50 HydrophobicContact CZ-CG2 3.84Å; F46-V50 WeakPolarHBondContact O-CB 3Å; F46-V50 VanDerWaalsContact O-CG2 3.25Å; F46-V50 WeakPolarHBondContact O-CG2 3.41Å; F46-V50 PolarHBondContact O-N 3.04Å; F46-P61 HydrophobicContact CD2-CG 4.35Å; F46-P61 HydrophobicContact CE2-CB 4.34Å; F46-P61 HydrophobicContact CE2-CG 3.87Å; F46-P62 WeakPolarHBondContact CE2-O 3.46Å; F46-P64 HydrophobicContact CD1-CG 4.38Å; F46-P64 HydrophobicContact CD2-CB 4.33Å; F46-P64 HydrophobicContact CD2-CG 4.07Å; F46-P64 HydrophobicContact CE1-CG 4.45Å; F46-P64 HydrophobicContact CE2-CG 4.16Å; F46-P64 HydrophobicContact CG-CG 4.18Å; F46-P64 HydrophobicContact CZ-CG 4.34Å; F46-F67 HydrophobicContact CB-CE1 3.89Å; F46-F67 HydrophobicContact CB-CZ 4Å; F46-F67 HydrophobicContact CD1-CZ 4.04Å; F46-F67 HydrophobicContact CG-CE1 4.38Å; F46-F67 HydrophobicContact CG-CZ 4.11Å; F46-H99 WeakPolarHBondContact CE1-O 3.26Å; F46-L102 HydrophobicContact CD1-CB 4Å; F46-L102 HydrophobicContact CE1-CB 4.14Å; F46-R103 HydrophobicContact CE1-CB 4.06Å; F46-R103 HydrophobicContact CZ-CB 4.16Å; F46-V233 HydrophobicContact CD2-CG1 3.97Å; F46-V233 HydrophobicContact CD2-CG2 4.17Å; F46-V233 HydrophobicContact CE2-CG1 4.24Å
47	C	98.7	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-38.7	172	-68.8	0	0	0	0	112.4	M43 C44 Y45 V50 L51 W78 A106 C129	M43-C47 PolarHBondContact O-N 3.25Å; M43-C47 VanDerWaalsContact O-N 3.08Å; M43-C47 PolarHBondContact O-SG 3.09Å; M43-C47 VanDerWaalsContact O-SG 3.34Å; C44-C47 WeakPolarHBondContact O-CB 2.85Å; C44-C47 PolarHBondContact O-N 3.46Å; Y45-C47 VanDerWaalsContact C-N 3.34Å; Y45-C47 PolarHBondContact O-N 2.88Å; C47-V50 PolarHBondContact O-N 2.89Å; C47-L51 WeakPolarHBondContact O-CB 3.26Å; C47-L51 PolarHBondContact O-N 3.47Å; C47-W78 HydrophobicContact CB-CH2 4.2Å; C47-W78 HydrophobicContact CB-CZ2 4.24Å; C47-A106 HydrophobicContact CB-CB 3.92Å; C47-C129 WeakPolarHBondContact CB-SG 3.33Å
48	F	98.6	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-41	172.8	-81.8	-68.7	0	0	0	112.8	C44 Y45 F46 V50 L51 H52 W78 F124 L127 C129 V218 A220 Y223	C44-F48 VanDerWaalsContact O-CD2 3.26Å; C44-F48 WeakPolarHBondContact O-CD2 3.49Å; C44-F48 PolarHBondContact O-N 3.48Å; Y45-F48 CarbonylContact O-C 3.39Å; Y45-F48 WeakPolarHBondContact O-CA 3.4Å; Y45-F48 WeakPolarHBondContact O-CB 3.39Å; Y45-F48 PolarHBondContact O-N 3.29Å; F46-F48 VanDerWaalsContact C-N 3.31Å; F46-F48 PolarHBondContact O-N 2.82Å; F48-V50 VanDerWaalsContact C-N 3.31Å; F48-V50 PolarHBondContact O-N 3.47Å; F48-L51 PolarHBondContact O-N 3.46Å; F48-H52 WeakPolarHBondContact O-CB 3.37Å; F48-H52 PolarHBondContact O-N 3.15Å; F48-W78 HydrophobicContact CD1-CH2 4.09Å; F48-W78 AromaticContact CD1-CZ3 3.78Å; F48-W78 HydrophobicContact CD1-CZ3 3.78Å; F48-W78 HydrophobicContact CE1-CH2 4.34Å; F48-W78 AromaticContact CE1-CZ3 3.58Å; F48-W78 HydrophobicContact CE1-CZ3 3.58Å; F48-W78 HydrophobicContact CG-CH2 4.4Å; F48-W78 HydrophobicContact CG-CZ3 4.37Å; F48-W78 AromaticContact CZ-CZ3 3.98Å; F48-W78 HydrophobicContact CZ-CZ3 3.98Å; F48-F124 HydrophobicContact CB-CZ 4.33Å; F48-F124 HydrophobicContact CD1-CE1 4.33Å; F48-F124 AromaticContact CD1-CE2 3.92Å; F48-F124 HydrophobicContact CD1-CE2 3.92Å; F48-F124 AromaticContact CD1-CZ 3.65Å; F48-F124 HydrophobicContact CD1-CZ 3.65Å; F48-F124 HydrophobicContact CE1-CZ 4.46Å; F48-F124 HydrophobicContact CG-CZ 4.44Å; F48-L127 HydrophobicContact CE1-CB 4.13Å; F48-C129 HydrophobicContact CD2-CB 3.93Å; F48-C129 HydrophobicContact CE1-CB 4.47Å; F48-C129 HydrophobicContact CE2-CB 3.42Å; F48-C129 VanDerWaalsContact CE2-CB 3.42Å; F48-C129 HydrophobicContact CZ-CB 3.73Å; F48-V218 HydrophobicContact CD2-CG1 4.48Å; F48-V218 HydrophobicContact CE2-CB 4.32Å; F48-V218 HydrophobicContact CE2-CG1 3.95Å; F48-V218 VanDerWaalsContact CE2-O 3.32Å; F48-V218 WeakPolarHBondContact CE2-O 3.31Å; F48-A220 HydrophobicContact CE1-CB 3.71Å; F48-A220 HydrophobicContact CZ-CB 3.91Å; F48-Y223 HydrophobicContact CB-CD1 3.74Å; F48-Y223 HydrophobicContact CB-CD2 3.64Å; F48-Y223 HydrophobicContact CB-CE1 3.75Å; F48-Y223 HydrophobicContact CB-CE2 3.63Å; F48-Y223 HydrophobicContact CB-CG 3.67Å; F48-Y223 HydrophobicContact CD1-CD1 4.19Å; F48-Y223 HydrophobicContact CD2-CD1 4.32Å; F48-Y223 HydrophobicContact CD2-CD2 4.31Å; F48-Y223 AromaticContact CD2-CG 3.87Å; F48-Y223 HydrophobicContact CD2-CG 3.87Å; F48-Y223 AromaticContact CG-CD1 3.87Å; F48-Y223 HydrophobicContact CG-CD1 3.87Å; F48-Y223 HydrophobicContact CG-CD2 4.24Å; F48-Y223 HydrophobicContact CG-CE1 4.3Å; F48-Y223 AromaticContact CG-CG 3.82Å; F48-Y223 HydrophobicContact CG-CG 3.82Å
49	D	98.2	Very high	97.6	Very high	13 Å²	13	49 Å²	49	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-43.9	175	-68.7	-50.8	0	0	0	110.6	Y45 F46 N53 P61 Y223 Y231 V233	Y45-D49 PolarHBondContact O-N 2.9Å; F46-D49 PolarHBondContact O-N 2.97Å; D49-N53 WeakPolarHBondContact O-CB 3.34Å; D49-N53 PolarHBondContact O-N 3.43Å; D49-N53 PolarHBondContact O-OD1 3.45Å; D49-P61 HydrophobicContact CB-CB 4.13Å; D49-P61 HydrophobicContact CB-CG 3.98Å; D49-Y223 WeakPolarHBondContact OD1-CE2 3.47Å; D49-Y223 PolarHBondContact OD1-OH 3.4Å; D49-Y231 WeakPolarHBondContact OD2-CE1 3.48Å; D49-Y231 PolarHBondContact OD2-OH 3.02Å; D49-Y231 VanDerWaalsContact OD2-OH 3.04Å; D49-V233 HydrophobicContact CB-CG2 4.24Å; D49-V233 WeakPolarHBondContact OD2-CG2 3.47Å
50	V	98.6	Very high	97.7	Very high	6 Å²	6	52 Å²	52	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-48.2	177.3	168.6	0	0	0	0	111.3	F46 C47 F48 H54 P61 R103 A106 I107	F46-V50 HydrophobicContact CD1-CG2 4.41Å; F46-V50 HydrophobicContact CD2-CG2 4.41Å; F46-V50 HydrophobicContact CE1-CG2 4.04Å; F46-V50 HydrophobicContact CE2-CG2 4.03Å; F46-V50 HydrophobicContact CZ-CG2 3.84Å; F46-V50 WeakPolarHBondContact O-CB 3Å; F46-V50 VanDerWaalsContact O-CG2 3.25Å; F46-V50 WeakPolarHBondContact O-CG2 3.41Å; F46-V50 PolarHBondContact O-N 3.04Å; C47-V50 PolarHBondContact O-N 2.89Å; F48-V50 VanDerWaalsContact C-N 3.31Å; F48-V50 PolarHBondContact O-N 3.47Å; V50-H54 WeakPolarHBondContact O-CB 3.17Å; V50-H54 PolarHBondContact O-N 3.24Å; V50-H54 VanDerWaalsContact O-N 3.08Å; V50-P61 HydrophobicContact CB-CG 4.37Å; V50-P61 HydrophobicContact CG2-CG 3.52Å; V50-R103 HydrophobicContact CG1-CG 4.23Å; V50-R103 HydrophobicContact CG2-CB 4.33Å; V50-R103 HydrophobicContact CG2-CG 4.1Å; V50-A106 HydrophobicContact CB-CB 4.23Å; V50-A106 HydrophobicContact CG1-CB 3.9Å; V50-I107 HydrophobicContact CG1-CD1 3.54Å; V50-I107 HydrophobicContact CG1-CG1 3.6Å
51	L	98.6	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-45.9	178.9	179.2	59	0	0	0	111.7	C47 F48 N53 H54 L55 W78 A110 M111 I119 F124 L127	C47-L51 WeakPolarHBondContact O-CB 3.26Å; C47-L51 PolarHBondContact O-N 3.47Å; F48-L51 PolarHBondContact O-N 3.46Å; L51-N53 PolarHBondContact O-N 3.09Å; L51-H54 WeakPolarHBondContact O-CB 3.35Å; L51-H54 PolarHBondContact O-N 3.06Å; L51-L55 HydrophobicContact CD1-CD1 4.09Å; L51-L55 HydrophobicContact CD1-CD2 4.43Å; L51-L55 HydrophobicContact CD1-CG 4.02Å; L51-L55 HydrophobicContact CG-CD1 3.98Å; L51-L55 HydrophobicContact CG-CG 4.35Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.04Å; L51-W78 HydrophobicContact CB-CH2 4.14Å; L51-W78 HydrophobicContact CB-CZ2 4.15Å; L51-W78 HydrophobicContact CD2-CD2 4.42Å; L51-W78 HydrophobicContact CD2-CE3 4.33Å; L51-W78 HydrophobicContact CD2-CH2 3.7Å; L51-W78 HydrophobicContact CD2-CZ2 3.8Å; L51-W78 HydrophobicContact CD2-CZ3 3.96Å; L51-A110 HydrophobicContact CD1-CB 3.63Å; L51-A110 HydrophobicContact CD2-CB 4.33Å; L51-M111 HydrophobicContact CD1-SD 4.33Å; L51-I119 HydrophobicContact CD2-CG2 4.38Å; L51-F124 HydrophobicContact CB-CE2 4.38Å; L51-F124 HydrophobicContact CD2-CD2 4.13Å; L51-F124 HydrophobicContact CD2-CE2 4.24Å; L51-F124 HydrophobicContact CG-CD2 4.24Å; L51-F124 HydrophobicContact CG-CE2 4.19Å; L51-L127 HydrophobicContact CD2-CD1 3.81Å
52	H	98	Very high	97.8	Very high	38 Å²	38	44.7 Å²	44.7	18%	0.176	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-49.3	178.3	173.5	-80.5	0	0	0	111.3	F48 H54 L55 H56 F124	F48-H52 WeakPolarHBondContact O-CB 3.37Å; F48-H52 PolarHBondContact O-N 3.15Å; H52-H54 VanDerWaalsContact C-N 3.3Å; H52-H54 PolarHBondContact O-N 3.2Å; H52-L55 PolarHBondContact O-N 3.15Å; H52-H56 AromaticContact CD2-CD2 3.71Å; H52-H56 AromaticContact CD2-NE2 3.83Å; H52-H56 AromaticContact CE1-CD2 3.53Å; H52-H56 AromaticContact CG-CD2 3.93Å; H52-H56 AromaticContact ND1-CD2 3.85Å; H52-H56 AromaticContact NE2-CD2 3.52Å; H52-H56 AromaticContact NE2-NE2 3.71Å; H52-H56 PolarHBondContact O-CD2 3.07Å; H52-H56 PolarHBondContact O-N 2.83Å; H52-H56 VanDerWaalsContact O-N 3.12Å; H52-F124 HydrophobicContact CB-CE2 3.89Å; H52-F124 HydrophobicContact CB-CZ 3.9Å
53	N	98.1	Very high	97.7	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-36.5	179.4	-73.5	14.5	0	0	0	111.8	D49 L51 N57 L58 E59	D49-N53 WeakPolarHBondContact O-CB 3.34Å; D49-N53 PolarHBondContact O-N 3.43Å; D49-N53 PolarHBondContact O-OD1 3.45Å; L51-N53 PolarHBondContact O-N 3.09Å; N53-N57 PolarHBondContact O-N 2.67Å; N53-N57 VanDerWaalsContact O-N 3.13Å; N53-L58 HydrophobicContact CB-CB 3.92Å; N53-L58 PolarHBondContact O-N 2.8Å; N53-E59 PolarHBondContact ND2-O 3.15Å
54	H	98.2	Very high	97.5	Very high	81 Å²	81	44.9 Å²	44.9	38%	0.375	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-46.3	175.6	-177.4	74.2	0	0	0	112.8	V50 L51 H52 H56 N57 I107	V50-H54 WeakPolarHBondContact O-CB 3.17Å; V50-H54 PolarHBondContact O-N 3.24Å; V50-H54 VanDerWaalsContact O-N 3.08Å; L51-H54 WeakPolarHBondContact O-CB 3.35Å; L51-H54 PolarHBondContact O-N 3.06Å; H52-H54 VanDerWaalsContact C-N 3.3Å; H52-H54 PolarHBondContact O-N 3.2Å; H54-H56 VanDerWaalsContact C-N 3.29Å; H54-H56 PolarHBondContact O-N 3.29Å; H54-N57 PolarHBondContact O-N 3.27Å; H54-I107 HydrophobicContact CB-CD1 3.45Å; H54-I107 VanDerWaalsContact CB-CD1 3.45Å
55	L	97.7	Very high	97.3	Very high	21 Å²	21	54 Å²	54	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-39.8	179.6	-68.4	172.6	0	0	0	111.6	L51 H52 N57 M111 I119 E121 F124	L51-L55 HydrophobicContact CD1-CD1 4.09Å; L51-L55 HydrophobicContact CD1-CD2 4.43Å; L51-L55 HydrophobicContact CD1-CG 4.02Å; L51-L55 HydrophobicContact CG-CD1 3.98Å; L51-L55 HydrophobicContact CG-CG 4.35Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.04Å; H52-L55 PolarHBondContact O-N 3.15Å; L55-N57 PolarHBondContact O-N 3.19Å; L55-M111 HydrophobicContact CD2-CE 4.36Å; L55-I119 WeakPolarHBondContact CD2-O 3.38Å; L55-E121 HydrophobicContact CB-CG 3.82Å; L55-E121 HydrophobicContact CD1-CG 4.39Å; L55-E121 HydrophobicContact CG-CG 4.47Å; L55-E121 VanDerWaalsContact O-OE1 3.12Å; L55-F124 HydrophobicContact CD1-CB 4.45Å; L55-F124 HydrophobicContact CD1-CD2 3.84Å
56	H	97.8	Very high	97	Very high	80 Å²	80	55.1 Å²	55.1	37%	0.37	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	11.9	-179.5	-63.4	-57.2	0	0	0	114.9	H52 H54 L58 E121	H52-H56 AromaticContact CD2-CD2 3.71Å; H52-H56 AromaticContact CD2-NE2 3.83Å; H52-H56 AromaticContact CE1-CD2 3.53Å; H52-H56 AromaticContact CG-CD2 3.93Å; H52-H56 AromaticContact ND1-CD2 3.85Å; H52-H56 AromaticContact NE2-CD2 3.52Å; H52-H56 AromaticContact NE2-NE2 3.71Å; H52-H56 PolarHBondContact O-CD2 3.07Å; H52-H56 PolarHBondContact O-N 2.83Å; H52-H56 VanDerWaalsContact O-N 3.12Å; H54-H56 VanDerWaalsContact C-N 3.29Å; H54-H56 PolarHBondContact O-N 3.29Å; H56-L58 HydrophobicContact CB-CD1 4.1Å; H56-L58 HydrophobicContact CB-CG 3.96Å; H56-L58 PolarHBondContact O-N 3.16Å; H56-E121 VanDerWaalsContact CE1-CD 3.41Å; H56-E121 IonicContact CE1-OE1 3.57Å; H56-E121 IonicContact CE1-OE2 3.29Å; H56-E121 PolarHBondContact CE1-OE2 2.85Å; H56-E121 VanDerWaalsContact CE1-OE2 3.29Å; H56-E121 IonicContact ND1-OE1 3.16Å; H56-E121 PolarHBondContact ND1-OE1 2.95Å; H56-E121 VanDerWaalsContact ND1-OE1 3.16Å; H56-E121 IonicContact ND1-OE2 3.59Å
57	N	96.9	Very high	96.8	Very high	151 Å²	151	55.5 Å²	55.5	81%	0.807	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.9	-178	-58.1	-70.9	0	0	0	113.9	N53 H54 L55	N53-N57 PolarHBondContact O-N 2.67Å; N53-N57 VanDerWaalsContact O-N 3.13Å; H54-N57 PolarHBondContact O-N 3.27Å; L55-N57 PolarHBondContact O-N 3.19Å
58	L	97.7	Very high	96.5	Very high	91 Å²	91	58 Å²	58	48%	0.476	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-94.1	158.8	175.3	-57.4	176.5	0	0	0	110.8	N53 H56	N53-L58 HydrophobicContact CB-CB 3.92Å; N53-L58 PolarHBondContact O-N 2.8Å; H56-L58 HydrophobicContact CB-CD1 4.1Å; H56-L58 HydrophobicContact CB-CG 3.96Å; H56-L58 PolarHBondContact O-N 3.16Å
59	E	96.9	Very high	96.4	Very high	163 Å²	163	61.1 Å²	61.1	76%	0.762	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-56	140	172.8	-72.5	-58.5	123.4	0	0	111.4	N53	N53-E59 PolarHBondContact ND2-O 3.15Å
60	P	96.3	Very high	96.3	Very high	85 Å²	85	63.4 Å²	63.4	55%	0.552	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-55.6	142.6	177.4	-23.9	33.1	0	0	0	111.5	R103	P60-R103 VanDerWaalsContact CB-NH1 3.3Å
61	P	96.5	Very high	96.3	Very high	10 Å²	10	66 Å²	66	7%	0.065	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.7	151.9	179.2	25.4	-35	0	0	0	110.8	F46 D49 V50 R103 V233	F46-P61 HydrophobicContact CD2-CG 4.35Å; F46-P61 HydrophobicContact CE2-CB 4.34Å; F46-P61 HydrophobicContact CE2-CG 3.87Å; D49-P61 HydrophobicContact CB-CB 4.13Å; D49-P61 HydrophobicContact CB-CG 3.98Å; V50-P61 HydrophobicContact CB-CG 4.37Å; V50-P61 HydrophobicContact CG2-CG 3.52Å; P61-R103 PolarHBondContact O-NH1 3.19Å; P61-R103 PolarHBondContact O-NH2 2.95Å; P61-V233 HydrophobicContact CB-CG2 4.4Å
62	P	96.1	Very high	96.2	Very high	91 Å²	91	68.3 Å²	68.3	59%	0.591	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-61.2	172.5	177.4	27.7	-35.5	0	0	0	111.9	F46 R103 V233	F46-P62 WeakPolarHBondContact CE2-O 3.46Å; P62-R103 PolarHBondContact O-NH2 3.07Å; P62-V233 HydrophobicContact CG-CG1 4.31Å; P62-V233 WeakPolarHBondContact O-CG1 3.33Å
63	A	94.7	Very high	96.2	Very high	60 Å²	60	67.1 Å²	67.1	50%	0.496	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-64.3	133.8	173	0	0	0	0	0	110.5
64	P	95	Very high	96.2	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.032	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66.9	141.5	-178	20.8	-25.4	0	0	0	112.4	F46 F67 H99 V233	F46-P64 HydrophobicContact CD1-CG 4.38Å; F46-P64 HydrophobicContact CD2-CB 4.33Å; F46-P64 HydrophobicContact CD2-CG 4.07Å; F46-P64 HydrophobicContact CE1-CG 4.45Å; F46-P64 HydrophobicContact CE2-CG 4.16Å; F46-P64 HydrophobicContact CG-CG 4.18Å; F46-P64 HydrophobicContact CZ-CG 4.34Å; P64-F67 HydrophobicContact CB-CD1 4Å; P64-F67 HydrophobicContact CB-CE1 3.45Å; P64-F67 VanDerWaalsContact CB-CE1 3.45Å; P64-F67 HydrophobicContact CB-CE2 4.37Å; P64-F67 HydrophobicContact CB-CZ 3.69Å; P64-F67 HydrophobicContact CG-CD1 4.37Å; P64-F67 HydrophobicContact CG-CD2 4.46Å; P64-F67 HydrophobicContact CG-CE1 3.59Å; P64-F67 HydrophobicContact CG-CE2 3.71Å; P64-F67 HydrophobicContact CG-CZ 3.22Å; P64-H99 HydrophobicContact CG-CB 4.45Å; P64-H99 PolarHBondContact O-CE1 3.24Å; P64-V233 VanDerWaalsContact CA-CG1 3.4Å; P64-V233 HydrophobicContact CB-CG1 3.8Å
65	K	93.8	Very high	96.2	Very high	191 Å²	191	63.1 Å²	63.1	83%	0.83	35%	0.348	S	S	*	.	S	Bend	trans	-102.5	-11.6	172	-61.7	179.2	-175	175.2	0	112.7	V233	K65-V233 PolarHBondContact N-OXT 3.36Å
66	T	92.6	Very high	96.2	Very high	45 Å²	45	62.1 Å²	62.1	28%	0.276	34%	0.343	S	S	.	.	S	Bend	trans	-80.3	-14.8	-171.9	52.4	0	0	0	0	114.1	R40	R40-T66 PolarHBondContact NH1-O 3.16Å
67	F	94.5	Very high	96.2	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	33%	0.329	C	S	.	.	S	Bend	trans	-143.5	153.5	178.3	59.5	-96.6	0	0	0	112.3	R40 E42 M43 F46 P64 I98 H99 L102	R40-F67 HydrophobicContact CG-CB 4.5Å; E42-F67 HydrophobicContact CB-CD1 3.89Å; E42-F67 HydrophobicContact CB-CE1 4.43Å; E42-F67 WeakPolarHBondContact O-CE1 3.25Å; M43-F67 HydrophobicContact CB-CZ 4.48Å; M43-F67 HydrophobicContact CE-CB 4.27Å; M43-F67 HydrophobicContact CE-CD2 4.01Å; M43-F67 HydrophobicContact CE-CG 4.35Å; M43-F67 HydrophobicContact CG-CB 4.5Å; M43-F67 HydrophobicContact CG-CD1 4.08Å; M43-F67 HydrophobicContact CG-CD2 3.88Å; M43-F67 HydrophobicContact CG-CE1 4.16Å; M43-F67 HydrophobicContact CG-CE2 3.95Å; M43-F67 HydrophobicContact CG-CG 3.93Å; M43-F67 HydrophobicContact CG-CZ 4.07Å; F46-F67 HydrophobicContact CB-CE1 3.89Å; F46-F67 HydrophobicContact CB-CZ 4Å; F46-F67 HydrophobicContact CD1-CZ 4.04Å; F46-F67 HydrophobicContact CG-CE1 4.38Å; F46-F67 HydrophobicContact CG-CZ 4.11Å; P64-F67 HydrophobicContact CB-CD1 4Å; P64-F67 HydrophobicContact CB-CE1 3.45Å; P64-F67 VanDerWaalsContact CB-CE1 3.45Å; P64-F67 HydrophobicContact CB-CE2 4.37Å; P64-F67 HydrophobicContact CB-CZ 3.69Å; P64-F67 HydrophobicContact CG-CD1 4.37Å; P64-F67 HydrophobicContact CG-CD2 4.46Å; P64-F67 HydrophobicContact CG-CE1 3.59Å; P64-F67 HydrophobicContact CG-CE2 3.71Å; P64-F67 HydrophobicContact CG-CZ 3.22Å; F67-I98 HydrophobicContact CD2-CD1 4.09Å; F67-I98 HydrophobicContact CD2-CG1 4.48Å; F67-I98 HydrophobicContact CE2-CG1 4.47Å; F67-H99 AromaticContact CD2-CD2 3.91Å; F67-H99 AromaticContact CD2-NE2 3.89Å; F67-H99 AromaticContact CE2-CD2 3.5Å; F67-H99 VanDerWaalsContact CE2-CD2 3.5Å; F67-H99 WeakPolarHBondContact CE2-CD2 3.29Å; F67-H99 AromaticContact CE2-NE2 3.9Å; F67-H99 PolarHBondContact O-NE2 3.11Å; F67-H99 VanDerWaalsContact O-NE2 3.15Å; F67-L102 HydrophobicContact CE2-CD1 3.89Å; F67-L102 HydrophobicContact CZ-CD1 3.92Å
68	P	92.6	Very high	96.3	Very high	51 Å²	51	51.6 Å²	51.6	33%	0.331	29%	0.29	S	S	.	.			trans	-59.6	172.4	-178	25.6	-36	0	0	0	112.1	I98 H99	P68-I98 HydrophobicContact CG-CD1 4.39Å; P68-I98 WeakPolarHBondContact O-CD1 3.48Å; P68-I98 VanDerWaalsContact O-CG1 3.26Å; P68-I98 WeakPolarHBondContact O-CG1 3.36Å; P68-H99 PolarHBondContact O-CD2 2.77Å; P68-H99 PolarHBondContact O-NE2 2.73Å; P68-H99 VanDerWaalsContact O-NE2 3.09Å
69	N	96.1	Very high	96.3	Very high	67 Å²	67	48.1 Å²	48.1	36%	0.358	27%	0.272	S	S	.	.			trans	-120	27.6	177.7	-162.2	21.9	0	0	0	113.6	N97 I98 H99	N69-N97 PolarHBondContact O-OD1 2.89Å; N69-I98 PolarHBondContact OD1-N 2.98Å; N69-H99 WeakPolarHBondContact OD1-CB 3.47Å; N69-H99 PolarHBondContact OD1-CD2 3.34Å; N69-H99 VanDerWaalsContact OD1-CD2 3.25Å; N69-H99 PolarHBondContact OD1-N 2.77Å
70	S	96.1	Very high	96.4	Very high	61 Å²	61	44.2 Å²	44.2	43%	0.427	25%	0.251	S	S	.	.			trans	-64.8	154.9	178.8	-51.1	0	0	0	0	111.8	Y72 I98	S70-Y72 WeakPolarHBondContact O-CD2 3.1Å; S70-I98 WeakPolarHBondContact O-CG1 3.45Å; S70-I98 WeakPolarHBondContact O-CG2 3.46Å; S70-I98 PolarHBondContact O-N 2.69Å
71	S	97.4	Very high	96.4	Very high	59 Å²	59	41.2 Å²	41.2	41%	0.413	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.9	-177.9	-65.8	0	0	0	0	113	M96 N97	S71-M96 CarbonylContact C-O 3.53Å; S71-M96 VanDerWaalsContact CA-O 3.25Å; S71-M96 WeakPolarHBondContact CA-O 3.26Å; S71-N97 PolarHBondContact OG-N 3.14Å; S71-N97 PolarHBondContact OG-OD1 3.43Å
72	Y	97.7	Very high	96.3	Very high	50 Å²	50	51.4 Å²	51.4	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148	174.9	-67	-81.7	0	0	0	111	V38 S70 M96 I98 L133 L135	V38-Y72 HydrophobicContact CG1-CD2 4.31Å; V38-Y72 HydrophobicContact CG1-CE1 4.43Å; V38-Y72 HydrophobicContact CG1-CE2 3.51Å; S70-Y72 WeakPolarHBondContact O-CD2 3.1Å; Y72-M96 PolarHBondContact N-O 2.96Å; Y72-M96 PolarHBondContact O-N 3.16Å; Y72-I98 HydrophobicContact CD2-CG2 3.79Å; Y72-I98 HydrophobicContact CG-CG2 4.5Å; Y72-L133 HydrophobicContact CD2-CD1 3.96Å; Y72-L133 HydrophobicContact CE2-CD1 4.39Å; Y72-L133 HydrophobicContact CG-CD1 4.13Å; Y72-L133 HydrophobicContact CG-CD2 4.49Å; Y72-L135 HydrophobicContact CD1-CD2 3.51Å; Y72-L135 HydrophobicContact CE1-CD2 3.44Å; Y72-L135 VanDerWaalsContact CE1-CD2 3.44Å
73	P	97.4	Very high	96.2	Very high	13 Å²	13	54.2 Å²	54.2	8%	0.084	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	136.5	159.1	-12.6	28.8	0	0	0	108.7	T92 F93 A95 L134 F137	P73-T92 WeakPolarHBondContact CA-O 3.19Å; P73-T92 VanDerWaalsContact CB-O 3.27Å; P73-T92 WeakPolarHBondContact CB-O 3.37Å; P73-F93 WeakPolarHBondContact CG-O 3.48Å; P73-A95 HydrophobicContact CG-CB 4.41Å; P73-L134 HydrophobicContact CB-CB 4.11Å; P73-L134 HydrophobicContact CB-CD1 4.36Å; P73-L134 HydrophobicContact CB-CG 4.36Å; P73-L134 PolarHBondContact O-N 2.65Å; P73-F137 HydrophobicContact CB-CZ 4.32Å; P73-F137 HydrophobicContact CG-CE2 3.81Å; P73-F137 HydrophobicContact CG-CZ 4.04Å
74	L	97.6	Very high	96.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.3	-170.1	69.8	82.7	0	0	0	112.7	V76 G91 T92 I98 L102 Y105 S132 L133	L74-V76 HydrophobicContact CD1-CG2 4.25Å; L74-G91 CarbonylContact O-C 3.57Å; L74-G91 WeakPolarHBondContact O-CA 3.47Å; L74-T92 PolarHBondContact N-O 3.31Å; L74-T92 PolarHBondContact O-N 3.12Å; L74-I98 HydrophobicContact CD2-CG2 4.18Å; L74-L102 HydrophobicContact CD1-CD2 4.2Å; L74-L102 HydrophobicContact CD2-CD2 4.2Å; L74-L102 HydrophobicContact CD2-CG 4.3Å; L74-Y105 HydrophobicContact CD1-CD2 3.62Å; L74-Y105 HydrophobicContact CD1-CG 4.08Å; L74-Y105 HydrophobicContact CG-CD2 4.42Å; L74-S132 CarbonylContact C-O 3.51Å; L74-S132 VanDerWaalsContact CA-O 3.23Å; L74-S132 WeakPolarHBondContact CA-O 3.39Å; L74-L133 HydrophobicContact CB-CD2 3.58Å; L74-L133 HydrophobicContact CD2-CD2 4.4Å
75	F	97.9	Very high	96.2	Very high	23 Å²	23	62.2 Å²	62.2	10%	0.101	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.4	171.6	-80.8	-104.1	0	0	0	109.6	F93 S132 L134 T168 L170	F75-F93 HydrophobicContact CE2-CD2 4.33Å; F75-F93 AromaticContact CE2-CE2 3.78Å; F75-F93 HydrophobicContact CE2-CE2 3.78Å; F75-F93 HydrophobicContact CE2-CZ 4.14Å; F75-F93 HydrophobicContact CZ-CD2 4.37Å; F75-F93 AromaticContact CZ-CE2 3.71Å; F75-F93 HydrophobicContact CZ-CE2 3.71Å; F75-F93 HydrophobicContact CZ-CZ 4.37Å; F75-S132 PolarHBondContact N-O 3.49Å; F75-S132 PolarHBondContact O-N 3.35Å; F75-L134 HydrophobicContact CD2-CD1 3.98Å; F75-L134 HydrophobicContact CD2-CD2 4.42Å; F75-L134 HydrophobicContact CD2-CG 4.34Å; F75-L134 HydrophobicContact CE2-CD1 3.81Å; F75-T168 HydrophobicContact CZ-CG2 4.43Å; F75-L170 HydrophobicContact CD2-CD2 4.26Å; F75-L170 HydrophobicContact CG-CD2 4.38Å
76	V	98.6	Very high	96.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.1	166.5	-177.9	0	0	0	0	107.7	L74 W78 C89 I90 L102 S109	L74-V76 HydrophobicContact CD1-CG2 4.25Å; V76-W78 HydrophobicContact CG1-CZ2 4.34Å; V76-C89 WeakPolarHBondContact O-CA 3.46Å; V76-I90 PolarHBondContact N-O 2.93Å; V76-I90 PolarHBondContact O-N 3.36Å; V76-I90 VanDerWaalsContact O-N 3.17Å; V76-L102 HydrophobicContact CG2-CD2 3.95Å; V76-S109 WeakPolarHBondContact O-CB 3.24Å
77	T	98.4	Very high	96.5	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129	-179.4	-57.5	0	0	0	0	109.7	T79 L86 G88 C89 S130	T77-T79 HydrophobicContact CG2-CG2 4.36Å; T77-L86 HydrophobicContact CG2-CD1 3.69Å; T77-G88 CarbonylContact C-O 3.53Å; T77-G88 WeakPolarHBondContact CA-O 3.21Å; T77-C89 HydrophobicContact CG2-CB 4.04Å; T77-C89 PolarHBondContact OG1-SG 3.25Å; T77-S130 PolarHBondContact N-O 3.17Å; T77-S130 PolarHBondContact O-N 3.22Å
78	W	98.7	Very high	96.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129	170.7	-59.5	103.4	0	0	0	108.9	C47 F48 L51 V76 R87 G88 A106 S109 I119 L127 T128 C129	C47-W78 HydrophobicContact CB-CH2 4.2Å; C47-W78 HydrophobicContact CB-CZ2 4.24Å; F48-W78 HydrophobicContact CD1-CH2 4.09Å; F48-W78 AromaticContact CD1-CZ3 3.78Å; F48-W78 HydrophobicContact CD1-CZ3 3.78Å; F48-W78 HydrophobicContact CE1-CH2 4.34Å; F48-W78 AromaticContact CE1-CZ3 3.58Å; F48-W78 HydrophobicContact CE1-CZ3 3.58Å; F48-W78 HydrophobicContact CG-CH2 4.4Å; F48-W78 HydrophobicContact CG-CZ3 4.37Å; F48-W78 AromaticContact CZ-CZ3 3.98Å; F48-W78 HydrophobicContact CZ-CZ3 3.98Å; L51-W78 HydrophobicContact CB-CH2 4.14Å; L51-W78 HydrophobicContact CB-CZ2 4.15Å; L51-W78 HydrophobicContact CD2-CD2 4.42Å; L51-W78 HydrophobicContact CD2-CE3 4.33Å; L51-W78 HydrophobicContact CD2-CH2 3.7Å; L51-W78 HydrophobicContact CD2-CZ2 3.8Å; L51-W78 HydrophobicContact CD2-CZ3 3.96Å; V76-W78 HydrophobicContact CG1-CZ2 4.34Å; W78-R87 HydrophobicContact CB-CB 4.35Å; W78-R87 WeakPolarHBondContact O-CA 3.5Å; W78-R87 PolarHBondContact O-N 3.31Å; W78-G88 PolarHBondContact N-O 2.91Å; W78-G88 PolarHBondContact O-N 3.16Å; W78-A106 HydrophobicContact CZ2-CB 4.36Å; W78-A106 PolarHBondContact NE1-O 3.16Å; W78-S109 PolarHBondContact NE1-OG 3.42Å; W78-I119 HydrophobicContact CB-CD1 3.79Å; W78-I119 HydrophobicContact CD2-CD1 4.32Å; W78-I119 HydrophobicContact CG-CD1 3.76Å; W78-L127 HydrophobicContact CE3-CB 4.25Å; W78-L127 HydrophobicContact CE3-CD1 4.17Å; W78-L127 HydrophobicContact CZ3-CD1 4.43Å; W78-T128 WeakPolarHBondContact CA-O 3.21Å; W78-C129 HydrophobicContact CE3-CB 3.87Å; W78-C129 HydrophobicContact CH2-CB 3.86Å; W78-C129 HydrophobicContact CZ3-CB 3.39Å
79	T	98.3	Very high	96.9	Very high	17 Å²	17	54 Å²	54	10%	0.104	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154.7	165.7	56	0	0	0	0	110	T77 E84 K85 L127 T128	T77-T79 HydrophobicContact CG2-CG2 4.36Å; T79-E84 WeakPolarHBondContact CB-O 3.49Å; T79-E84 HydrophobicContact CG2-CB 4.35Å; T79-E84 VanDerWaalsContact CG2-O 3.32Å; T79-E84 WeakPolarHBondContact CG2-O 3.5Å; T79-K85 CarbonylContact C-O 3.54Å; T79-K85 WeakPolarHBondContact CA-O 3.4Å; T79-K85 WeakPolarHBondContact CB-O 3.48Å; T79-L127 CarbonylContact O-C 3.42Å; T79-L127 WeakPolarHBondContact O-CA 3.29Å; T79-T128 PolarHBondContact N-O 2.76Å; T79-T128 PolarHBondContact O-N 2.87Å; T79-T128 WeakPolarHBondContact OG1-CB 3.49Å
80	Y	97.8	Very high	96.9	Very high	81 Å²	81	53.3 Å²	53.3	32%	0.318	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.8	-173.6	176.9	-96.5	0	0	0	112.1	K85 E123 N126 L127	Y80-K85 PolarHBondContact N-O 3.08Å; Y80-K85 PolarHBondContact O-N 3.21Å; Y80-K85 VanDerWaalsContact O-N 3.09Å; Y80-E123 HydrophobicContact CD2-CB 4.05Å; Y80-E123 HydrophobicContact CD2-CG 4.37Å; Y80-E123 HydrophobicContact CE2-CB 3.77Å; Y80-E123 HydrophobicContact CE2-CG 3.92Å; Y80-N126 HydrophobicContact CD2-CB 3.89Å; Y80-N126 HydrophobicContact CE2-CB 3.46Å; Y80-N126 VanDerWaalsContact CE2-CB 3.46Å; Y80-L127 HydrophobicContact CD2-CD2 4.06Å
81	G	96.5	Very high	96.9	Very high	23 Å²	23	51.2 Å²	51.2	24%	0.237	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-178.7	174.5	0	0	0	0	0	114.1	E83 E84 N126	G81-E83 PolarHBondContact O-N 2.81Å; G81-E84 PolarHBondContact O-N 2.88Å; G81-N126 PolarHBondContact N-O 3.44Å
82	K	94.3	Very high	96.8	Very high	224 Å²	224	49.3 Å²	49.3	97%	0.974	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.7	-173.4	-63.6	-178.4	179.6	179.2	0	114.3	E84	K82-E84 VanDerWaalsContact C-N 3.27Å
83	E	93.9	Very high	96.7	Very high	149 Å²	149	49.5 Å²	49.5	70%	0.696	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	3.1	178.6	-67.2	173.7	-164.2	0	0	112.5	G81 K85	G81-E83 PolarHBondContact O-N 2.81Å; E83-K85 VanDerWaalsContact C-N 3.27Å; E83-K85 HydrophobicContact CB-CG 4.2Å; E83-K85 PolarHBondContact O-N 3.2Å; E83-K85 WeakPolarHBondContact OE2-CE 3.4Å; E83-K85 IonicContact OE2-NZ 3.45Å; E83-K85 PolarHBondContact OE2-NZ 2.98Å; E83-K85 VanDerWaalsContact OE2-NZ 3.14Å
84	E	94	Very high	96.6	Very high	107 Å²	107	53.7 Å²	53.7	50%	0.5	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	45.3	-177.3	-57.8	-165.3	125.2	0	0	113	T79 G81 K82 L86	T79-E84 WeakPolarHBondContact CB-O 3.49Å; T79-E84 HydrophobicContact CG2-CB 4.35Å; T79-E84 VanDerWaalsContact CG2-O 3.32Å; T79-E84 WeakPolarHBondContact CG2-O 3.5Å; G81-E84 PolarHBondContact O-N 2.88Å; K82-E84 VanDerWaalsContact C-N 3.27Å; E84-L86 PolarHBondContact O-N 3.47Å
85	K	95.7	Very high	96.5	Very high	126 Å²	126	56.3 Å²	56.3	55%	0.548	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	133	179.9	-67.7	-176.6	-177.3	174.4	0	109.7	T79 Y80 E83 R87	T79-K85 CarbonylContact C-O 3.54Å; T79-K85 WeakPolarHBondContact CA-O 3.4Å; T79-K85 WeakPolarHBondContact CB-O 3.48Å; Y80-K85 PolarHBondContact N-O 3.08Å; Y80-K85 PolarHBondContact O-N 3.21Å; Y80-K85 VanDerWaalsContact O-N 3.09Å; E83-K85 VanDerWaalsContact C-N 3.27Å; E83-K85 HydrophobicContact CB-CG 4.2Å; E83-K85 PolarHBondContact O-N 3.2Å; E83-K85 WeakPolarHBondContact OE2-CE 3.4Å; E83-K85 IonicContact OE2-NZ 3.45Å; E83-K85 PolarHBondContact OE2-NZ 2.98Å; E83-K85 VanDerWaalsContact OE2-NZ 3.14Å; K85-R87 PolarHBondContact O-N 3.38Å
86	L	96	Very high	96.4	Very high	78 Å²	78	57.2 Å²	57.2	41%	0.408	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	123.5	176.8	-176.2	65.7	0	0	0	109.9	T77 E84 C89 F116	T77-L86 HydrophobicContact CG2-CD1 3.69Å; E84-L86 PolarHBondContact O-N 3.47Å; L86-C89 HydrophobicContact CD1-CB 3.88Å; L86-F116 HydrophobicContact CB-CZ 4.36Å; L86-F116 HydrophobicContact CD2-CE2 4.44Å; L86-F116 HydrophobicContact CD2-CZ 3.93Å; L86-F116 HydrophobicContact CG-CE2 4.29Å; L86-F116 HydrophobicContact CG-CZ 3.78Å; L86-F116 WeakPolarHBondContact O-CE1 3.38Å
87	R	97.9	Very high	96.4	Very high	25 Å²	25	60.9 Å²	60.9	9%	0.094	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-14.4	-177.3	-169.8	59.2	-172.5	85.8	-2.8	113.8	W78 K85 F116 S117 P118 I119 E123 L127	W78-R87 HydrophobicContact CB-CB 4.35Å; W78-R87 WeakPolarHBondContact O-CA 3.5Å; W78-R87 PolarHBondContact O-N 3.31Å; K85-R87 PolarHBondContact O-N 3.38Å; R87-F116 VanDerWaalsContact NH1-CB 3.25Å; R87-F116 WeakPolarHBondContact O-CD2 3.18Å; R87-F116 WeakPolarHBondContact O-CG 3.12Å; R87-S117 VanDerWaalsContact CZ-O 3.32Å; R87-S117 PolarHBondContact NH1-O 2.93Å; R87-S117 PolarHBondContact NH2-O 3.28Å; R87-S117 PolarHBondContact NH2-OG 2.82Å; R87-P118 PolarHBondContact NH2-O 2.93Å; R87-I119 HydrophobicContact CG-CD1 3.96Å; R87-I119 HydrophobicContact CG-CG1 3.86Å; R87-E123 IonicContact CZ-OE1 3.53Å; R87-E123 IonicContact CZ-OE2 2.79Å; R87-E123 IonicContact NE-OE1 3.17Å; R87-E123 PolarHBondContact NE-OE1 2.92Å; R87-E123 IonicContact NE-OE2 2.77Å; R87-E123 PolarHBondContact NE-OE2 3.5Å; R87-E123 IonicContact NH2-OE1 3.11Å; R87-E123 IonicContact NH2-OE2 2.91Å; R87-E123 PolarHBondContact NH2-OE2 3.45Å; R87-L127 HydrophobicContact CG-CD2 4.31Å
88	G	97.9	Very high	96.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	142.9	173.4	0	0	0	0	0	110.5	T77 W78 S109 D113	T77-G88 CarbonylContact C-O 3.53Å; T77-G88 WeakPolarHBondContact CA-O 3.21Å; W78-G88 PolarHBondContact N-O 2.91Å; W78-G88 PolarHBondContact O-N 3.16Å; G88-S109 VanDerWaalsContact CA-O 3.25Å; G88-S109 WeakPolarHBondContact CA-O 3.04Å; G88-D113 WeakPolarHBondContact CA-OD2 3.25Å
89	C	96.6	Very high	96.2	Very high	21 Å²	21	61.6 Å²	61.6	14%	0.142	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	109	174.3	173.3	0	0	0	0	110.6	V76 T77 L86 D113 R115	V76-C89 WeakPolarHBondContact O-CA 3.46Å; T77-C89 HydrophobicContact CG2-CB 4.04Å; T77-C89 PolarHBondContact OG1-SG 3.25Å; L86-C89 HydrophobicContact CD1-CB 3.88Å; C89-D113 PolarHBondContact N-OD2 2.99Å; C89-R115 PolarHBondContact O-NH2 3.45Å
90	I	96.7	Very high	96.2	Very high	51 Å²	51	63.5 Å²	63.5	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149	178.9	-55.5	-68.4	0	0	0	108.5	V76 Y105 N108 D113	V76-I90 PolarHBondContact N-O 2.93Å; V76-I90 PolarHBondContact O-N 3.36Å; V76-I90 VanDerWaalsContact O-N 3.17Å; I90-Y105 HydrophobicContact CB-CD1 4.29Å; I90-Y105 HydrophobicContact CG2-CD1 3.7Å; I90-Y105 HydrophobicContact CG2-CE1 3.78Å; I90-N108 HydrophobicContact CG2-CB 4.33Å; I90-D113 HydrophobicContact CD1-CB 4.08Å; I90-D113 HydrophobicContact CG1-CB 3.91Å
91	G	95.7	Very high	96.2	Very high	18 Å²	18	59.6 Å²	59.6	19%	0.186	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	-166.7	-177.6	0	0	0	0	0	112.1	L74	L74-G91 CarbonylContact O-C 3.57Å; L74-G91 WeakPolarHBondContact O-CA 3.47Å
92	T	95.7	Very high	96.3	Very high	18 Å²	18	58.5 Å²	58.5	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.9	-177.2	-174.4	0	0	0	0	112.3	P73 L74 T94 M96 Y105	P73-T92 WeakPolarHBondContact CA-O 3.19Å; P73-T92 VanDerWaalsContact CB-O 3.27Å; P73-T92 WeakPolarHBondContact CB-O 3.37Å; L74-T92 PolarHBondContact N-O 3.31Å; L74-T92 PolarHBondContact O-N 3.12Å; T92-T94 WeakPolarHBondContact CG2-O 3.5Å; T92-T94 PolarHBondContact OG1-N 3.19Å; T92-T94 PolarHBondContact OG1-O 3.29Å; T92-M96 HydrophobicContact CG2-CG 4.22Å; T92-M96 HydrophobicContact CG2-SD 3.79Å; T92-Y105 WeakPolarHBondContact CB-OH 3.15Å; T92-Y105 HydrophobicContact CG2-CD2 4.37Å; T92-Y105 HydrophobicContact CG2-CE2 3.52Å
93	F	94.5	Very high	96.5	Very high	55 Å²	55	51 Å²	51	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-12.2	168.1	-79.6	-88.8	0	0	0	112.9	P73 F75 L134 F137 R154 T168 Y211	P73-F93 WeakPolarHBondContact CG-O 3.48Å; F75-F93 HydrophobicContact CE2-CD2 4.33Å; F75-F93 AromaticContact CE2-CE2 3.78Å; F75-F93 HydrophobicContact CE2-CE2 3.78Å; F75-F93 HydrophobicContact CE2-CZ 4.14Å; F75-F93 HydrophobicContact CZ-CD2 4.37Å; F75-F93 AromaticContact CZ-CE2 3.71Å; F75-F93 HydrophobicContact CZ-CE2 3.71Å; F75-F93 HydrophobicContact CZ-CZ 4.37Å; F93-L134 HydrophobicContact CD1-CD1 4.05Å; F93-L134 HydrophobicContact CE1-CD1 3.53Å; F93-L134 HydrophobicContact CZ-CD1 3.78Å; F93-F137 AromaticContact CD1-CE1 3.7Å; F93-F137 HydrophobicContact CD1-CE1 3.7Å; F93-F137 HydrophobicContact CD1-CZ 4.01Å; F93-F137 AromaticContact CE1-CE1 3.87Å; F93-F137 HydrophobicContact CE1-CE1 3.87Å; F93-F137 HydrophobicContact CE1-CZ 4.28Å; F93-R154 HydrophobicContact CE1-CB 4.13Å; F93-T168 HydrophobicContact CE2-CG2 3.33Å; F93-T168 VanDerWaalsContact CZ-CB 3.49Å; F93-T168 HydrophobicContact CZ-CG2 3.53Å; F93-T168 WeakPolarHBondContact CZ-OG1 3.25Å; F93-Y211 HydrophobicContact CE1-CD1 4.13Å; F93-Y211 AromaticContact CE1-CE1 3.59Å; F93-Y211 HydrophobicContact CE1-CE1 3.59Å; F93-Y211 AromaticContact CE1-CZ 3.97Å; F93-Y211 AromaticContact CZ-CE1 3.96Å; F93-Y211 HydrophobicContact CZ-CE1 3.96Å
94	T	95	Very high	96.7	Very high	101 Å²	101	47.8 Å²	47.8	62%	0.62	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	130.8	173.4	-57.7	0	0	0	0	108.6	T92 M96	T92-T94 WeakPolarHBondContact CG2-O 3.5Å; T92-T94 PolarHBondContact OG1-N 3.19Å; T92-T94 PolarHBondContact OG1-O 3.29Å; T94-M96 PolarHBondContact O-N 3.34Å
95	A	95.9	Very high	97	Very high	55 Å²	55	44 Å²	44	46%	0.455	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.5	177.2	0	0	0	0	0	110.5	P73	P73-A95 HydrophobicContact CG-CB 4.41Å
96	M	96.1	Very high	97.1	Very high	42 Å²	42	38 Å²	38	21%	0.207	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.8	177	-67.5	179.6	71.2	0	0	109.5	S71 Y72 T92 T94 I98 E104 Y105	S71-M96 CarbonylContact C-O 3.53Å; S71-M96 VanDerWaalsContact CA-O 3.25Å; S71-M96 WeakPolarHBondContact CA-O 3.26Å; Y72-M96 PolarHBondContact N-O 2.96Å; Y72-M96 PolarHBondContact O-N 3.16Å; T92-M96 HydrophobicContact CG2-CG 4.22Å; T92-M96 HydrophobicContact CG2-SD 3.79Å; T94-M96 PolarHBondContact O-N 3.34Å; M96-I98 PolarHBondContact O-N 2.76Å; M96-I98 VanDerWaalsContact O-N 3.14Å; M96-E104 WeakPolarHBondContact CE-OE2 3.32Å; M96-Y105 HydrophobicContact SD-CE2 3.77Å
97	N	97.8	Very high	97.2	Very high	77 Å²	77	35.6 Å²	35.6	41%	0.412	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	122.7	168.2	-74	-26.8	0	0	0	108.8	N69 S71 H99 S100 G101	N69-N97 PolarHBondContact O-OD1 2.89Å; S71-N97 PolarHBondContact OG-N 3.14Å; S71-N97 PolarHBondContact OG-OD1 3.43Å; N97-H99 PolarHBondContact O-N 2.96Å; N97-H99 VanDerWaalsContact O-N 3.16Å; N97-S100 PolarHBondContact O-N 3.2Å; N97-S100 VanDerWaalsContact O-N 3.16Å; N97-S100 PolarHBondContact O-OG 3.37Å; N97-G101 PolarHBondContact O-N 3.03Å
98	I	97.2	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-30.2	-170.7	47.7	-177	0	0	0	113.2	M43 F67 P68 N69 S70 Y72 L74 M96 L102 L133	M43-I98 HydrophobicContact CE-CD1 3.8Å; F67-I98 HydrophobicContact CD2-CD1 4.09Å; F67-I98 HydrophobicContact CD2-CG1 4.48Å; F67-I98 HydrophobicContact CE2-CG1 4.47Å; P68-I98 HydrophobicContact CG-CD1 4.39Å; P68-I98 WeakPolarHBondContact O-CD1 3.48Å; P68-I98 VanDerWaalsContact O-CG1 3.26Å; P68-I98 WeakPolarHBondContact O-CG1 3.36Å; N69-I98 PolarHBondContact OD1-N 2.98Å; S70-I98 WeakPolarHBondContact O-CG1 3.45Å; S70-I98 WeakPolarHBondContact O-CG2 3.46Å; S70-I98 PolarHBondContact O-N 2.69Å; Y72-I98 HydrophobicContact CD2-CG2 3.79Å; Y72-I98 HydrophobicContact CG-CG2 4.5Å; L74-I98 HydrophobicContact CD2-CG2 4.18Å; M96-I98 PolarHBondContact O-N 2.76Å; M96-I98 VanDerWaalsContact O-N 3.14Å; I98-L102 WeakPolarHBondContact O-CB 3.45Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 2.88Å; I98-L133 HydrophobicContact CG2-CD1 4.48Å; I98-L133 HydrophobicContact CG2-CD2 3.95Å
99	H	97.7	Very high	97.3	Very high	25 Å²	25	35.6 Å²	35.6	12%	0.116	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-49.4	176.3	-64.9	-172.1	0	0	0	112	F46 P64 F67 P68 N69 N97 R103	F46-H99 WeakPolarHBondContact CE1-O 3.26Å; P64-H99 HydrophobicContact CG-CB 4.45Å; P64-H99 PolarHBondContact O-CE1 3.24Å; F67-H99 AromaticContact CD2-CD2 3.91Å; F67-H99 AromaticContact CD2-NE2 3.89Å; F67-H99 AromaticContact CE2-CD2 3.5Å; F67-H99 VanDerWaalsContact CE2-CD2 3.5Å; F67-H99 WeakPolarHBondContact CE2-CD2 3.29Å; F67-H99 AromaticContact CE2-NE2 3.9Å; F67-H99 PolarHBondContact O-NE2 3.11Å; F67-H99 VanDerWaalsContact O-NE2 3.15Å; P68-H99 PolarHBondContact O-CD2 2.77Å; P68-H99 PolarHBondContact O-NE2 2.73Å; P68-H99 VanDerWaalsContact O-NE2 3.09Å; N69-H99 WeakPolarHBondContact OD1-CB 3.47Å; N69-H99 PolarHBondContact OD1-CD2 3.34Å; N69-H99 VanDerWaalsContact OD1-CD2 3.25Å; N69-H99 PolarHBondContact OD1-N 2.77Å; N97-H99 PolarHBondContact O-N 2.96Å; N97-H99 VanDerWaalsContact O-N 3.16Å; H99-R103 WeakPolarHBondContact O-CB 3.26Å; H99-R103 PolarHBondContact O-N 2.82Å
100	S	97.9	Very high	97.4	Very high	57 Å²	57	34.8 Å²	34.8	40%	0.399	19%	0.193	S	C	.	.	H	α-helix	trans	-72.5	-41.9	179	51.2	0	0	0	0	111.6	N97 R103 E104	N97-S100 PolarHBondContact O-N 3.2Å; N97-S100 VanDerWaalsContact O-N 3.16Å; N97-S100 PolarHBondContact O-OG 3.37Å; S100-R103 PolarHBondContact O-N 2.97Å; S100-E104 WeakPolarHBondContact O-CB 3.3Å; S100-E104 PolarHBondContact O-N 3.37Å
101	G	98	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-43.8	-179.4	0	0	0	0	0	112.4	N97 R103 E104 Y105	N97-G101 PolarHBondContact O-N 3.03Å; G101-R103 PolarHBondContact O-N 3.23Å; G101-E104 PolarHBondContact O-N 3.25Å; G101-Y105 WeakPolarHBondContact O-CB 3.2Å; G101-Y105 VanDerWaalsContact O-CD2 3.24Å; G101-Y105 WeakPolarHBondContact O-CD2 3.27Å; G101-Y105 PolarHBondContact O-N 2.98Å
102	L	98.4	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-38.2	176.6	-69.3	176.7	0	0	0	112.3	M43 F46 F67 L74 V76 I98 A106 V131	M43-L102 HydrophobicContact CB-CD1 3.68Å; M43-L102 HydrophobicContact CG-CD1 3.89Å; M43-L102 HydrophobicContact SD-CD1 4.44Å; F46-L102 HydrophobicContact CD1-CB 4Å; F46-L102 HydrophobicContact CE1-CB 4.14Å; F67-L102 HydrophobicContact CE2-CD1 3.89Å; F67-L102 HydrophobicContact CZ-CD1 3.92Å; L74-L102 HydrophobicContact CD1-CD2 4.2Å; L74-L102 HydrophobicContact CD2-CD2 4.2Å; L74-L102 HydrophobicContact CD2-CG 4.3Å; V76-L102 HydrophobicContact CG2-CD2 3.95Å; I98-L102 WeakPolarHBondContact O-CB 3.45Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 2.88Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 2.98Å; L102-V131 HydrophobicContact CD2-CB 4.37Å; L102-V131 HydrophobicContact CD2-CG1 3.64Å; L102-V131 HydrophobicContact CD2-CG2 3.79Å
103	R	98.3	Very high	97.7	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-51.3	174.6	-178.2	-172.7	-55.7	-78.3	0.7	111.2	F46 V50 P60 P61 P62 H99 S100 G101 I107	F46-R103 HydrophobicContact CE1-CB 4.06Å; F46-R103 HydrophobicContact CZ-CB 4.16Å; V50-R103 HydrophobicContact CG1-CG 4.23Å; V50-R103 HydrophobicContact CG2-CB 4.33Å; V50-R103 HydrophobicContact CG2-CG 4.1Å; P60-R103 VanDerWaalsContact CB-NH1 3.3Å; P61-R103 PolarHBondContact O-NH1 3.19Å; P61-R103 PolarHBondContact O-NH2 2.95Å; P62-R103 PolarHBondContact O-NH2 3.07Å; H99-R103 WeakPolarHBondContact O-CB 3.26Å; H99-R103 PolarHBondContact O-N 2.82Å; S100-R103 PolarHBondContact O-N 2.97Å; G101-R103 PolarHBondContact O-N 3.23Å; R103-I107 PolarHBondContact O-N 3.05Å
104	E	98.4	Very high	97.8	Very high	82 Å²	82	43 Å²	43	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-50.7	-179.1	178.6	176.4	164	0	0	111.3	M96 S100 G101 I107 N108	M96-E104 WeakPolarHBondContact CE-OE2 3.32Å; S100-E104 WeakPolarHBondContact O-CB 3.3Å; S100-E104 PolarHBondContact O-N 3.37Å; G101-E104 PolarHBondContact O-N 3.25Å; E104-I107 PolarHBondContact O-N 2.96Å; E104-N108 VanDerWaalsContact CG-ND2 3.33Å; E104-N108 WeakPolarHBondContact CG-ND2 3.37Å; E104-N108 WeakPolarHBondContact O-CB 3.25Å; E104-N108 VanDerWaalsContact O-CG 3.29Å; E104-N108 PolarHBondContact O-N 3.42Å; E104-N108 PolarHBondContact OE1-ND2 2.88Å
105	Y	98.6	Very high	97.7	Very high	27 Å²	27	44.6 Å²	44.6	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-77.6	-21.3	-175	-72.4	-64.9	0	0	0	113.7	L74 I90 T92 M96 G101 N108 S109	L74-Y105 HydrophobicContact CD1-CD2 3.62Å; L74-Y105 HydrophobicContact CD1-CG 4.08Å; L74-Y105 HydrophobicContact CG-CD2 4.42Å; I90-Y105 HydrophobicContact CB-CD1 4.29Å; I90-Y105 HydrophobicContact CG2-CD1 3.7Å; I90-Y105 HydrophobicContact CG2-CE1 3.78Å; T92-Y105 WeakPolarHBondContact CB-OH 3.15Å; T92-Y105 HydrophobicContact CG2-CD2 4.37Å; T92-Y105 HydrophobicContact CG2-CE2 3.52Å; M96-Y105 HydrophobicContact SD-CE2 3.77Å; G101-Y105 WeakPolarHBondContact O-CB 3.2Å; G101-Y105 VanDerWaalsContact O-CD2 3.24Å; G101-Y105 WeakPolarHBondContact O-CD2 3.27Å; G101-Y105 PolarHBondContact O-N 2.98Å; Y105-N108 HydrophobicContact CD1-CB 4.31Å; Y105-S109 WeakPolarHBondContact O-CB 3.35Å; Y105-S109 PolarHBondContact O-N 3.26Å; Y105-S109 PolarHBondContact O-OG 3.46Å
106	A	98.7	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-48.8	167.1	0	0	0	0	0	111	C47 V50 W78 L102 S109 A110	C47-A106 HydrophobicContact CB-CB 3.92Å; V50-A106 HydrophobicContact CB-CB 4.23Å; V50-A106 HydrophobicContact CG1-CB 3.9Å; W78-A106 HydrophobicContact CZ2-CB 4.36Å; W78-A106 PolarHBondContact NE1-O 3.16Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 2.98Å; A106-S109 PolarHBondContact O-OG 2.96Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.34Å; A106-A110 PolarHBondContact O-N 3.37Å
107	I	98.5	Very high	97.9	Very high	28 Å²	28	46.9 Å²	46.9	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-47.2	177.5	-59.9	-53.9	0	0	0	111.5	V50 H54 R103 E104 S109 A110 M111	V50-I107 HydrophobicContact CG1-CD1 3.54Å; V50-I107 HydrophobicContact CG1-CG1 3.6Å; H54-I107 HydrophobicContact CB-CD1 3.45Å; H54-I107 VanDerWaalsContact CB-CD1 3.45Å; R103-I107 PolarHBondContact O-N 3.05Å; E104-I107 PolarHBondContact O-N 2.96Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.41Å; I107-A110 PolarHBondContact O-N 3.19Å; I107-M111 HydrophobicContact CG2-CB 4.28Å; I107-M111 HydrophobicContact CG2-CG 4.06Å; I107-M111 VanDerWaalsContact O-CB 3.31Å; I107-M111 WeakPolarHBondContact O-CB 3.42Å; I107-M111 WeakPolarHBondContact O-CG 3.36Å; I107-M111 PolarHBondContact O-N 3.41Å
108	N	98.6	Very high	97.9	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-40.1	-176.8	-71.3	-14.3	0	0	0	111.6	I90 E104 Y105 K112 D113	I90-N108 HydrophobicContact CG2-CB 4.33Å; E104-N108 VanDerWaalsContact CG-ND2 3.33Å; E104-N108 WeakPolarHBondContact CG-ND2 3.37Å; E104-N108 WeakPolarHBondContact O-CB 3.25Å; E104-N108 VanDerWaalsContact O-CG 3.29Å; E104-N108 PolarHBondContact O-N 3.42Å; E104-N108 PolarHBondContact OE1-ND2 2.88Å; Y105-N108 HydrophobicContact CD1-CB 4.31Å; N108-K112 CarbonylContact O-C 3.59Å; N108-K112 WeakPolarHBondContact O-CA 3.41Å; N108-K112 PolarHBondContact O-N 3.08Å; N108-K112 WeakPolarHBondContact OD1-CD 3.47Å; N108-K112 PolarHBondContact OD1-NZ 3.4Å; N108-K112 VanDerWaalsContact OD1-NZ 3.08Å; N108-D113 PolarHBondContact O-N 3.13Å; N108-D113 VanDerWaalsContact O-N 3.15Å
109	S	98.5	Very high	98	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-71.3	-30.4	176.8	62.2	0	0	0	0	113.6	V76 W78 G88 Y105 A106 I107	V76-S109 WeakPolarHBondContact O-CB 3.24Å; W78-S109 PolarHBondContact NE1-OG 3.42Å; G88-S109 VanDerWaalsContact CA-O 3.25Å; G88-S109 WeakPolarHBondContact CA-O 3.04Å; Y105-S109 WeakPolarHBondContact O-CB 3.35Å; Y105-S109 PolarHBondContact O-N 3.26Å; Y105-S109 PolarHBondContact O-OG 3.46Å; A106-S109 PolarHBondContact O-OG 2.96Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.41Å
110	A	98.6	Very high	98	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-83.1	-35.7	178.3	0	0	0	0	0	113.7	L51 A106 I107 I119	L51-A110 HydrophobicContact CD1-CB 3.63Å; L51-A110 HydrophobicContact CD2-CB 4.33Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.34Å; A106-A110 PolarHBondContact O-N 3.37Å; I107-A110 PolarHBondContact O-N 3.19Å; A110-I119 HydrophobicContact CB-CB 4.39Å; A110-I119 HydrophobicContact CB-CD1 3.82Å; A110-I119 HydrophobicContact CB-CG1 4.32Å; A110-I119 PolarHBondContact O-N 3.45Å
111	M	98.2	Very high	98	Very high	43 Å²	43	49.7 Å²	49.7	21%	0.212	26%	0.255	C	S	.	.	H	α-helix	trans	-118.2	-19.6	-164.2	-51.6	-52.8	-75.3	0	0	114.1	L51 L55 I107 P118	L51-M111 HydrophobicContact CD1-SD 4.33Å; L55-M111 HydrophobicContact CD2-CE 4.36Å; I107-M111 HydrophobicContact CG2-CB 4.28Å; I107-M111 HydrophobicContact CG2-CG 4.06Å; I107-M111 VanDerWaalsContact O-CB 3.31Å; I107-M111 WeakPolarHBondContact O-CB 3.42Å; I107-M111 WeakPolarHBondContact O-CG 3.36Å; I107-M111 PolarHBondContact O-N 3.41Å; M111-P118 HydrophobicContact CE-CB 3.58Å; M111-P118 HydrophobicContact SD-CB 4.03Å
112	K	98	Very high	98	Very high	144 Å²	144	56.5 Å²	56.5	63%	0.626	29%	0.287	S	S	*	.			trans	-127.9	8.4	-171.5	-53.6	-174.1	-166.9	157	0	113.9	N108 S114	N108-K112 CarbonylContact O-C 3.59Å; N108-K112 WeakPolarHBondContact O-CA 3.41Å; N108-K112 PolarHBondContact O-N 3.08Å; N108-K112 WeakPolarHBondContact OD1-CD 3.47Å; N108-K112 PolarHBondContact OD1-NZ 3.4Å; N108-K112 VanDerWaalsContact OD1-NZ 3.08Å; K112-S114 PolarHBondContact O-N 3.49Å; K112-S114 VanDerWaalsContact O-N 3.13Å
113	D	97.7	Very high	98	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	29%	0.293	C	S	.	.			trans	-74.9	100	171.6	-170.8	-21.3	0	0	0	109.2	G88 C89 I90 N108 R115 F116	G88-D113 WeakPolarHBondContact CA-OD2 3.25Å; C89-D113 PolarHBondContact N-OD2 2.99Å; I90-D113 HydrophobicContact CD1-CB 4.08Å; I90-D113 HydrophobicContact CG1-CB 3.91Å; N108-D113 PolarHBondContact O-N 3.13Å; N108-D113 VanDerWaalsContact O-N 3.15Å; D113-R115 PolarHBondContact O-N 3.06Å; D113-R115 WeakPolarHBondContact OD1-CB 3.41Å; D113-R115 WeakPolarHBondContact OD1-CG 3.35Å; D113-R115 IonicContact OD1-CZ 3.14Å; D113-R115 PolarHBondContact OD1-N 2.84Å; D113-R115 IonicContact OD1-NE 3.06Å; D113-R115 PolarHBondContact OD1-NE 2.86Å; D113-R115 IonicContact OD1-NH2 3.95Å; D113-R115 IonicContact OD2-CZ 2.72Å; D113-R115 IonicContact OD2-NE 3.36Å; D113-R115 PolarHBondContact OD2-NE 3.48Å; D113-R115 IonicContact OD2-NH2 3.62Å; D113-R115 PolarHBondContact OD2-NH2 3.34Å; D113-F116 HydrophobicContact CB-CD2 4.09Å; D113-F116 PolarHBondContact O-N 3.27Å
114	S	96.6	Very high	97.9	Very high	121 Å²	121	55.5 Å²	55.5	85%	0.846	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-8.6	-173	69.7	0	0	0	0	115.1	K112	K112-S114 PolarHBondContact O-N 3.49Å; K112-S114 VanDerWaalsContact O-N 3.13Å
115	R	94.8	Very high	97.9	Very high	134 Å²	134	54.5 Å²	54.5	51%	0.506	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-17	173.1	-61.2	175.6	-67.9	178.1	-5.5	112.4	C89 D113	C89-R115 PolarHBondContact O-NH2 3.45Å; D113-R115 PolarHBondContact O-N 3.06Å; D113-R115 WeakPolarHBondContact OD1-CB 3.41Å; D113-R115 WeakPolarHBondContact OD1-CG 3.35Å; D113-R115 IonicContact OD1-CZ 3.14Å; D113-R115 PolarHBondContact OD1-N 2.84Å; D113-R115 IonicContact OD1-NE 3.06Å; D113-R115 PolarHBondContact OD1-NE 2.86Å; D113-R115 IonicContact OD1-NH2 3.95Å; D113-R115 IonicContact OD2-CZ 2.72Å; D113-R115 IonicContact OD2-NE 3.36Å; D113-R115 PolarHBondContact OD2-NE 3.48Å; D113-R115 IonicContact OD2-NH2 3.62Å; D113-R115 PolarHBondContact OD2-NH2 3.34Å
116	F	97.7	Very high	97.9	Very high	62 Å²	62	56.6 Å²	56.6	27%	0.272	30%	0.298	S	S	.	.	S	Bend	trans	-135.6	155.3	-174.3	-46.5	-81	0	0	0	110.7	L86 R87 D113	L86-F116 HydrophobicContact CB-CZ 4.36Å; L86-F116 HydrophobicContact CD2-CE2 4.44Å; L86-F116 HydrophobicContact CD2-CZ 3.93Å; L86-F116 HydrophobicContact CG-CE2 4.29Å; L86-F116 HydrophobicContact CG-CZ 3.78Å; L86-F116 WeakPolarHBondContact O-CE1 3.38Å; R87-F116 VanDerWaalsContact NH1-CB 3.25Å; R87-F116 WeakPolarHBondContact O-CD2 3.18Å; R87-F116 WeakPolarHBondContact O-CG 3.12Å; D113-F116 HydrophobicContact CB-CD2 4.09Å; D113-F116 PolarHBondContact O-N 3.27Å
117	S	97.9	Very high	97.9	Very high	83 Å²	83	56.6 Å²	56.6	58%	0.58	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-65.9	157.2	162.6	50.8	0	0	0	0	109.9	R87 I119	R87-S117 VanDerWaalsContact CZ-O 3.32Å; R87-S117 PolarHBondContact NH1-O 2.93Å; R87-S117 PolarHBondContact NH2-O 3.28Å; R87-S117 PolarHBondContact NH2-OG 2.82Å; S117-I119 PolarHBondContact O-N 2.81Å
118	P	98.4	Very high	97.9	Very high	67 Å²	67	55.7 Å²	55.7	44%	0.435	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-52.7	143.2	172.4	-25.2	34.5	0	0	0	112	R87 M111	R87-P118 PolarHBondContact NH2-O 2.93Å; M111-P118 HydrophobicContact CE-CB 3.58Å; M111-P118 HydrophobicContact SD-CB 4.03Å
119	I	98.6	Very high	97.9	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.1	137.5	174.1	-70.4	178.8	0	0	0	109.6	L51 L55 W78 R87 A110 S117 E123 L127	L51-I119 HydrophobicContact CD2-CG2 4.38Å; L55-I119 WeakPolarHBondContact CD2-O 3.38Å; W78-I119 HydrophobicContact CB-CD1 3.79Å; W78-I119 HydrophobicContact CD2-CD1 4.32Å; W78-I119 HydrophobicContact CG-CD1 3.76Å; R87-I119 HydrophobicContact CG-CD1 3.96Å; R87-I119 HydrophobicContact CG-CG1 3.86Å; A110-I119 HydrophobicContact CB-CB 4.39Å; A110-I119 HydrophobicContact CB-CD1 3.82Å; A110-I119 HydrophobicContact CB-CG1 4.32Å; A110-I119 PolarHBondContact O-N 3.45Å; S117-I119 PolarHBondContact O-N 2.81Å; I119-E123 HydrophobicContact CG2-CB 4.24Å; I119-L127 HydrophobicContact CD1-CD1 4.26Å; I119-L127 HydrophobicContact CD1-CD2 4.11Å; I119-L127 HydrophobicContact CG2-CD1 3.7Å; I119-L127 HydrophobicContact CG2-CD2 4.44Å
120	T	97.9	Very high	97.9	Very high	57 Å²	57	54.7 Å²	54.7	35%	0.35	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-99.4	166.5	179.2	80.2	0	0	0	0	113.3	E122 E123 F124	T120-E122 VanDerWaalsContact C-N 3.29Å; T120-E122 WeakPolarHBondContact CB-OE2 3.49Å; T120-E122 PolarHBondContact O-N 2.89Å; T120-E122 PolarHBondContact OG1-N 3.21Å; T120-E122 PolarHBondContact OG1-OE2 3.01Å; T120-E123 PolarHBondContact N-OE2 2.88Å; T120-E123 VanDerWaalsContact N-OE2 3.13Å; T120-E123 PolarHBondContact O-N 2.91Å; T120-E123 PolarHBondContact OG1-N 3.26Å; T120-F124 PolarHBondContact O-N 3.19Å
121	E	97.4	Very high	97.9	Very high	91 Å²	91	54.5 Å²	54.5	43%	0.425	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-38.7	174.4	-73	-172.8	-167.7	0	0	112.4	L55 H56 E123 F124	L55-E121 HydrophobicContact CB-CG 3.82Å; L55-E121 HydrophobicContact CD1-CG 4.39Å; L55-E121 HydrophobicContact CG-CG 4.47Å; L55-E121 VanDerWaalsContact O-OE1 3.12Å; H56-E121 VanDerWaalsContact CE1-CD 3.41Å; H56-E121 IonicContact CE1-OE1 3.57Å; H56-E121 IonicContact CE1-OE2 3.29Å; H56-E121 PolarHBondContact CE1-OE2 2.85Å; H56-E121 VanDerWaalsContact CE1-OE2 3.29Å; H56-E121 IonicContact ND1-OE1 3.16Å; H56-E121 PolarHBondContact ND1-OE1 2.95Å; H56-E121 VanDerWaalsContact ND1-OE1 3.16Å; H56-E121 IonicContact ND1-OE2 3.59Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 2.93Å; E121-F124 VanDerWaalsContact O-CB 3.26Å; E121-F124 WeakPolarHBondContact O-CB 3.39Å; E121-F124 PolarHBondContact O-N 3.27Å
122	E	97.7	Very high	97.8	Very high	143 Å²	143	52.5 Å²	52.5	67%	0.668	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.3	179.6	-56.2	80.5	-175.4	0	0	112.3	T120 F124 P125	T120-E122 VanDerWaalsContact C-N 3.29Å; T120-E122 WeakPolarHBondContact CB-OE2 3.49Å; T120-E122 PolarHBondContact O-N 2.89Å; T120-E122 PolarHBondContact OG1-N 3.21Å; T120-E122 PolarHBondContact OG1-OE2 3.01Å; E122-F124 VanDerWaalsContact C-N 3.34Å; E122-P125 WeakPolarHBondContact O-CD 3.23Å
123	E	98	Very high	97.8	Very high	29 Å²	29	45.6 Å²	45.6	14%	0.136	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-28.7	176.9	-67.9	-175.2	94.9	0	0	112.1	Y80 R87 I119 T120 E121 P125 N126	Y80-E123 HydrophobicContact CD2-CB 4.05Å; Y80-E123 HydrophobicContact CD2-CG 4.37Å; Y80-E123 HydrophobicContact CE2-CB 3.77Å; Y80-E123 HydrophobicContact CE2-CG 3.92Å; R87-E123 IonicContact CZ-OE1 3.53Å; R87-E123 IonicContact CZ-OE2 2.79Å; R87-E123 IonicContact NE-OE1 3.17Å; R87-E123 PolarHBondContact NE-OE1 2.92Å; R87-E123 IonicContact NE-OE2 2.77Å; R87-E123 PolarHBondContact NE-OE2 3.5Å; R87-E123 IonicContact NH2-OE1 3.11Å; R87-E123 IonicContact NH2-OE2 2.91Å; R87-E123 PolarHBondContact NH2-OE2 3.45Å; I119-E123 HydrophobicContact CG2-CB 4.24Å; T120-E123 PolarHBondContact N-OE2 2.88Å; T120-E123 VanDerWaalsContact N-OE2 3.13Å; T120-E123 PolarHBondContact O-N 2.91Å; T120-E123 PolarHBondContact OG1-N 3.26Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 2.93Å; E123-P125 VanDerWaalsContact C-CD 3.46Å; E123-N126 PolarHBondContact O-N 3.25Å
124	F	98	Very high	97.7	Very high	15 Å²	15	45.4 Å²	45.4	7%	0.066	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-48.6	-47	-169.6	-172.3	-83.2	0	0	0	114.7	F48 L51 H52 L55 T120 E121 E122 N126 L127 A220 Y223 L224	F48-F124 HydrophobicContact CB-CZ 4.33Å; F48-F124 HydrophobicContact CD1-CE1 4.33Å; F48-F124 AromaticContact CD1-CE2 3.92Å; F48-F124 HydrophobicContact CD1-CE2 3.92Å; F48-F124 AromaticContact CD1-CZ 3.65Å; F48-F124 HydrophobicContact CD1-CZ 3.65Å; F48-F124 HydrophobicContact CE1-CZ 4.46Å; F48-F124 HydrophobicContact CG-CZ 4.44Å; L51-F124 HydrophobicContact CB-CE2 4.38Å; L51-F124 HydrophobicContact CD2-CD2 4.13Å; L51-F124 HydrophobicContact CD2-CE2 4.24Å; L51-F124 HydrophobicContact CG-CD2 4.24Å; L51-F124 HydrophobicContact CG-CE2 4.19Å; H52-F124 HydrophobicContact CB-CE2 3.89Å; H52-F124 HydrophobicContact CB-CZ 3.9Å; L55-F124 HydrophobicContact CD1-CB 4.45Å; L55-F124 HydrophobicContact CD1-CD2 3.84Å; T120-F124 PolarHBondContact O-N 3.19Å; E121-F124 VanDerWaalsContact O-CB 3.26Å; E121-F124 WeakPolarHBondContact O-CB 3.39Å; E121-F124 PolarHBondContact O-N 3.27Å; E122-F124 VanDerWaalsContact C-N 3.34Å; F124-N126 PolarHBondContact O-N 3.43Å; F124-N126 VanDerWaalsContact O-N 3.11Å; F124-L127 HydrophobicContact CD2-CD1 4.43Å; F124-L127 PolarHBondContact O-N 2.83Å; F124-A220 WeakPolarHBondContact O-CB 3.41Å; F124-Y223 HydrophobicContact CE1-CD1 4.25Å; F124-Y223 AromaticContact CE1-CE1 3.87Å; F124-Y223 HydrophobicContact CE1-CE1 3.87Å; F124-Y223 HydrophobicContact CZ-CD1 4.25Å; F124-Y223 AromaticContact CZ-CE1 3.68Å; F124-Y223 HydrophobicContact CZ-CE1 3.68Å; F124-L224 HydrophobicContact CE1-CD2 4.49Å
125	P	97.5	Very high	97.7	Very high	60 Å²	60	40.9 Å²	40.9	39%	0.39	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-65.4	-16.2	-177.7	-21.8	35.3	0	0	0	114.8	E122 E123 H219	E122-P125 WeakPolarHBondContact O-CD 3.23Å; E123-P125 VanDerWaalsContact C-CD 3.46Å; P125-H219 PolarHBondContact O-CE1 3.42Å
126	N	98.2	Very high	97.7	Very high	72 Å²	72	39.5 Å²	39.5	39%	0.385	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-110	12.1	-176.8	-60.6	-68.6	0	0	0	112.7	Y80 G81 E123 F124	Y80-N126 HydrophobicContact CD2-CB 3.89Å; Y80-N126 HydrophobicContact CE2-CB 3.46Å; Y80-N126 VanDerWaalsContact CE2-CB 3.46Å; G81-N126 PolarHBondContact N-O 3.44Å; E123-N126 PolarHBondContact O-N 3.25Å; F124-N126 PolarHBondContact O-N 3.43Å; F124-N126 VanDerWaalsContact O-N 3.11Å
127	L	98.6	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	147.9	177.4	-66.9	173.4	0	0	0	112	F48 L51 W78 T79 Y80 R87 I119 F124 A220	F48-L127 HydrophobicContact CE1-CB 4.13Å; L51-L127 HydrophobicContact CD2-CD1 3.81Å; W78-L127 HydrophobicContact CE3-CB 4.25Å; W78-L127 HydrophobicContact CE3-CD1 4.17Å; W78-L127 HydrophobicContact CZ3-CD1 4.43Å; T79-L127 CarbonylContact O-C 3.42Å; T79-L127 WeakPolarHBondContact O-CA 3.29Å; Y80-L127 HydrophobicContact CD2-CD2 4.06Å; R87-L127 HydrophobicContact CG-CD2 4.31Å; I119-L127 HydrophobicContact CD1-CD1 4.26Å; I119-L127 HydrophobicContact CD1-CD2 4.11Å; I119-L127 HydrophobicContact CG2-CD1 3.7Å; I119-L127 HydrophobicContact CG2-CD2 4.44Å; F124-L127 HydrophobicContact CD2-CD1 4.43Å; F124-L127 PolarHBondContact O-N 2.83Å; L127-A220 WeakPolarHBondContact O-CB 3.46Å; L127-A220 PolarHBondContact O-N 3.48Å
128	T	98.8	Very high	97.7	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.4	160.1	-63.1	0	0	0	0	108.9	W78 T79 V218 H219	W78-T128 WeakPolarHBondContact CA-O 3.21Å; T79-T128 PolarHBondContact N-O 2.76Å; T79-T128 PolarHBondContact O-N 2.87Å; T79-T128 WeakPolarHBondContact OG1-CB 3.49Å; T128-V218 CarbonylContact C-O 3.55Å; T128-V218 WeakPolarHBondContact CA-O 3.2Å; T128-H219 PolarHBondContact OG1-CD2 2.92Å; T128-H219 VanDerWaalsContact OG1-CD2 3.23Å
129	C	98.7	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.4	172.1	-169.5	0	0	0	0	109.1	C44 C47 F48 W78 S217 V218	C44-C129 HydrophobicContact CB-CB 4.24Å; C47-C129 WeakPolarHBondContact CB-SG 3.33Å; F48-C129 HydrophobicContact CD2-CB 3.93Å; F48-C129 HydrophobicContact CE1-CB 4.47Å; F48-C129 HydrophobicContact CE2-CB 3.42Å; F48-C129 VanDerWaalsContact CE2-CB 3.42Å; F48-C129 HydrophobicContact CZ-CB 3.73Å; W78-C129 HydrophobicContact CE3-CB 3.87Å; W78-C129 HydrophobicContact CH2-CB 3.86Å; W78-C129 HydrophobicContact CZ3-CB 3.39Å; C129-S217 CarbonylContact O-C 3.43Å; C129-S217 VanDerWaalsContact O-CA 3.27Å; C129-S217 WeakPolarHBondContact O-CA 3.29Å; C129-V218 PolarHBondContact N-O 3.07Å; C129-V218 PolarHBondContact O-N 3.22Å
130	S	98.5	Very high	97.6	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.028	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.2	170.6	-53.2	0	0	0	0	111.1	T77 C216 S217	T77-S130 PolarHBondContact N-O 3.17Å; T77-S130 PolarHBondContact O-N 3.22Å; S130-C216 CarbonylContact C-O 3.46Å; S130-C216 WeakPolarHBondContact CA-O 3.5Å; S130-S217 WeakPolarHBondContact CB-OG 3.47Å; S130-S217 WeakPolarHBondContact OG-CB 3.29Å; S130-S217 PolarHBondContact OG-OG 2.81Å
131	V	98.2	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127	172	172.2	0	0	0	0	108.5	V39 M43 L102 L133 K215 C216	V39-V131 HydrophobicContact CG1-CB 4.45Å; V39-V131 HydrophobicContact CG1-CG1 4.29Å; M43-V131 HydrophobicContact CB-CB 4.41Å; M43-V131 HydrophobicContact CB-CG1 4.26Å; M43-V131 HydrophobicContact CB-CG2 4.15Å; M43-V131 HydrophobicContact SD-CG1 4.23Å; L102-V131 HydrophobicContact CD2-CB 4.37Å; L102-V131 HydrophobicContact CD2-CG1 3.64Å; L102-V131 HydrophobicContact CD2-CG2 3.79Å; V131-L133 HydrophobicContact CG1-CD2 4.44Å; V131-K215 VanDerWaalsContact O-CA 3.29Å; V131-K215 WeakPolarHBondContact O-CA 3.19Å; V131-C216 PolarHBondContact N-O 3.5Å; V131-C216 PolarHBondContact O-N 3.38Å
132	S	97	Very high	97.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.3	174.7	-49.9	0	0	0	0	109.9	L74 F75 E214	L74-S132 CarbonylContact C-O 3.51Å; L74-S132 VanDerWaalsContact CA-O 3.23Å; L74-S132 WeakPolarHBondContact CA-O 3.39Å; F75-S132 PolarHBondContact N-O 3.49Å; F75-S132 PolarHBondContact O-N 3.35Å; S132-E214 CarbonylContact C-O 3.36Å; S132-E214 VanDerWaalsContact CA-O 3.3Å; S132-E214 WeakPolarHBondContact CA-O 3.43Å
133	L	97.1	Very high	97.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.7	171	-61.2	-175.9	0	0	0	108.9	V38 V39 M43 Y72 L74 I98 V131 S213 E214	V38-L133 HydrophobicContact CB-CD1 4.2Å; V38-L133 HydrophobicContact CG1-CD1 3.58Å; V39-L133 HydrophobicContact CG2-CB 3.93Å; V39-L133 HydrophobicContact CG2-CD1 3.7Å; V39-L133 HydrophobicContact CG2-CG 3.61Å; M43-L133 HydrophobicContact CE-CD1 4.34Å; M43-L133 HydrophobicContact SD-CD1 4.39Å; Y72-L133 HydrophobicContact CD2-CD1 3.96Å; Y72-L133 HydrophobicContact CE2-CD1 4.39Å; Y72-L133 HydrophobicContact CG-CD1 4.13Å; Y72-L133 HydrophobicContact CG-CD2 4.49Å; L74-L133 HydrophobicContact CB-CD2 3.58Å; L74-L133 HydrophobicContact CD2-CD2 4.4Å; I98-L133 HydrophobicContact CG2-CD1 4.48Å; I98-L133 HydrophobicContact CG2-CD2 3.95Å; V131-L133 HydrophobicContact CG1-CD2 4.44Å; L133-S213 WeakPolarHBondContact O-CA 3.44Å; L133-E214 PolarHBondContact N-O 3.45Å; L133-E214 PolarHBondContact O-N 3.37Å
134	L	96.5	Very high	97.6	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.3	-177.7	-46.7	-170.4	0	0	0	109.9	P73 F75 F93 F137 L170 Y211	P73-L134 HydrophobicContact CB-CB 4.11Å; P73-L134 HydrophobicContact CB-CD1 4.36Å; P73-L134 HydrophobicContact CB-CG 4.36Å; P73-L134 PolarHBondContact O-N 2.65Å; F75-L134 HydrophobicContact CD2-CD1 3.98Å; F75-L134 HydrophobicContact CD2-CD2 4.42Å; F75-L134 HydrophobicContact CD2-CG 4.34Å; F75-L134 HydrophobicContact CE2-CD1 3.81Å; F93-L134 HydrophobicContact CD1-CD1 4.05Å; F93-L134 HydrophobicContact CE1-CD1 3.53Å; F93-L134 HydrophobicContact CZ-CD1 3.78Å; L134-F137 HydrophobicContact CB-CE2 3.86Å; L134-F137 HydrophobicContact CB-CZ 3.55Å; L134-F137 HydrophobicContact CD1-CZ 4.11Å; L134-F137 HydrophobicContact CG-CZ 4.5Å; L134-L170 HydrophobicContact CD2-CD2 4.03Å; L134-Y211 HydrophobicContact CB-CD2 4.09Å; L134-Y211 HydrophobicContact CB-CE2 4.44Å; L134-Y211 HydrophobicContact CD1-CD2 4.23Å; L134-Y211 HydrophobicContact CD1-CE2 3.85Å; L134-Y211 HydrophobicContact CD2-CD2 4.04Å; L134-Y211 HydrophobicContact CD2-CE2 3.66Å; L134-Y211 HydrophobicContact CG-CD2 4.35Å; L134-Y211 HydrophobicContact CG-CE2 4.19Å
135	L	95.7	Very high	97.7	Very high	27 Å²	27	46.7 Å²	46.7	14%	0.141	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.2	-168.1	-56.8	173.1	0	0	0	110.3	Y72 F137 Y211 R212 E214	Y72-L135 HydrophobicContact CD1-CD2 3.51Å; Y72-L135 HydrophobicContact CE1-CD2 3.44Å; Y72-L135 VanDerWaalsContact CE1-CD2 3.44Å; L135-F137 PolarHBondContact O-N 2.85Å; L135-Y211 WeakPolarHBondContact O-CB 3.25Å; L135-R212 PolarHBondContact N-O 2.79Å; L135-R212 PolarHBondContact O-N 2.91Å; L135-R212 VanDerWaalsContact O-O 3.11Å; L135-E214 HydrophobicContact CD1-CB 4.16Å; L135-E214 HydrophobicContact CD1-CG 3.71Å
136	N	95	Very high	97.7	Very high	104 Å²	104	44.6 Å²	44.6	56%	0.556	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.9	55.9	168.1	-53	-21.4	0	0	0	113.1	E138	N136-E138 PolarHBondContact O-N 3.35Å
137	F	97.2	Very high	97.7	Very high	81 Å²	81	45.7 Å²	45.7	36%	0.355	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.3	174.8	-70.7	-93	0	0	0	110.3	P73 F93 L134 L135 T209 R210 Y211	P73-F137 HydrophobicContact CB-CZ 4.32Å; P73-F137 HydrophobicContact CG-CE2 3.81Å; P73-F137 HydrophobicContact CG-CZ 4.04Å; F93-F137 AromaticContact CD1-CE1 3.7Å; F93-F137 HydrophobicContact CD1-CE1 3.7Å; F93-F137 HydrophobicContact CD1-CZ 4.01Å; F93-F137 AromaticContact CE1-CE1 3.87Å; F93-F137 HydrophobicContact CE1-CE1 3.87Å; F93-F137 HydrophobicContact CE1-CZ 4.28Å; L134-F137 HydrophobicContact CB-CE2 3.86Å; L134-F137 HydrophobicContact CB-CZ 3.55Å; L134-F137 HydrophobicContact CD1-CZ 4.11Å; L134-F137 HydrophobicContact CG-CZ 4.5Å; L135-F137 PolarHBondContact O-N 2.85Å; F137-T209 HydrophobicContact CB-CG2 4.09Å; F137-T209 HydrophobicContact CD1-CG2 3.92Å; F137-R210 WeakPolarHBondContact CA-O 3.48Å; F137-Y211 HydrophobicContact CD1-CD1 4.15Å; F137-Y211 HydrophobicContact CD1-CG 4.22Å; F137-Y211 AromaticContact CE1-CD1 3.71Å; F137-Y211 HydrophobicContact CE1-CD1 3.71Å; F137-Y211 AromaticContact CE1-CG 3.79Å; F137-Y211 HydrophobicContact CE1-CG 3.79Å; F137-Y211 HydrophobicContact CZ-CD1 4.49Å; F137-Y211 HydrophobicContact CZ-CG 4.22Å
138	E	98.1	Very high	97.7	Very high	94 Å²	94	47.9 Å²	47.9	44%	0.439	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.8	178.5	-66	173.4	-167	0	0	109.4	N136 G140 T209 R210	N136-E138 PolarHBondContact O-N 3.35Å; E138-G140 PolarHBondContact O-N 2.94Å; E138-T209 CarbonylContact O-C 3.55Å; E138-T209 WeakPolarHBondContact O-CA 3.32Å; E138-T209 WeakPolarHBondContact O-CG2 3.47Å; E138-R210 HydrophobicContact CB-CG 3.95Å; E138-R210 PolarHBondContact N-O 2.91Å; E138-R210 WeakPolarHBondContact O-CG 3.13Å; E138-R210 PolarHBondContact O-N 2.77Å; E138-R210 IonicContact OE2-CZ 2.72Å; E138-R210 VanDerWaalsContact OE2-CZ 3.29Å; E138-R210 IonicContact OE2-NE 3.91Å; E138-R210 PolarHBondContact OE2-NE 2.82Å; E138-R210 IonicContact OE2-NH2 2.88Å; E138-R210 PolarHBondContact OE2-NH2 3.19Å
139	E	98	Very high	97.5	Very high	136 Å²	136	49.2 Å²	49.2	64%	0.636	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.4	171.2	-170.9	166.1	-178.2	0	0	110	R207	E139-R207 WeakPolarHBondContact OE1-CD 3.34Å
140	G	97.6	Very high	97.5	Very high	11 Å²	11	51.2 Å²	51.2	11%	0.113	26%	0.259	C	S	.	.			trans	-83	146	176.4	0	0	0	0	0	111.1	E138 N142 L208	E138-G140 PolarHBondContact O-N 2.94Å; G140-N142 PolarHBondContact O-N 3.14Å; G140-L208 PolarHBondContact N-O 3.09Å
141	K	97.7	Very high	97.5	Very high	191 Å²	191	52 Å²	52	83%	0.83	26%	0.262	S	S	*	.	S	Bend	trans	-64.2	-28.3	177.1	-65.2	171.3	-175.4	177.5	0	113.6	D145	K141-D145 HydrophobicContact CB-CB 4.29Å; K141-D145 WeakPolarHBondContact CB-OD2 3.42Å; K141-D145 WeakPolarHBondContact CG-OD2 3.29Å; K141-D145 PolarHBondContact N-OD2 2.86Å
142	N	97.7	Very high	97.4	Very high	56 Å²	56	52 Å²	52	30%	0.299	26%	0.263	S	S	.	.	S	Bend	trans	-161.1	-179.4	177.6	59.1	50.8	0	0	0	109.2	G140 Q144 D145	G140-N142 PolarHBondContact O-N 3.14Å; N142-Q144 PolarHBondContact O-N 3.32Å; N142-Q144 VanDerWaalsContact O-N 3.08Å; N142-Q144 WeakPolarHBondContact OD1-CA 3.49Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.38Å; N142-Q144 PolarHBondContact OD1-N 3.32Å; N142-D145 PolarHBondContact O-N 3.25Å; N142-D145 VanDerWaalsContact O-N 3.15Å; N142-D145 PolarHBondContact OD1-N 3.02Å
143	Y	98.2	Very high	97.5	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.016	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.6	-177.6	82.2	-93	0	0	0	115.1	W146 H181 C182 I185 E200 R203 L208	Y143-W146 VanDerWaalsContact O-CD1 3.29Å; Y143-W146 PolarHBondContact O-NE1 3.36Å; Y143-H181 HydrophobicContact CE2-CB 4.39Å; Y143-C182 PolarHBondContact OH-SG 2.99Å; Y143-I185 HydrophobicContact CD2-CB 4.32Å; Y143-I185 HydrophobicContact CD2-CG1 3.63Å; Y143-I185 HydrophobicContact CG-CG1 4.31Å; Y143-E200 VanDerWaalsContact CE1-OE1 3.29Å; Y143-E200 WeakPolarHBondContact CE1-OE1 3.33Å; Y143-E200 PolarHBondContact OH-OE2 3.09Å; Y143-R203 HydrophobicContact CD1-CB 3.67Å; Y143-R203 HydrophobicContact CD2-CB 4.48Å; Y143-R203 HydrophobicContact CE1-CB 3.75Å; Y143-R203 HydrophobicContact CG-CB 4.05Å; Y143-L208 WeakPolarHBondContact O-CD1 3.24Å
144	Q	98.3	Very high	97.5	Very high	88 Å²	88	55 Å²	55	41%	0.411	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.2	-179.2	-55.4	174.9	-77.7	0	0	112.7	N142 W146 H181	N142-Q144 PolarHBondContact O-N 3.32Å; N142-Q144 VanDerWaalsContact O-N 3.08Å; N142-Q144 WeakPolarHBondContact OD1-CA 3.49Å; N142-Q144 WeakPolarHBondContact OD1-CB 3.38Å; N142-Q144 PolarHBondContact OD1-N 3.32Å; Q144-W146 PolarHBondContact O-N 2.8Å; Q144-H181 HydrophobicContact CG-CB 4.26Å; Q144-H181 PolarHBondContact O-CD2 3.43Å; Q144-H181 VanDerWaalsContact O-CD2 3.3Å; Q144-H181 PolarHBondContact O-NE2 3.49Å
145	D	98.2	Very high	97.6	Very high	41 Å²	41	54.9 Å²	54.9	22%	0.219	27%	0.273	C	S	.	.			trans	-78.4	61	-173.6	-169.7	19.6	0	0	0	112.5	K141 N142 R210	K141-D145 HydrophobicContact CB-CB 4.29Å; K141-D145 WeakPolarHBondContact CB-OD2 3.42Å; K141-D145 WeakPolarHBondContact CG-OD2 3.29Å; K141-D145 PolarHBondContact N-OD2 2.86Å; N142-D145 PolarHBondContact O-N 3.25Å; N142-D145 VanDerWaalsContact O-N 3.15Å; N142-D145 PolarHBondContact OD1-N 3.02Å; D145-R210 PolarHBondContact O-NH1 2.93Å; D145-R210 IonicContact OD1-CZ 3.6Å; D145-R210 IonicContact OD1-NH1 2.73Å; D145-R210 PolarHBondContact OD1-NH1 3.41Å; D145-R210 IonicContact OD2-NH1 3.62Å; D145-R210 PolarHBondContact OD2-NH1 2.82Å
146	W	98.4	Very high	97.7	Very high	15 Å²	15	54.4 Å²	54.4	6%	0.057	27%	0.27	C	S	.	.	S	Bend	trans	-159.7	168.9	174.1	61.6	-80	0	0	0	109.4	Y143 Q144 I148 H151 I153 A174 H181 T184 R210	Y143-W146 VanDerWaalsContact O-CD1 3.29Å; Y143-W146 PolarHBondContact O-NE1 3.36Å; Q144-W146 PolarHBondContact O-N 2.8Å; W146-I148 HydrophobicContact CE3-CG1 4.34Å; W146-I148 HydrophobicContact CH2-CG1 3.57Å; W146-I148 HydrophobicContact CZ2-CG1 4.36Å; W146-I148 HydrophobicContact CZ3-CB 4.21Å; W146-I148 HydrophobicContact CZ3-CG1 3.59Å; W146-H151 HydrophobicContact CB-CB 4.06Å; W146-H151 HydrophobicContact CE3-CB 4.49Å; W146-I153 HydrophobicContact CB-CG2 4Å; W146-I153 HydrophobicContact CD2-CG2 3.47Å; W146-I153 VanDerWaalsContact CD2-CG2 3.47Å; W146-I153 HydrophobicContact CE3-CG2 3.79Å; W146-I153 HydrophobicContact CG-CG2 3.54Å; W146-I153 HydrophobicContact CH2-CD1 4.39Å; W146-I153 HydrophobicContact CZ2-CD1 3.96Å; W146-I153 HydrophobicContact CZ3-CG2 4.48Å; W146-A174 HydrophobicContact CH2-CB 3.82Å; W146-A174 HydrophobicContact CZ3-CB 4.13Å; W146-H181 AromaticContact CD1-CD2 3.87Å; W146-H181 AromaticContact CD2-CD2 3.99Å; W146-H181 AromaticContact CE2-CD2 3.41Å; W146-H181 VanDerWaalsContact CE2-CD2 3.41Å; W146-H181 HydrophobicContact CZ2-CB 4.45Å; W146-H181 AromaticContact CZ2-CD2 3.74Å; W146-H181 AromaticContact NE1-CD2 3.38Å; W146-H181 PolarHBondContact NE1-CD2 3.12Å; W146-H181 PolarHBondContact O-NE2 3.2Å; W146-T184 HydrophobicContact CH2-CG2 3.74Å; W146-T184 HydrophobicContact CZ2-CG2 3.89Å; W146-R210 HydrophobicContact CB-CB 4.05Å
147	Q	98.4	Very high	97.9	Very high	95 Å²	95	49.9 Å²	49.9	44%	0.444	25%	0.246	S	C	.	.			trans	-119.5	122.8	-174.6	-177.9	179.3	0.9	0	0	108.9	G149 V150 H151	Q147-G149 PolarHBondContact O-N 2.84Å; Q147-V150 HydrophobicContact CB-CB 4.03Å; Q147-V150 HydrophobicContact CG-CB 3.99Å; Q147-V150 HydrophobicContact CG-CG2 3.97Å; Q147-V150 PolarHBondContact O-N 2.59Å; Q147-V150 VanDerWaalsContact O-N 3.14Å; Q147-H151 PolarHBondContact N-ND1 3.15Å; Q147-H151 PolarHBondContact O-N 3.17Å
148	I	98.1	Very high	97.9	Very high	46 Å²	46	49.9 Å²	49.9	24%	0.236	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	134.3	179.2	-64.6	159	0	0	0	109.8	W146 V150 A174 W179	W146-I148 HydrophobicContact CE3-CG1 4.34Å; W146-I148 HydrophobicContact CH2-CG1 3.57Å; W146-I148 HydrophobicContact CZ2-CG1 4.36Å; W146-I148 HydrophobicContact CZ3-CB 4.21Å; W146-I148 HydrophobicContact CZ3-CG1 3.59Å; I148-V150 PolarHBondContact O-N 2.94Å; I148-A174 HydrophobicContact CG2-CB 4.21Å; I148-W179 WeakPolarHBondContact CD1-O 3.21Å
149	G	95.7	Very high	97.7	Very high	37 Å²	37	46 Å²	46	38%	0.381	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-3.9	-177.9	0	0	0	0	0	114.7	Q147	Q147-G149 PolarHBondContact O-N 2.84Å
150	V	97.4	Very high	97.4	Very high	43 Å²	43	43.6 Å²	43.6	26%	0.261	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-43.3	-178.8	172.2	0	0	0	0	111.5	Q147 I148 R212	Q147-V150 HydrophobicContact CB-CB 4.03Å; Q147-V150 HydrophobicContact CG-CB 3.99Å; Q147-V150 HydrophobicContact CG-CG2 3.97Å; Q147-V150 PolarHBondContact O-N 2.59Å; Q147-V150 VanDerWaalsContact O-N 3.14Å; I148-V150 PolarHBondContact O-N 2.94Å; V150-R212 VanDerWaalsContact CG1-NH1 3.26Å
151	H	98.3	Very high	97.3	Very high	20 Å²	20	50.1 Å²	50.1	9%	0.093	25%	0.248	C	C	.	.			trans	-107.1	135.9	-179.1	-62.1	137.2	0	0	0	111.2	W146 Q147 R210 Y211 R212	W146-H151 HydrophobicContact CB-CB 4.06Å; W146-H151 HydrophobicContact CE3-CB 4.49Å; Q147-H151 PolarHBondContact N-ND1 3.15Å; Q147-H151 PolarHBondContact O-N 3.17Å; H151-R210 HydrophobicContact CB-CB 4.13Å; H151-Y211 CarbonylContact C-O 3.58Å; H151-Y211 VanDerWaalsContact CA-O 3.29Å; H151-Y211 WeakPolarHBondContact CA-O 3.32Å; H151-R212 PolarHBondContact NE2-NH2 3.16Å
152	G	97.3	Very high	97.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	156.7	156.4	0	0	0	0	0	108.9	Y169 R210 Y211	G152-Y169 CarbonylContact C-O 3.55Å; G152-Y169 VanDerWaalsContact CA-O 3.3Å; G152-Y169 WeakPolarHBondContact CA-O 3.35Å; G152-R210 CarbonylContact O-C 3.58Å; G152-R210 WeakPolarHBondContact O-CA 3.41Å; G152-Y211 VanDerWaalsContact C-CE1 3.45Å; G152-Y211 PolarHBondContact N-O 3.24Å; G152-Y211 WeakPolarHBondContact O-CD1 3.23Å; G152-Y211 PolarHBondContact O-N 3.07Å
153	I	98.2	Very high	97.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.9	-178.9	59.6	171.1	0	0	0	110.9	W146 T168 Y169 T184 I185 L188 L208 T209	W146-I153 HydrophobicContact CB-CG2 4Å; W146-I153 HydrophobicContact CD2-CG2 3.47Å; W146-I153 VanDerWaalsContact CD2-CG2 3.47Å; W146-I153 HydrophobicContact CE3-CG2 3.79Å; W146-I153 HydrophobicContact CG-CG2 3.54Å; W146-I153 HydrophobicContact CH2-CD1 4.39Å; W146-I153 HydrophobicContact CZ2-CD1 3.96Å; W146-I153 HydrophobicContact CZ3-CG2 4.48Å; I153-T168 WeakPolarHBondContact O-CA 3.17Å; I153-T168 WeakPolarHBondContact O-CB 3.34Å; I153-T168 PolarHBondContact O-OG1 3.35Å; I153-Y169 PolarHBondContact N-O 3Å; I153-Y169 PolarHBondContact O-N 3Å; I153-T184 HydrophobicContact CD1-CG2 3.82Å; I153-I185 HydrophobicContact CD1-CD1 3.77Å; I153-L188 HydrophobicContact CD1-CD2 3.68Å; I153-L188 HydrophobicContact CG1-CD2 3.83Å; I153-L208 HydrophobicContact CB-CD1 4.3Å; I153-L208 HydrophobicContact CB-CG 4.45Å; I153-L208 HydrophobicContact CD1-CD1 4.41Å; I153-L208 HydrophobicContact CG2-CD1 4.13Å; I153-L208 HydrophobicContact CG2-CD2 4.24Å; I153-L208 HydrophobicContact CG2-CG 4.41Å; I153-T209 WeakPolarHBondContact CA-O 3.01Å
154	R	98	Very high	97	Very high	60 Å²	60	52.4 Å²	52.4	23%	0.226	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.2	166.4	176.3	174.8	175.2	-90.7	-3.6	107	F93 E156 A167 T209 Y211	F93-R154 HydrophobicContact CE1-CB 4.13Å; R154-E156 IonicContact CZ-OE1 3.35Å; R154-E156 IonicContact CZ-OE2 2.79Å; R154-E156 IonicContact NH1-OE1 3.38Å; R154-E156 PolarHBondContact NH1-OE1 3.5Å; R154-E156 IonicContact NH1-OE2 3.9Å; R154-E156 PolarHBondContact NH1-OE2 3.04Å; R154-E156 IonicContact NH2-OE2 3.74Å; R154-E156 PolarHBondContact NH2-OE2 3.5Å; R154-E156 VanDerWaalsContact NH2-OE2 3.11Å; R154-A167 WeakPolarHBondContact CA-O 3.38Å; R154-T209 PolarHBondContact N-O 2.96Å; R154-T209 PolarHBondContact O-N 3.4Å; R154-Y211 HydrophobicContact CB-CE1 4.45Å
155	I	98.2	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148	176.3	66.9	171.8	0	0	0	110.3	F157 T166 A167 I185 L188 L189 I206 R207 L208	I155-F157 HydrophobicContact CD1-CD1 3.95Å; I155-F157 HydrophobicContact CD1-CE1 3.95Å; I155-F157 HydrophobicContact CG1-CD1 4.05Å; I155-F157 HydrophobicContact CG1-CE1 4.15Å; I155-T166 VanDerWaalsContact O-CA 3.23Å; I155-T166 WeakPolarHBondContact O-CA 3.27Å; I155-A167 HydrophobicContact CG1-CB 4.2Å; I155-A167 PolarHBondContact N-O 2.71Å; I155-A167 PolarHBondContact O-N 3.13Å; I155-A167 VanDerWaalsContact O-N 3.08Å; I155-I185 HydrophobicContact CG2-CD1 3.96Å; I155-L188 HydrophobicContact CB-CD2 4.38Å; I155-L188 HydrophobicContact CD1-CB 3.96Å; I155-L188 HydrophobicContact CD1-CD2 3.84Å; I155-L188 HydrophobicContact CD1-CG 3.61Å; I155-L188 HydrophobicContact CG1-CD2 3.73Å; I155-L188 HydrophobicContact CG1-CG 3.83Å; I155-L188 HydrophobicContact CG2-CD2 3.89Å; I155-L189 HydrophobicContact CD1-CD2 3.8Å; I155-L189 HydrophobicContact CD1-CG 4.04Å; I155-I206 HydrophobicContact CB-CD1 4.39Å; I155-I206 HydrophobicContact CG2-CD1 3.89Å; I155-R207 CarbonylContact C-O 3.55Å; I155-R207 WeakPolarHBondContact CA-O 3.3Å; I155-L208 HydrophobicContact CG2-CB 4.45Å; I155-L208 HydrophobicContact CG2-CD1 4.1Å; I155-L208 HydrophobicContact CG2-CG 4.29Å
156	E	98.2	Very high	96.9	Very high	17 Å²	17	54.5 Å²	54.5	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.8	174.9	-57.9	-178.5	-93.4	0	0	108.3	R154 H164 R165 T166 R207	R154-E156 IonicContact CZ-OE1 3.35Å; R154-E156 IonicContact CZ-OE2 2.79Å; R154-E156 IonicContact NH1-OE1 3.38Å; R154-E156 PolarHBondContact NH1-OE1 3.5Å; R154-E156 IonicContact NH1-OE2 3.9Å; R154-E156 PolarHBondContact NH1-OE2 3.04Å; R154-E156 IonicContact NH2-OE2 3.74Å; R154-E156 PolarHBondContact NH2-OE2 3.5Å; R154-E156 VanDerWaalsContact NH2-OE2 3.11Å; E156-H164 IonicContact OE2-CE1 2.75Å; E156-H164 IonicContact OE2-NE2 3.4Å; E156-R165 WeakPolarHBondContact CA-O 3.42Å; E156-T166 HydrophobicContact CG-CG2 3.88Å; E156-R207 HydrophobicContact CB-CB 4.31Å; E156-R207 PolarHBondContact N-O 3.49Å; E156-R207 PolarHBondContact O-N 2.9Å; E156-R207 IonicContact OE1-CZ 3.4Å; E156-R207 IonicContact OE1-NE 3.51Å; E156-R207 PolarHBondContact OE1-NE 2.96Å; E156-R207 IonicContact OE1-NH2 2.64Å; E156-R207 PolarHBondContact OE1-NH2 3.18Å; E156-R207 IonicContact OE2-NH2 3.59Å; E156-R207 PolarHBondContact OE2-NH2 3.45Å; E156-R207 VanDerWaalsContact OE2-NH2 3.09Å
157	F	98	Very high	96.8	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	162.6	-174.9	62.5	-85.6	0	0	0	110.7	I155 N159 R165 L189 Y194 F202 I206	I155-F157 HydrophobicContact CD1-CD1 3.95Å; I155-F157 HydrophobicContact CD1-CE1 3.95Å; I155-F157 HydrophobicContact CG1-CD1 4.05Å; I155-F157 HydrophobicContact CG1-CE1 4.15Å; F157-N159 HydrophobicContact CE2-CB 4.31Å; F157-R165 HydrophobicContact CD1-CB 4.44Å; F157-R165 HydrophobicContact CD2-CB 4.16Å; F157-R165 HydrophobicContact CE1-CB 3.96Å; F157-R165 HydrophobicContact CE2-CB 3.64Å; F157-R165 HydrophobicContact CE2-CG 4.15Å; F157-R165 HydrophobicContact CZ-CB 3.54Å; F157-R165 HydrophobicContact CZ-CG 4.35Å; F157-R165 PolarHBondContact N-O 2.79Å; F157-R165 VanDerWaalsContact N-O 3.07Å; F157-R165 PolarHBondContact O-N 3.48Å; F157-L189 HydrophobicContact CB-CD2 4.26Å; F157-L189 HydrophobicContact CD1-CD2 3.56Å; F157-L189 HydrophobicContact CD2-CD2 3.83Å; F157-L189 HydrophobicContact CE1-CD2 3.72Å; F157-L189 HydrophobicContact CE2-CD2 3.99Å; F157-L189 HydrophobicContact CG-CD2 3.61Å; F157-L189 HydrophobicContact CZ-CD2 3.92Å; F157-Y194 HydrophobicContact CE2-CD2 4.49Å; F157-Y194 HydrophobicContact CE2-CG 4.5Å; F157-F202 HydrophobicContact CB-CZ 4.5Å; F157-F202 HydrophobicContact CD2-CZ 4.21Å; F157-I206 HydrophobicContact CB-CG2 4.35Å
158	V	97.2	Very high	96.7	Very high	81 Å²	81	50.6 Å²	50.6	49%	0.491	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126	172	-178.9	0	0	0	0	108.3	G162 Y163	V158-G162 VanDerWaalsContact CG1-C 3.49Å; V158-Y163 WeakPolarHBondContact CA-O 3.31Å
159	N	94.9	Very high	96.6	Very high	12 Å²	12	50 Å²	50	6%	0.064	26%	0.259	C	S	.	.			trans	-79.3	177.2	179.2	80.6	-8.6	0	0	0	112.4	F157 K161 G162 Y163 R165 Y194	F157-N159 HydrophobicContact CE2-CB 4.31Å; N159-K161 PolarHBondContact O-N 2.88Å; N159-K161 PolarHBondContact OD1-N 2.81Å; N159-K161 VanDerWaalsContact OD1-N 3.07Å; N159-G162 PolarHBondContact O-N 2.87Å; N159-G162 PolarHBondContact OD1-N 2.92Å; N159-Y163 PolarHBondContact N-O 2.82Å; N159-Y163 WeakPolarHBondContact OD1-CB 3.47Å; N159-Y163 PolarHBondContact OD1-N 3.01Å; N159-Y163 PolarHBondContact OD1-O 2.73Å; N159-R165 HydrophobicContact CB-CG 4.09Å; N159-Y194 HydrophobicContact CB-CD2 4.33Å
160	E	92.4	Very high	96.5	Very high	87 Å²	87	49.2 Å²	49.2	41%	0.407	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.7	-178.1	71.6	-68.3	155.6	0	0	114.6	R195	E160-R195 PolarHBondContact OE2-N 3.05Å
161	K	93.7	Very high	96.4	Very high	148 Å²	148	47.7 Å²	47.7	64%	0.643	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	6	176.9	-58.7	-174.7	-177.7	-174.2	0	113	N159 Y163	N159-K161 PolarHBondContact O-N 2.88Å; N159-K161 PolarHBondContact OD1-N 2.81Å; N159-K161 VanDerWaalsContact OD1-N 3.07Å; K161-Y163 VanDerWaalsContact C-N 3.31Å; K161-Y163 HydrophobicContact CB-CD2 3.54Å; K161-Y163 HydrophobicContact CB-CE2 3.58Å; K161-Y163 HydrophobicContact CD-CD2 4.38Å; K161-Y163 HydrophobicContact CD-CE2 4.05Å; K161-Y163 HydrophobicContact CG-CE2 4.46Å; K161-Y163 PolarHBondContact O-N 2.83Å
162	G	94.8	Very high	96.1	Very high	54 Å²	54	48.7 Å²	48.7	56%	0.557	24%	0.242	S	C	*	.	S	Bend	trans	79.6	6.8	-177.8	0	0	0	0	0	114.6	V158 N159	V158-G162 VanDerWaalsContact CG1-C 3.49Å; N159-G162 PolarHBondContact O-N 2.87Å; N159-G162 PolarHBondContact OD1-N 2.92Å
163	Y	96.3	Very high	95.9	Very high	134 Å²	134	50.4 Å²	50.4	53%	0.525	25%	0.252	S	S	.	.			trans	-85.8	133.6	179.7	-60.8	-59.1	0	0	0	111.6	V158 N159 K161 R165	V158-Y163 WeakPolarHBondContact CA-O 3.31Å; N159-Y163 PolarHBondContact N-O 2.82Å; N159-Y163 WeakPolarHBondContact OD1-CB 3.47Å; N159-Y163 PolarHBondContact OD1-N 3.01Å; N159-Y163 PolarHBondContact OD1-O 2.73Å; K161-Y163 VanDerWaalsContact C-N 3.31Å; K161-Y163 HydrophobicContact CB-CD2 3.54Å; K161-Y163 HydrophobicContact CB-CE2 3.58Å; K161-Y163 HydrophobicContact CD-CD2 4.38Å; K161-Y163 HydrophobicContact CD-CE2 4.05Å; K161-Y163 HydrophobicContact CG-CE2 4.46Å; K161-Y163 PolarHBondContact O-N 2.83Å; Y163-R165 PolarHBondContact O-N 3.05Å
164	H	97.4	Very high	95.8	Very high	110 Å²	110	50.4 Å²	50.4	51%	0.509	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	126.9	168.3	-171.9	-97	0	0	0	110.1	E156	E156-H164 IonicContact OE2-CE1 2.75Å; E156-H164 IonicContact OE2-NE2 3.4Å
165	R	97.4	Very high	95.7	Very high	105 Å²	105	54.1 Å²	54.1	40%	0.396	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.3	180	-65.4	-62.2	-178.4	-169.5	-1.6	109.7	E156 F157 N159 Y163 G192	E156-R165 WeakPolarHBondContact CA-O 3.42Å; F157-R165 HydrophobicContact CD1-CB 4.44Å; F157-R165 HydrophobicContact CD2-CB 4.16Å; F157-R165 HydrophobicContact CE1-CB 3.96Å; F157-R165 HydrophobicContact CE2-CB 3.64Å; F157-R165 HydrophobicContact CE2-CG 4.15Å; F157-R165 HydrophobicContact CZ-CB 3.54Å; F157-R165 HydrophobicContact CZ-CG 4.35Å; F157-R165 PolarHBondContact N-O 2.79Å; F157-R165 VanDerWaalsContact N-O 3.07Å; F157-R165 PolarHBondContact O-N 3.48Å; N159-R165 HydrophobicContact CB-CG 4.09Å; Y163-R165 PolarHBondContact O-N 3.05Å; R165-G192 WeakPolarHBondContact CG-O 3.17Å
166	T	96.7	Very high	95.5	Very high	68 Å²	68	61.1 Å²	61.1	42%	0.417	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.6	173.1	74.2	0	0	0	0	109.1	I155 E156	I155-T166 VanDerWaalsContact O-CA 3.23Å; I155-T166 WeakPolarHBondContact O-CA 3.27Å; E156-T166 HydrophobicContact CG-CG2 3.88Å
167	A	96.5	Very high	95.4	Very high	9 Å²	9	65.8 Å²	65.8	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.5	173.8	0	0	0	0	0	109.6	R154 I155 L188	R154-A167 WeakPolarHBondContact CA-O 3.38Å; I155-A167 HydrophobicContact CG1-CB 4.2Å; I155-A167 PolarHBondContact N-O 2.71Å; I155-A167 PolarHBondContact O-N 3.13Å; I155-A167 VanDerWaalsContact O-N 3.08Å; A167-L188 HydrophobicContact CB-CD1 3.47Å; A167-L188 VanDerWaalsContact CB-CD1 3.47Å; A167-L188 HydrophobicContact CB-CG 3.76Å; A167-L188 WeakPolarHBondContact CB-O 3.01Å
168	T	96.4	Very high	95.4	Very high	19 Å²	19	68.3 Å²	68.3	12%	0.117	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.7	176.4	-169.5	0	0	0	0	114	F75 F93 I153 L188 K191 Y211	F75-T168 HydrophobicContact CZ-CG2 4.43Å; F93-T168 HydrophobicContact CE2-CG2 3.33Å; F93-T168 VanDerWaalsContact CZ-CB 3.49Å; F93-T168 HydrophobicContact CZ-CG2 3.53Å; F93-T168 WeakPolarHBondContact CZ-OG1 3.25Å; I153-T168 WeakPolarHBondContact O-CA 3.17Å; I153-T168 WeakPolarHBondContact O-CB 3.34Å; I153-T168 PolarHBondContact O-OG1 3.35Å; T168-L188 VanDerWaalsContact C-CD1 3.49Å; T168-L188 WeakPolarHBondContact O-CD1 3.36Å; T168-K191 PolarHBondContact O-NZ 3.38Å; T168-Y211 PolarHBondContact OG1-OH 3.12Å
169	Y	96.1	Very high	95.4	Very high	34 Å²	34	67.3 Å²	67.3	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.5	158.7	-77.5	-42.5	0	0	0	110.3	G152 I153 V173 W179 T184 S187 L188 K191 Y211	G152-Y169 CarbonylContact C-O 3.55Å; G152-Y169 VanDerWaalsContact CA-O 3.3Å; G152-Y169 WeakPolarHBondContact CA-O 3.35Å; I153-Y169 PolarHBondContact N-O 3Å; I153-Y169 PolarHBondContact O-N 3Å; Y169-V173 HydrophobicContact CD1-CB 4.04Å; Y169-V173 HydrophobicContact CD1-CG1 3.54Å; Y169-V173 HydrophobicContact CD1-CG2 4.13Å; Y169-V173 HydrophobicContact CD2-CG1 4.38Å; Y169-V173 HydrophobicContact CE1-CG1 3.87Å; Y169-V173 HydrophobicContact CG-CB 4.09Å; Y169-V173 HydrophobicContact CG-CG1 3.84Å; Y169-W179 HydrophobicContact CD2-CZ3 4.34Å; Y169-W179 HydrophobicContact CE2-CE3 4.45Å; Y169-W179 HydrophobicContact CE2-CH2 4.48Å; Y169-W179 AromaticContact CE2-CZ3 3.65Å; Y169-W179 HydrophobicContact CE2-CZ3 3.65Å; Y169-W179 AromaticContact CZ-CZ3 3.87Å; Y169-T184 HydrophobicContact CD2-CG2 4.01Å; Y169-S187 PolarHBondContact OH-OG 2.82Å; Y169-L188 HydrophobicContact CD1-CD1 4.33Å; Y169-L188 HydrophobicContact CD2-CB 3.97Å; Y169-L188 HydrophobicContact CD2-CD1 3.62Å; Y169-L188 HydrophobicContact CD2-CD2 4.17Å; Y169-L188 HydrophobicContact CD2-CG 4.14Å; Y169-L188 HydrophobicContact CE1-CD1 4.39Å; Y169-L188 HydrophobicContact CE2-CB 3.75Å; Y169-L188 HydrophobicContact CE2-CD1 3.69Å; Y169-L188 HydrophobicContact CE2-CG 4.25Å; Y169-L188 HydrophobicContact CG-CD1 3.95Å; Y169-K191 HydrophobicContact CD1-CD 4.38Å; Y169-K191 HydrophobicContact CE1-CD 3.53Å; Y169-Y211 PolarHBondContact O-OH 3.28Å
170	L	93.8	Very high	95.6	Very high	20 Å²	20	68.5 Å²	68.5	11%	0.105	34%	0.342	C	S	.	.			trans	-69.9	159.9	171.6	-61.5	178.1	0	0	0	110.4	F75 L134 E172 V173 Y211	F75-L170 HydrophobicContact CD2-CD2 4.26Å; F75-L170 HydrophobicContact CG-CD2 4.38Å; L134-L170 HydrophobicContact CD2-CD2 4.03Å; L170-E172 VanDerWaalsContact CB-OE2 3.25Å; L170-E172 WeakPolarHBondContact CB-OE2 3.43Å; L170-E172 PolarHBondContact O-N 2.78Å; L170-E172 VanDerWaalsContact O-N 3.09Å; L170-V173 HydrophobicContact CB-CG2 4.27Å; L170-V173 PolarHBondContact O-N 3.38Å; L170-Y211 HydrophobicContact CD2-CE2 4.36Å
171	P	94.3	Very high	95.9	Very high	12 Å²	12	66.5 Å²	66.5	8%	0.078	33%	0.332	C	S	.	.	H	α-helix	trans	-52.9	-34.9	-173.3	-24.4	30.2	0	0	0	115.2	V173 S213	P171-V173 VanDerWaalsContact C-N 3.35Å; P171-V173 PolarHBondContact O-N 3.07Å; P171-S213 WeakPolarHBondContact CG-OG 3.39Å
172	E	92.2	Very high	96.1	Very high	41 Å²	41	60.2 Å²	60.2	19%	0.192	31%	0.306	C	S	.	.	H	α-helix	trans	-75.3	-20.2	-177	64.7	-95.2	-126.4	0	0	114	L170 K176 K215	L170-E172 VanDerWaalsContact CB-OE2 3.25Å; L170-E172 WeakPolarHBondContact CB-OE2 3.43Å; L170-E172 PolarHBondContact O-N 2.78Å; L170-E172 VanDerWaalsContact O-N 3.09Å; E172-K176 HydrophobicContact CB-CD 4.43Å; E172-K176 WeakPolarHBondContact O-CB 3.12Å; E172-K176 VanDerWaalsContact O-CG 3.29Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 2.72Å; E172-K215 IonicContact OE1-NZ 3.29Å; E172-K215 PolarHBondContact OE1-NZ 3.28Å
173	V	92.6	Very high	96.3	Very high	36 Å²	36	62 Å²	62	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-53.8	-166.5	179.3	0	0	0	0	111.5	Y169 L170 P171 Y175 K176 Q177 W179	Y169-V173 HydrophobicContact CD1-CB 4.04Å; Y169-V173 HydrophobicContact CD1-CG1 3.54Å; Y169-V173 HydrophobicContact CD1-CG2 4.13Å; Y169-V173 HydrophobicContact CD2-CG1 4.38Å; Y169-V173 HydrophobicContact CE1-CG1 3.87Å; Y169-V173 HydrophobicContact CG-CB 4.09Å; Y169-V173 HydrophobicContact CG-CG1 3.84Å; L170-V173 HydrophobicContact CB-CG2 4.27Å; L170-V173 PolarHBondContact O-N 3.38Å; P171-V173 VanDerWaalsContact C-N 3.35Å; P171-V173 PolarHBondContact O-N 3.07Å; V173-Y175 VanDerWaalsContact C-N 3.28Å; V173-Y175 PolarHBondContact O-N 2.94Å; V173-K176 PolarHBondContact O-N 3.05Å; V173-Q177 HydrophobicContact CG1-CG 4.44Å; V173-Q177 VanDerWaalsContact O-CG 3.25Å; V173-Q177 WeakPolarHBondContact O-CG 3.37Å; V173-Q177 PolarHBondContact O-N 3.09Å; V173-Q177 VanDerWaalsContact O-N 3.07Å; V173-W179 HydrophobicContact CG1-CZ3 4.32Å
174	A	96.9	Very high	96.4	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-40.9	-179.1	0	0	0	0	0	111.7	W146 I148 Q177 G178 W179 T184	W146-A174 HydrophobicContact CH2-CB 3.82Å; W146-A174 HydrophobicContact CZ3-CB 4.13Å; I148-A174 HydrophobicContact CG2-CB 4.21Å; A174-Q177 PolarHBondContact O-N 3.37Å; A174-G178 PolarHBondContact O-N 3.49Å; A174-G178 VanDerWaalsContact O-N 3.12Å; A174-W179 PolarHBondContact O-N 2.86Å; A174-T184 HydrophobicContact CB-CG2 3.89Å; A174-T184 WeakPolarHBondContact CB-OG1 3.4Å
175	Y	96	Very high	96.4	Very high	137 Å²	137	50.5 Å²	50.5	54%	0.537	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-49.7	177.6	174.7	-99.2	0	0	0	112.2	V173 Q177 G178	V173-Y175 VanDerWaalsContact C-N 3.28Å; V173-Y175 PolarHBondContact O-N 2.94Å; Y175-Q177 PolarHBondContact O-N 2.8Å; Y175-G178 PolarHBondContact O-N 3.33Å
176	K	94.3	Very high	96.5	Very high	147 Å²	147	47.4 Å²	47.4	64%	0.639	24%	0.243	S	C	*	.	H	α-helix	trans	-62.8	-30.3	179.2	-75.7	-173.5	-179.4	-164.4	0	113	E172 V173 G178	E172-K176 HydrophobicContact CB-CD 4.43Å; E172-K176 WeakPolarHBondContact O-CB 3.12Å; E172-K176 VanDerWaalsContact O-CG 3.29Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 2.72Å; V173-K176 PolarHBondContact O-N 3.05Å; K176-G178 VanDerWaalsContact C-N 3.32Å
177	Q	95.8	Very high	96.6	Very high	116 Å²	116	45.6 Å²	45.6	54%	0.542	23%	0.233	S	C	.	.	H	α-helix	trans	-83.6	-9.3	176.5	-62.5	-62.4	-36.6	0	0	113.1	V173 A174 Y175 W179	V173-Q177 HydrophobicContact CG1-CG 4.44Å; V173-Q177 VanDerWaalsContact O-CG 3.25Å; V173-Q177 WeakPolarHBondContact O-CG 3.37Å; V173-Q177 PolarHBondContact O-N 3.09Å; V173-Q177 VanDerWaalsContact O-N 3.07Å; A174-Q177 PolarHBondContact O-N 3.37Å; Y175-Q177 PolarHBondContact O-N 2.8Å; Q177-W179 HydrophobicContact CB-CD2 3.45Å; Q177-W179 VanDerWaalsContact CB-CD2 3.45Å; Q177-W179 VanDerWaalsContact CB-CE2 3.44Å; Q177-W179 HydrophobicContact CB-CE3 3.89Å; Q177-W179 HydrophobicContact CB-CG 3.75Å; Q177-W179 HydrophobicContact CB-CH2 4.24Å; Q177-W179 HydrophobicContact CB-CZ2 3.87Å; Q177-W179 HydrophobicContact CB-CZ3 4.26Å; Q177-W179 HydrophobicContact CG-CD2 4.08Å; Q177-W179 HydrophobicContact CG-CE3 4.11Å; Q177-W179 HydrophobicContact CG-CH2 3.79Å; Q177-W179 HydrophobicContact CG-CZ2 3.78Å; Q177-W179 HydrophobicContact CG-CZ3 3.97Å; Q177-W179 PolarHBondContact O-N 3.35Å
178	G	97.1	Very high	96.6	Very high	61 Å²	61	45.2 Å²	45.2	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	21.6	-174.1	0	0	0	0	0	113.6	A174 Y175 K176	A174-G178 PolarHBondContact O-N 3.49Å; A174-G178 VanDerWaalsContact O-N 3.12Å; Y175-G178 PolarHBondContact O-N 3.33Å; K176-G178 VanDerWaalsContact C-N 3.32Å
179	W	98.2	Very high	96.7	Very high	60 Å²	60	44.3 Å²	44.3	23%	0.227	22%	0.224	C	C	.	.			trans	-78.7	138.5	-177.7	-67.5	-21.4	0	0	0	111.9	I148 Y169 V173 A174 Q177 E183 T184 S187	I148-W179 WeakPolarHBondContact CD1-O 3.21Å; Y169-W179 HydrophobicContact CD2-CZ3 4.34Å; Y169-W179 HydrophobicContact CE2-CE3 4.45Å; Y169-W179 HydrophobicContact CE2-CH2 4.48Å; Y169-W179 AromaticContact CE2-CZ3 3.65Å; Y169-W179 HydrophobicContact CE2-CZ3 3.65Å; Y169-W179 AromaticContact CZ-CZ3 3.87Å; V173-W179 HydrophobicContact CG1-CZ3 4.32Å; A174-W179 PolarHBondContact O-N 2.86Å; Q177-W179 HydrophobicContact CB-CD2 3.45Å; Q177-W179 VanDerWaalsContact CB-CD2 3.45Å; Q177-W179 VanDerWaalsContact CB-CE2 3.44Å; Q177-W179 HydrophobicContact CB-CE3 3.89Å; Q177-W179 HydrophobicContact CB-CG 3.75Å; Q177-W179 HydrophobicContact CB-CH2 4.24Å; Q177-W179 HydrophobicContact CB-CZ2 3.87Å; Q177-W179 HydrophobicContact CB-CZ3 4.26Å; Q177-W179 HydrophobicContact CG-CD2 4.08Å; Q177-W179 HydrophobicContact CG-CE3 4.11Å; Q177-W179 HydrophobicContact CG-CH2 3.79Å; Q177-W179 HydrophobicContact CG-CZ2 3.78Å; Q177-W179 HydrophobicContact CG-CZ3 3.97Å; Q177-W179 PolarHBondContact O-N 3.35Å; W179-E183 WeakPolarHBondContact CA-OE2 3.49Å; W179-E183 HydrophobicContact CB-CB 3.88Å; W179-E183 HydrophobicContact CG-CB 3.99Å; W179-T184 VanDerWaalsContact CB-OG1 3.3Å; W179-T184 WeakPolarHBondContact CB-OG1 3.22Å; W179-T184 HydrophobicContact CE3-CG2 4.49Å; W179-S187 WeakPolarHBondContact CH2-OG 3.48Å; W179-S187 VanDerWaalsContact CZ3-OG 3.24Å; W179-S187 WeakPolarHBondContact CZ3-OG 3.43Å
180	N	98.3	Very high	96.8	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.203	24%	0.235	C	C	.	.			trans	-77.7	179.8	162.5	69	49.8	0	0	0	111.5	A13 C182 E183 T184	A13-N180 HydrophobicContact CB-CB 4.13Å; N180-C182 PolarHBondContact O-N 3.48Å; N180-C182 WeakPolarHBondContact OD1-CA 3.46Å; N180-C182 WeakPolarHBondContact OD1-CB 3.32Å; N180-C182 PolarHBondContact OD1-N 3.28Å; N180-E183 VanDerWaalsContact CG-OE2 3.24Å; N180-E183 PolarHBondContact N-OE2 3.07Å; N180-E183 VanDerWaalsContact ND2-CD 3.33Å; N180-E183 PolarHBondContact ND2-OE2 2.97Å; N180-E183 PolarHBondContact O-N 2.91Å; N180-E183 PolarHBondContact OD1-N 3.41Å; N180-T184 WeakPolarHBondContact O-CB 3.3Å; N180-T184 PolarHBondContact O-N 3.14Å; N180-T184 PolarHBondContact O-OG1 3.08Å
181	H	98.5	Very high	96.9	Very high	45 Å²	45	52 Å²	52	21%	0.208	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-46.3	179.6	-63.9	81.6	0	0	0	113	Y143 Q144 W146 T184 I185	Y143-H181 HydrophobicContact CE2-CB 4.39Å; Q144-H181 HydrophobicContact CG-CB 4.26Å; Q144-H181 PolarHBondContact O-CD2 3.43Å; Q144-H181 VanDerWaalsContact O-CD2 3.3Å; Q144-H181 PolarHBondContact O-NE2 3.49Å; W146-H181 AromaticContact CD1-CD2 3.87Å; W146-H181 AromaticContact CD2-CD2 3.99Å; W146-H181 AromaticContact CE2-CD2 3.41Å; W146-H181 VanDerWaalsContact CE2-CD2 3.41Å; W146-H181 HydrophobicContact CZ2-CB 4.45Å; W146-H181 AromaticContact CZ2-CD2 3.74Å; W146-H181 AromaticContact NE1-CD2 3.38Å; W146-H181 PolarHBondContact NE1-CD2 3.12Å; W146-H181 PolarHBondContact O-NE2 3.2Å; H181-T184 PolarHBondContact O-N 3Å; H181-I185 VanDerWaalsContact O-CG1 3.31Å; H181-I185 WeakPolarHBondContact O-CG1 3.39Å; H181-I185 PolarHBondContact O-N 3.36Å
182	C	98.3	Very high	96.9	Very high	15 Å²	15	52 Å²	52	10%	0.101	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-48.1	-179.1	-63.8	0	0	0	0	111.4	Y143 N180 T184 I185 D186	Y143-C182 PolarHBondContact OH-SG 2.99Å; N180-C182 PolarHBondContact O-N 3.48Å; N180-C182 WeakPolarHBondContact OD1-CA 3.46Å; N180-C182 WeakPolarHBondContact OD1-CB 3.32Å; N180-C182 PolarHBondContact OD1-N 3.28Å; C182-T184 VanDerWaalsContact C-N 3.3Å; C182-T184 PolarHBondContact O-N 3.21Å; C182-I185 PolarHBondContact O-N 3.06Å; C182-D186 WeakPolarHBondContact O-CB 3.25Å; C182-D186 VanDerWaalsContact O-CG 3.22Å; C182-D186 PolarHBondContact O-N 2.9Å
183	E	98.5	Very high	97.1	Very high	93 Å²	93	51.1 Å²	51.1	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-40.3	178.6	-68.2	167.6	147.1	0	0	111.7	W179 N180 S187	W179-E183 WeakPolarHBondContact CA-OE2 3.49Å; W179-E183 HydrophobicContact CB-CB 3.88Å; W179-E183 HydrophobicContact CG-CB 3.99Å; N180-E183 VanDerWaalsContact CG-OE2 3.24Å; N180-E183 PolarHBondContact N-OE2 3.07Å; N180-E183 VanDerWaalsContact ND2-CD 3.33Å; N180-E183 PolarHBondContact ND2-OE2 2.97Å; N180-E183 PolarHBondContact O-N 2.91Å; N180-E183 PolarHBondContact OD1-N 3.41Å; E183-S187 WeakPolarHBondContact O-CB 3.33Å; E183-S187 PolarHBondContact O-N 2.85Å
184	T	98.6	Very high	97.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-48.2	177.5	-56.9	0	0	0	0	111.1	W146 I153 Y169 A174 W179 N180 H181 C182 S187 L188	W146-T184 HydrophobicContact CH2-CG2 3.74Å; W146-T184 HydrophobicContact CZ2-CG2 3.89Å; I153-T184 HydrophobicContact CD1-CG2 3.82Å; Y169-T184 HydrophobicContact CD2-CG2 4.01Å; A174-T184 HydrophobicContact CB-CG2 3.89Å; A174-T184 WeakPolarHBondContact CB-OG1 3.4Å; W179-T184 VanDerWaalsContact CB-OG1 3.3Å; W179-T184 WeakPolarHBondContact CB-OG1 3.22Å; W179-T184 HydrophobicContact CE3-CG2 4.49Å; N180-T184 WeakPolarHBondContact O-CB 3.3Å; N180-T184 PolarHBondContact O-N 3.14Å; N180-T184 PolarHBondContact O-OG1 3.08Å; H181-T184 PolarHBondContact O-N 3Å; C182-T184 VanDerWaalsContact C-N 3.3Å; C182-T184 PolarHBondContact O-N 3.21Å; T184-S187 PolarHBondContact O-N 2.65Å; T184-L188 WeakPolarHBondContact O-CB 2.77Å; T184-L188 PolarHBondContact O-N 2.64Å
185	I	98.6	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-43.7	179.5	-68.8	-50.1	0	0	0	111.1	Y143 I153 I155 H181 C182 S187 L188 L189 R203 I206 L208	Y143-I185 HydrophobicContact CD2-CB 4.32Å; Y143-I185 HydrophobicContact CD2-CG1 3.63Å; Y143-I185 HydrophobicContact CG-CG1 4.31Å; I153-I185 HydrophobicContact CD1-CD1 3.77Å; I155-I185 HydrophobicContact CG2-CD1 3.96Å; H181-I185 VanDerWaalsContact O-CG1 3.31Å; H181-I185 WeakPolarHBondContact O-CG1 3.39Å; H181-I185 PolarHBondContact O-N 3.36Å; C182-I185 PolarHBondContact O-N 3.06Å; I185-S187 PolarHBondContact O-N 3.13Å; I185-L188 PolarHBondContact O-N 2.87Å; I185-L188 VanDerWaalsContact O-N 3.16Å; I185-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 HydrophobicContact CG2-CG 4.23Å; I185-L189 WeakPolarHBondContact O-CB 3.44Å; I185-L189 VanDerWaalsContact O-CG 3.31Å; I185-L189 WeakPolarHBondContact O-CG 3.42Å; I185-L189 PolarHBondContact O-N 2.83Å; I185-R203 HydrophobicContact CG2-CG 4.2Å; I185-I206 HydrophobicContact CD1-CD1 3.78Å; I185-I206 HydrophobicContact CG1-CD1 4.17Å; I185-I206 HydrophobicContact CG2-CD1 3.75Å; I185-L208 HydrophobicContact CD1-CD1 3.98Å
186	D	98.5	Very high	97.3	Very high	41 Å²	41	52.6 Å²	52.6	22%	0.219	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-47.3	179.8	-71	8.5	0	0	0	110.5	C182 L188 L189 R190 I198 R203	C182-D186 WeakPolarHBondContact O-CB 3.25Å; C182-D186 VanDerWaalsContact O-CG 3.22Å; C182-D186 PolarHBondContact O-N 2.9Å; D186-L188 VanDerWaalsContact C-N 3.31Å; D186-L188 PolarHBondContact O-N 3.4Å; D186-L189 PolarHBondContact O-N 3.15Å; D186-R190 WeakPolarHBondContact O-CG 3.18Å; D186-R190 PolarHBondContact O-N 3.05Å; D186-R190 VanDerWaalsContact O-N 3.07Å; D186-I198 HydrophobicContact CB-CD1 3.92Å; D186-I198 VanDerWaalsContact OD1-CG2 3.27Å; D186-I198 WeakPolarHBondContact OD1-CG2 3.5Å; D186-R203 IonicContact OD1-CZ 3.83Å; D186-R203 IonicContact OD1-NE 2.79Å; D186-R203 PolarHBondContact OD1-NE 2.83Å; D186-R203 IonicContact OD1-NH2 2.98Å; D186-R203 PolarHBondContact OD1-NH2 2.83Å; D186-R203 IonicContact OD2-CZ 3.4Å; D186-R203 IonicContact OD2-NE 3.17Å; D186-R203 IonicContact OD2-NH2 3.09Å; D186-R203 PolarHBondContact OD2-NH2 2.9Å
187	S	98.4	Very high	97.4	Very high	30 Å²	30	50.9 Å²	50.9	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-44.7	173.1	175.2	0	0	0	0	112	Y169 W179 E183 T184 I185 R190 K191	Y169-S187 PolarHBondContact OH-OG 2.82Å; W179-S187 WeakPolarHBondContact CH2-OG 3.48Å; W179-S187 VanDerWaalsContact CZ3-OG 3.24Å; W179-S187 WeakPolarHBondContact CZ3-OG 3.43Å; E183-S187 WeakPolarHBondContact O-CB 3.33Å; E183-S187 PolarHBondContact O-N 2.85Å; T184-S187 PolarHBondContact O-N 2.65Å; I185-S187 PolarHBondContact O-N 3.13Å; S187-R190 PolarHBondContact O-N 3.18Å; S187-K191 WeakPolarHBondContact O-CB 3.36Å; S187-K191 PolarHBondContact O-N 2.86Å
188	L	97.8	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.4	-36.9	-176.6	-169.2	55.6	0	0	0	112.8	I153 I155 A167 T168 Y169 T184 I185 D186 K191 G192	I153-L188 HydrophobicContact CD1-CD2 3.68Å; I153-L188 HydrophobicContact CG1-CD2 3.83Å; I155-L188 HydrophobicContact CB-CD2 4.38Å; I155-L188 HydrophobicContact CD1-CB 3.96Å; I155-L188 HydrophobicContact CD1-CD2 3.84Å; I155-L188 HydrophobicContact CD1-CG 3.61Å; I155-L188 HydrophobicContact CG1-CD2 3.73Å; I155-L188 HydrophobicContact CG1-CG 3.83Å; I155-L188 HydrophobicContact CG2-CD2 3.89Å; A167-L188 HydrophobicContact CB-CD1 3.47Å; A167-L188 VanDerWaalsContact CB-CD1 3.47Å; A167-L188 HydrophobicContact CB-CG 3.76Å; A167-L188 WeakPolarHBondContact CB-O 3.01Å; T168-L188 VanDerWaalsContact C-CD1 3.49Å; T168-L188 WeakPolarHBondContact O-CD1 3.36Å; Y169-L188 HydrophobicContact CD1-CD1 4.33Å; Y169-L188 HydrophobicContact CD2-CB 3.97Å; Y169-L188 HydrophobicContact CD2-CD1 3.62Å; Y169-L188 HydrophobicContact CD2-CD2 4.17Å; Y169-L188 HydrophobicContact CD2-CG 4.14Å; Y169-L188 HydrophobicContact CE1-CD1 4.39Å; Y169-L188 HydrophobicContact CE2-CB 3.75Å; Y169-L188 HydrophobicContact CE2-CD1 3.69Å; Y169-L188 HydrophobicContact CE2-CG 4.25Å; Y169-L188 HydrophobicContact CG-CD1 3.95Å; T184-L188 WeakPolarHBondContact O-CB 2.77Å; T184-L188 PolarHBondContact O-N 2.64Å; I185-L188 PolarHBondContact O-N 2.87Å; I185-L188 VanDerWaalsContact O-N 3.16Å; D186-L188 VanDerWaalsContact C-N 3.31Å; D186-L188 PolarHBondContact O-N 3.4Å; L188-K191 HydrophobicContact CD1-CD 4.21Å; L188-K191 PolarHBondContact O-N 2.81Å; L188-G192 PolarHBondContact O-N 3.31Å
189	L	98.4	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-45.4	170.7	-75.7	173.5	0	0	0	111	I155 F157 I185 D186 K191 G192 G193 Y194 I198 F202 I206	I155-L189 HydrophobicContact CD1-CD2 3.8Å; I155-L189 HydrophobicContact CD1-CG 4.04Å; F157-L189 HydrophobicContact CB-CD2 4.26Å; F157-L189 HydrophobicContact CD1-CD2 3.56Å; F157-L189 HydrophobicContact CD2-CD2 3.83Å; F157-L189 HydrophobicContact CE1-CD2 3.72Å; F157-L189 HydrophobicContact CE2-CD2 3.99Å; F157-L189 HydrophobicContact CG-CD2 3.61Å; F157-L189 HydrophobicContact CZ-CD2 3.92Å; I185-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 HydrophobicContact CG2-CG 4.23Å; I185-L189 WeakPolarHBondContact O-CB 3.44Å; I185-L189 VanDerWaalsContact O-CG 3.31Å; I185-L189 WeakPolarHBondContact O-CG 3.42Å; I185-L189 PolarHBondContact O-N 2.83Å; D186-L189 PolarHBondContact O-N 3.15Å; L189-K191 PolarHBondContact O-N 3.08Å; L189-G192 CarbonylContact O-C 3.56Å; L189-G192 PolarHBondContact O-N 2.88Å; L189-G193 PolarHBondContact O-N 2.75Å; L189-Y194 HydrophobicContact CB-CD1 4.43Å; L189-Y194 VanDerWaalsContact O-CB 3.27Å; L189-Y194 WeakPolarHBondContact O-CB 3.45Å; L189-Y194 PolarHBondContact O-N 3.33Å; L189-I198 HydrophobicContact CB-CD1 4.4Å; L189-I198 HydrophobicContact CD1-CD1 4.37Å; L189-I198 HydrophobicContact CD1-CG1 4.31Å; L189-I198 HydrophobicContact CD1-CG2 3.89Å; L189-F202 HydrophobicContact CD1-CD1 3.86Å; L189-F202 HydrophobicContact CD1-CE1 3.82Å; L189-F202 HydrophobicContact CD2-CE1 3.74Å; L189-F202 HydrophobicContact CG-CE1 4.4Å; L189-I206 HydrophobicContact CD2-CG2 4.24Å
190	R	97.9	Very high	97.5	Very high	98 Å²	98	47 Å²	47	37%	0.37	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-42.3	175.8	-65.3	-56.4	-175	-164	-0.3	111.9	D186 S187 G192 G193 Y194 R195 G196 I198	D186-R190 WeakPolarHBondContact O-CG 3.18Å; D186-R190 PolarHBondContact O-N 3.05Å; D186-R190 VanDerWaalsContact O-N 3.07Å; S187-R190 PolarHBondContact O-N 3.18Å; R190-G192 VanDerWaalsContact C-N 3.33Å; R190-G193 PolarHBondContact O-N 2.94Å; R190-G193 VanDerWaalsContact O-N 3.12Å; R190-Y194 WeakPolarHBondContact CD-O 3.48Å; R190-Y194 PolarHBondContact NH1-O 2.86Å; R190-R195 PolarHBondContact NH1-O 3.3Å; R190-R195 PolarHBondContact O-NH1 3.19Å; R190-G196 PolarHBondContact NH1-O 3.24Å; R190-G196 PolarHBondContact NH2-O 3.09Å; R190-G196 VanDerWaalsContact NH2-O 3.09Å; R190-I198 HydrophobicContact CG-CD1 4.41Å
191	K	95.7	Very high	97.5	Very high	117 Å²	117	48.8 Å²	48.8	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-39.3	174.2	177.5	171.3	179.8	-94.2	0	112.1	T168 Y169 S187 L188 L189 G193	T168-K191 PolarHBondContact O-NZ 3.38Å; Y169-K191 HydrophobicContact CD1-CD 4.38Å; Y169-K191 HydrophobicContact CE1-CD 3.53Å; S187-K191 WeakPolarHBondContact O-CB 3.36Å; S187-K191 PolarHBondContact O-N 2.86Å; L188-K191 HydrophobicContact CD1-CD 4.21Å; L188-K191 PolarHBondContact O-N 2.81Å; L189-K191 PolarHBondContact O-N 3.08Å; K191-G193 PolarHBondContact O-N 3.46Å
192	G	95.4	Very high	97.5	Very high	13 Å²	13	48.2 Å²	48.2	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.3	175	0	0	0	0	0	115	R165 L188 L189 R190	R165-G192 WeakPolarHBondContact CG-O 3.17Å; L188-G192 PolarHBondContact O-N 3.31Å; L189-G192 CarbonylContact O-C 3.56Å; L189-G192 PolarHBondContact O-N 2.88Å; R190-G192 VanDerWaalsContact C-N 3.33Å
193	G	95.3	Very high	97.5	Very high	23 Å²	23	48.8 Å²	48.8	24%	0.237	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	15.3	175.3	0	0	0	0	0	115.2	L189 R190 K191 R195	L189-G193 PolarHBondContact O-N 2.75Å; R190-G193 PolarHBondContact O-N 2.94Å; R190-G193 VanDerWaalsContact O-N 3.12Å; K191-G193 PolarHBondContact O-N 3.46Å; G193-R195 PolarHBondContact O-N 3.43Å
194	Y	97.5	Very high	97.5	Very high	21 Å²	21	48.8 Å²	48.8	8%	0.082	26%	0.259	C	S	.	.			trans	-70.9	124.6	169.9	-171.2	-114.4	0	0	0	110.4	F157 N159 L189 R190 G196 T197 I198 F202	F157-Y194 HydrophobicContact CE2-CD2 4.49Å; F157-Y194 HydrophobicContact CE2-CG 4.5Å; N159-Y194 HydrophobicContact CB-CD2 4.33Å; L189-Y194 HydrophobicContact CB-CD1 4.43Å; L189-Y194 VanDerWaalsContact O-CB 3.27Å; L189-Y194 WeakPolarHBondContact O-CB 3.45Å; L189-Y194 PolarHBondContact O-N 3.33Å; R190-Y194 WeakPolarHBondContact CD-O 3.48Å; R190-Y194 PolarHBondContact NH1-O 2.86Å; Y194-G196 WeakPolarHBondContact CE1-O 3.42Å; Y194-T197 WeakPolarHBondContact CE1-O 3.35Å; Y194-T197 PolarHBondContact OH-O 3.38Å; Y194-I198 HydrophobicContact CD1-CD1 4.39Å; Y194-I198 HydrophobicContact CD1-CG1 3.69Å; Y194-I198 HydrophobicContact CE1-CB 4.49Å; Y194-I198 HydrophobicContact CE1-CG1 3.61Å; Y194-F202 AromaticContact CD1-CE1 3.98Å; Y194-F202 HydrophobicContact CD1-CE1 3.98Å; Y194-F202 HydrophobicContact CD1-CZ 4.48Å; Y194-F202 AromaticContact CD2-CE1 3.9Å; Y194-F202 HydrophobicContact CD2-CE1 3.9Å; Y194-F202 HydrophobicContact CD2-CE2 4.39Å; Y194-F202 AromaticContact CD2-CZ 3.59Å; Y194-F202 HydrophobicContact CD2-CZ 3.59Å; Y194-F202 HydrophobicContact CE1-CD1 4Å; Y194-F202 AromaticContact CE1-CE1 3.79Å; Y194-F202 HydrophobicContact CE1-CE1 3.79Å; Y194-F202 HydrophobicContact CE1-CZ 4.22Å; Y194-F202 HydrophobicContact CE2-CD1 4.44Å; Y194-F202 HydrophobicContact CE2-CD2 4.38Å; Y194-F202 AromaticContact CE2-CE1 3.71Å; Y194-F202 HydrophobicContact CE2-CE1 3.71Å; Y194-F202 AromaticContact CE2-CE2 3.65Å; Y194-F202 HydrophobicContact CE2-CE2 3.65Å; Y194-F202 AromaticContact CE2-CZ 3.26Å; Y194-F202 HydrophobicContact CE2-CZ 3.26Å; Y194-F202 HydrophobicContact CG-CE1 4.03Å; Y194-F202 HydrophobicContact CG-CZ 4.19Å; Y194-F202 AromaticContact CZ-CD1 3.95Å; Y194-F202 AromaticContact CZ-CE1 3.65Å; Y194-F202 AromaticContact CZ-CE2 3.86Å; Y194-F202 AromaticContact CZ-CZ 3.61Å
195	R	96.5	Very high	97.4	Very high	163 Å²	163	52.4 Å²	52.4	62%	0.615	28%	0.284	S	S	*	.			trans	-114.3	-10.7	-178.6	-63.1	-64.6	-179.5	-110.7	4.5	113.5	E160 R190 G193	E160-R195 PolarHBondContact OE2-N 3.05Å; R190-R195 PolarHBondContact NH1-O 3.3Å; R190-R195 PolarHBondContact O-NH1 3.19Å; G193-R195 PolarHBondContact O-N 3.43Å
196	G	95.6	Very high	97.4	Very high	22 Å²	22	52.9 Å²	52.9	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	-67.9	179.6	175.1	0	0	0	0	0	115	R190 Y194	R190-G196 PolarHBondContact NH1-O 3.24Å; R190-G196 PolarHBondContact NH2-O 3.09Å; R190-G196 VanDerWaalsContact NH2-O 3.09Å; Y194-G196 WeakPolarHBondContact CE1-O 3.42Å
197	T	97.3	Very high	97.3	Very high	111 Å²	111	56.8 Å²	56.8	68%	0.681	30%	0.298	S	S	*	.			trans	-70.3	132.4	169.7	-57.8	0	0	0	0	109.5	Y194 T199	Y194-T197 WeakPolarHBondContact CE1-O 3.35Å; Y194-T197 PolarHBondContact OH-O 3.38Å; T197-T199 HydrophobicContact CG2-CG2 4.23Å
198	I	97.9	Very high	97.4	Very high	27 Å²	27	55.4 Å²	55.4	14%	0.138	29%	0.289	C	S	.	.			trans	-93.3	104.7	178.6	-56.1	165.5	0	0	0	108	D186 L189 R190 Y194 R203	D186-I198 HydrophobicContact CB-CD1 3.92Å; D186-I198 VanDerWaalsContact OD1-CG2 3.27Å; D186-I198 WeakPolarHBondContact OD1-CG2 3.5Å; L189-I198 HydrophobicContact CB-CD1 4.4Å; L189-I198 HydrophobicContact CD1-CD1 4.37Å; L189-I198 HydrophobicContact CD1-CG1 4.31Å; L189-I198 HydrophobicContact CD1-CG2 3.89Å; R190-I198 HydrophobicContact CG-CD1 4.41Å; Y194-I198 HydrophobicContact CD1-CD1 4.39Å; Y194-I198 HydrophobicContact CD1-CG1 3.69Å; Y194-I198 HydrophobicContact CE1-CB 4.49Å; Y194-I198 HydrophobicContact CE1-CG1 3.61Å; I198-R203 HydrophobicContact CG2-CG 4.08Å
199	T	97.6	Very high	97.4	Very high	70 Å²	70	56.5 Å²	56.5	43%	0.429	30%	0.295	S	S	.	.			trans	-98.9	163.6	176.1	66	0	0	0	0	110.2	T197 A201 F202 R203	T197-T199 HydrophobicContact CG2-CG2 4.23Å; T199-A201 VanDerWaalsContact C-N 3.29Å; T199-A201 PolarHBondContact O-N 3.11Å; T199-F202 WeakPolarHBondContact O-CB 3.45Å; T199-F202 PolarHBondContact O-N 2.85Å; T199-F202 VanDerWaalsContact O-N 3.08Å; T199-F202 PolarHBondContact OG1-N 2.98Å; T199-R203 PolarHBondContact O-N 2.89Å
200	E	98.1	Very high	97.4	Very high	60 Å²	60	58.6 Å²	58.6	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-40.8	174.3	-176.3	53.1	-152.2	0	0	112.1	Y143 F202 R203 Q204	Y143-E200 VanDerWaalsContact CE1-OE1 3.29Å; Y143-E200 WeakPolarHBondContact CE1-OE1 3.33Å; Y143-E200 PolarHBondContact OH-OE2 3.09Å; E200-F202 PolarHBondContact O-N 2.72Å; E200-R203 PolarHBondContact O-N 2.88Å; E200-R203 VanDerWaalsContact O-N 3.08Å; E200-R203 IonicContact OE2-NH1 2.81Å; E200-R203 PolarHBondContact OE2-NH1 3.34Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-N 3.16Å; E200-Q204 PolarHBondContact OE1-NE2 2.98Å
201	A	97.7	Very high	97.4	Very high	75 Å²	75	53.9 Å²	53.9	62%	0.62	29%	0.285	S	S	*	.	H	α-helix	trans	-58.4	-35.6	174.3	0	0	0	0	0	112.5	T199 Q204 S205	T199-A201 VanDerWaalsContact C-N 3.29Å; T199-A201 PolarHBondContact O-N 3.11Å; A201-Q204 PolarHBondContact O-N 3.47Å; A201-S205 PolarHBondContact O-N 3.32Å; A201-S205 VanDerWaalsContact O-N 3.16Å
202	F	97.9	Very high	97.4	Very high	32 Å²	32	53.6 Å²	53.6	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-73.5	-34.8	175.8	-167.4	-95.5	0	0	0	112.5	F157 L189 Y194 T199 E200 Q204 S205 I206	F157-F202 HydrophobicContact CB-CZ 4.5Å; F157-F202 HydrophobicContact CD2-CZ 4.21Å; L189-F202 HydrophobicContact CD1-CD1 3.86Å; L189-F202 HydrophobicContact CD1-CE1 3.82Å; L189-F202 HydrophobicContact CD2-CE1 3.74Å; L189-F202 HydrophobicContact CG-CE1 4.4Å; Y194-F202 AromaticContact CD1-CE1 3.98Å; Y194-F202 HydrophobicContact CD1-CE1 3.98Å; Y194-F202 HydrophobicContact CD1-CZ 4.48Å; Y194-F202 AromaticContact CD2-CE1 3.9Å; Y194-F202 HydrophobicContact CD2-CE1 3.9Å; Y194-F202 HydrophobicContact CD2-CE2 4.39Å; Y194-F202 AromaticContact CD2-CZ 3.59Å; Y194-F202 HydrophobicContact CD2-CZ 3.59Å; Y194-F202 HydrophobicContact CE1-CD1 4Å; Y194-F202 AromaticContact CE1-CE1 3.79Å; Y194-F202 HydrophobicContact CE1-CE1 3.79Å; Y194-F202 HydrophobicContact CE1-CZ 4.22Å; Y194-F202 HydrophobicContact CE2-CD1 4.44Å; Y194-F202 HydrophobicContact CE2-CD2 4.38Å; Y194-F202 AromaticContact CE2-CE1 3.71Å; Y194-F202 HydrophobicContact CE2-CE1 3.71Å; Y194-F202 AromaticContact CE2-CE2 3.65Å; Y194-F202 HydrophobicContact CE2-CE2 3.65Å; Y194-F202 AromaticContact CE2-CZ 3.26Å; Y194-F202 HydrophobicContact CE2-CZ 3.26Å; Y194-F202 HydrophobicContact CG-CE1 4.03Å; Y194-F202 HydrophobicContact CG-CZ 4.19Å; Y194-F202 AromaticContact CZ-CD1 3.95Å; Y194-F202 AromaticContact CZ-CE1 3.65Å; Y194-F202 AromaticContact CZ-CE2 3.86Å; Y194-F202 AromaticContact CZ-CZ 3.61Å; T199-F202 WeakPolarHBondContact O-CB 3.45Å; T199-F202 PolarHBondContact O-N 2.85Å; T199-F202 VanDerWaalsContact O-N 3.08Å; T199-F202 PolarHBondContact OG1-N 2.98Å; E200-F202 PolarHBondContact O-N 2.72Å; F202-Q204 VanDerWaalsContact C-N 3.31Å; F202-Q204 PolarHBondContact O-N 2.87Å; F202-S205 PolarHBondContact O-N 3.41Å; F202-S205 PolarHBondContact O-OG 3.08Å; F202-I206 WeakPolarHBondContact O-CG2 3.37Å
203	R	98.4	Very high	97.4	Very high	28 Å²	28	54.6 Å²	54.6	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-40.5	171.1	-63.9	-170.8	-168.4	99.4	5.7	111.4	Y143 I185 D186 I198 T199 E200 S205 I206	Y143-R203 HydrophobicContact CD1-CB 3.67Å; Y143-R203 HydrophobicContact CD2-CB 4.48Å; Y143-R203 HydrophobicContact CE1-CB 3.75Å; Y143-R203 HydrophobicContact CG-CB 4.05Å; I185-R203 HydrophobicContact CG2-CG 4.2Å; D186-R203 IonicContact OD1-CZ 3.83Å; D186-R203 IonicContact OD1-NE 2.79Å; D186-R203 PolarHBondContact OD1-NE 2.83Å; D186-R203 IonicContact OD1-NH2 2.98Å; D186-R203 PolarHBondContact OD1-NH2 2.83Å; D186-R203 IonicContact OD2-CZ 3.4Å; D186-R203 IonicContact OD2-NE 3.17Å; D186-R203 IonicContact OD2-NH2 3.09Å; D186-R203 PolarHBondContact OD2-NH2 2.9Å; I198-R203 HydrophobicContact CG2-CG 4.08Å; T199-R203 PolarHBondContact O-N 2.89Å; E200-R203 PolarHBondContact O-N 2.88Å; E200-R203 VanDerWaalsContact O-N 3.08Å; E200-R203 IonicContact OE2-NH1 2.81Å; E200-R203 PolarHBondContact OE2-NH1 3.34Å; R203-S205 PolarHBondContact O-N 2.87Å; R203-I206 VanDerWaalsContact O-CG1 3.31Å; R203-I206 WeakPolarHBondContact O-CG1 3.36Å; R203-I206 PolarHBondContact O-N 3.41Å
204	Q	97.8	Very high	97.4	Very high	93 Å²	93	56.5 Å²	56.5	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-21	178.2	-64.4	-65.5	-18.2	0	0	113.1	E200 A201 F202	E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-N 3.16Å; E200-Q204 PolarHBondContact OE1-NE2 2.98Å; A201-Q204 PolarHBondContact O-N 3.47Å; F202-Q204 VanDerWaalsContact C-N 3.31Å; F202-Q204 PolarHBondContact O-N 2.87Å
205	S	96.9	Very high	97.3	Very high	76 Å²	76	59.7 Å²	59.7	53%	0.531	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.6	178.2	72.4	0	0	0	0	114.2	A201 F202 R203	A201-S205 PolarHBondContact O-N 3.32Å; A201-S205 VanDerWaalsContact O-N 3.16Å; F202-S205 PolarHBondContact O-N 3.41Å; F202-S205 PolarHBondContact O-OG 3.08Å; R203-S205 PolarHBondContact O-N 2.87Å
206	I	98	Very high	97.3	Very high	11 Å²	11	53 Å²	53	6%	0.056	28%	0.281	C	S	.	.			trans	-72.2	140.2	178.5	82.4	-174.4	0	0	0	110.2	I155 F157 I185 L189 F202 R203	I155-I206 HydrophobicContact CB-CD1 4.39Å; I155-I206 HydrophobicContact CG2-CD1 3.89Å; F157-I206 HydrophobicContact CB-CG2 4.35Å; I185-I206 HydrophobicContact CD1-CD1 3.78Å; I185-I206 HydrophobicContact CG1-CD1 4.17Å; I185-I206 HydrophobicContact CG2-CD1 3.75Å; L189-I206 HydrophobicContact CD2-CG2 4.24Å; F202-I206 WeakPolarHBondContact O-CG2 3.37Å; R203-I206 VanDerWaalsContact O-CG1 3.31Å; R203-I206 WeakPolarHBondContact O-CG1 3.36Å; R203-I206 PolarHBondContact O-N 3.41Å
207	R	98.4	Very high	97.4	Very high	122 Å²	122	54.6 Å²	54.6	46%	0.46	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.4	163.1	-176.2	171.3	72.4	-175.2	-0.7	108.3	E139 I155 E156	E139-R207 WeakPolarHBondContact OE1-CD 3.34Å; I155-R207 CarbonylContact C-O 3.55Å; I155-R207 WeakPolarHBondContact CA-O 3.3Å; E156-R207 HydrophobicContact CB-CB 4.31Å; E156-R207 PolarHBondContact N-O 3.49Å; E156-R207 PolarHBondContact O-N 2.9Å; E156-R207 IonicContact OE1-CZ 3.4Å; E156-R207 IonicContact OE1-NE 3.51Å; E156-R207 PolarHBondContact OE1-NE 2.96Å; E156-R207 IonicContact OE1-NH2 2.64Å; E156-R207 PolarHBondContact OE1-NH2 3.18Å; E156-R207 IonicContact OE2-NH2 3.59Å; E156-R207 PolarHBondContact OE2-NH2 3.45Å; E156-R207 VanDerWaalsContact OE2-NH2 3.09Å
208	L	98.6	Very high	97.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.7	179.2	-176.2	147	0	0	0	110.1	G140 Y143 I153 I155 I185 R210	G140-L208 PolarHBondContact N-O 3.09Å; Y143-L208 WeakPolarHBondContact O-CD1 3.24Å; I153-L208 HydrophobicContact CB-CD1 4.3Å; I153-L208 HydrophobicContact CB-CG 4.45Å; I153-L208 HydrophobicContact CD1-CD1 4.41Å; I153-L208 HydrophobicContact CG2-CD1 4.13Å; I153-L208 HydrophobicContact CG2-CD2 4.24Å; I153-L208 HydrophobicContact CG2-CG 4.41Å; I155-L208 HydrophobicContact CG2-CB 4.45Å; I155-L208 HydrophobicContact CG2-CD1 4.1Å; I155-L208 HydrophobicContact CG2-CG 4.29Å; I185-L208 HydrophobicContact CD1-CD1 3.98Å; L208-R210 HydrophobicContact CD2-CB 4.26Å
209	T	98.5	Very high	97.5	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.135	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.1	166	-50.7	0	0	0	0	108.4	F137 E138 I153 R154	F137-T209 HydrophobicContact CB-CG2 4.09Å; F137-T209 HydrophobicContact CD1-CG2 3.92Å; E138-T209 CarbonylContact O-C 3.55Å; E138-T209 WeakPolarHBondContact O-CA 3.32Å; E138-T209 WeakPolarHBondContact O-CG2 3.47Å; I153-T209 WeakPolarHBondContact CA-O 3.01Å; R154-T209 PolarHBondContact N-O 2.96Å; R154-T209 PolarHBondContact O-N 3.4Å
210	R	98.3	Very high	97.6	Very high	44 Å²	44	47.9 Å²	47.9	17%	0.166	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	152.8	171	63.1	171.5	177	-129.1	1.7	110.4	F137 E138 D145 W146 H151 G152 L208	F137-R210 WeakPolarHBondContact CA-O 3.48Å; E138-R210 HydrophobicContact CB-CG 3.95Å; E138-R210 PolarHBondContact N-O 2.91Å; E138-R210 WeakPolarHBondContact O-CG 3.13Å; E138-R210 PolarHBondContact O-N 2.77Å; E138-R210 IonicContact OE2-CZ 2.72Å; E138-R210 VanDerWaalsContact OE2-CZ 3.29Å; E138-R210 IonicContact OE2-NE 3.91Å; E138-R210 PolarHBondContact OE2-NE 2.82Å; E138-R210 IonicContact OE2-NH2 2.88Å; E138-R210 PolarHBondContact OE2-NH2 3.19Å; D145-R210 PolarHBondContact O-NH1 2.93Å; D145-R210 IonicContact OD1-CZ 3.6Å; D145-R210 IonicContact OD1-NH1 2.73Å; D145-R210 PolarHBondContact OD1-NH1 3.41Å; D145-R210 IonicContact OD2-NH1 3.62Å; D145-R210 PolarHBondContact OD2-NH1 2.82Å; W146-R210 HydrophobicContact CB-CB 4.05Å; H151-R210 HydrophobicContact CB-CB 4.13Å; G152-R210 CarbonylContact O-C 3.58Å; G152-R210 WeakPolarHBondContact O-CA 3.41Å; L208-R210 HydrophobicContact CD2-CB 4.26Å
211	Y	97.7	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.6	175.3	58.6	-92.4	0	0	0	110.7	F93 L134 L135 F137 H151 G152 R154 T168 Y169 L170	F93-Y211 HydrophobicContact CE1-CD1 4.13Å; F93-Y211 AromaticContact CE1-CE1 3.59Å; F93-Y211 HydrophobicContact CE1-CE1 3.59Å; F93-Y211 AromaticContact CE1-CZ 3.97Å; F93-Y211 AromaticContact CZ-CE1 3.96Å; F93-Y211 HydrophobicContact CZ-CE1 3.96Å; L134-Y211 HydrophobicContact CB-CD2 4.09Å; L134-Y211 HydrophobicContact CB-CE2 4.44Å; L134-Y211 HydrophobicContact CD1-CD2 4.23Å; L134-Y211 HydrophobicContact CD1-CE2 3.85Å; L134-Y211 HydrophobicContact CD2-CD2 4.04Å; L134-Y211 HydrophobicContact CD2-CE2 3.66Å; L134-Y211 HydrophobicContact CG-CD2 4.35Å; L134-Y211 HydrophobicContact CG-CE2 4.19Å; L135-Y211 WeakPolarHBondContact O-CB 3.25Å; F137-Y211 HydrophobicContact CD1-CD1 4.15Å; F137-Y211 HydrophobicContact CD1-CG 4.22Å; F137-Y211 AromaticContact CE1-CD1 3.71Å; F137-Y211 HydrophobicContact CE1-CD1 3.71Å; F137-Y211 AromaticContact CE1-CG 3.79Å; F137-Y211 HydrophobicContact CE1-CG 3.79Å; F137-Y211 HydrophobicContact CZ-CD1 4.49Å; F137-Y211 HydrophobicContact CZ-CG 4.22Å; H151-Y211 CarbonylContact C-O 3.58Å; H151-Y211 VanDerWaalsContact CA-O 3.29Å; H151-Y211 WeakPolarHBondContact CA-O 3.32Å; G152-Y211 VanDerWaalsContact C-CE1 3.45Å; G152-Y211 PolarHBondContact N-O 3.24Å; G152-Y211 WeakPolarHBondContact O-CD1 3.23Å; G152-Y211 PolarHBondContact O-N 3.07Å; R154-Y211 HydrophobicContact CB-CE1 4.45Å; T168-Y211 PolarHBondContact OG1-OH 3.12Å; Y169-Y211 PolarHBondContact O-OH 3.28Å; L170-Y211 HydrophobicContact CD2-CE2 4.36Å
212	R	96.8	Very high	97.5	Very high	111 Å²	111	47.8 Å²	47.8	42%	0.419	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	163.7	167.9	-67.4	-178.5	179.4	-87.8	-6.5	109.6	L135 V150 H151	L135-R212 PolarHBondContact N-O 2.79Å; L135-R212 PolarHBondContact O-N 2.91Å; L135-R212 VanDerWaalsContact O-O 3.11Å; V150-R212 VanDerWaalsContact CG1-NH1 3.26Å; H151-R212 PolarHBondContact NE2-NH2 3.16Å
213	S	94.6	Very high	97.5	Very high	34 Å²	34	46.2 Å²	46.2	24%	0.238	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139	169.5	63.5	0	0	0	0	110.6	L133 P171	L133-S213 WeakPolarHBondContact O-CA 3.44Å; P171-S213 WeakPolarHBondContact CG-OG 3.39Å
214	E	95.4	Very high	97.5	Very high	63 Å²	63	48.5 Å²	48.5	29%	0.294	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	139.4	156.5	-76.6	-177	-158.4	0	0	108.8	G37 V38 V39 S132 L133 L135	G37-E214 VanDerWaalsContact C-OE2 3.22Å; G37-E214 WeakPolarHBondContact CA-OE2 3.31Å; V38-E214 PolarHBondContact N-OE2 2.98Å; V39-E214 HydrophobicContact CB-CB 4.31Å; V39-E214 HydrophobicContact CG2-CB 3.52Å; V39-E214 WeakPolarHBondContact CG2-O 3.49Å; V39-E214 PolarHBondContact N-OE2 2.76Å; S132-E214 CarbonylContact C-O 3.36Å; S132-E214 VanDerWaalsContact CA-O 3.3Å; S132-E214 WeakPolarHBondContact CA-O 3.43Å; L133-E214 PolarHBondContact N-O 3.45Å; L133-E214 PolarHBondContact O-N 3.37Å; L135-E214 HydrophobicContact CD1-CB 4.16Å; L135-E214 HydrophobicContact CD1-CG 3.71Å
215	K	95.4	Very high	97.5	Very high	87 Å²	87	51 Å²	51	38%	0.378	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.6	-175.4	-177.1	177.5	-177.4	178.2	0	110.6	V131 E172	V131-K215 VanDerWaalsContact O-CA 3.29Å; V131-K215 WeakPolarHBondContact O-CA 3.19Å; E172-K215 IonicContact OE1-NZ 3.29Å; E172-K215 PolarHBondContact OE1-NZ 3.28Å
216	C	97.1	Very high	97.4	Very high	23 Å²	23	48.2 Å²	48.2	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.7	167.9	-175.9	0	0	0	0	108.7	V39 R41 C44 S130 V131	V39-C216 HydrophobicContact CB-CB 4.39Å; V39-C216 HydrophobicContact CG1-CB 3.34Å; R41-C216 VanDerWaalsContact CG-SG 3.56Å; C44-C216 PolarHBondContact SG-O 2.91Å; S130-C216 CarbonylContact C-O 3.46Å; S130-C216 WeakPolarHBondContact CA-O 3.5Å; V131-C216 PolarHBondContact N-O 3.5Å; V131-C216 PolarHBondContact O-N 3.38Å
217	S	98.1	Very high	97.3	Very high	56 Å²	56	51.2 Å²	51.2	39%	0.392	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.6	179	-62.2	0	0	0	0	109.1	C129 S130	C129-S217 CarbonylContact O-C 3.43Å; C129-S217 VanDerWaalsContact O-CA 3.27Å; C129-S217 WeakPolarHBondContact O-CA 3.29Å; S130-S217 WeakPolarHBondContact CB-OG 3.47Å; S130-S217 WeakPolarHBondContact OG-CB 3.29Å; S130-S217 PolarHBondContact OG-OG 2.81Å
218	V	98.4	Very high	97.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.7	-179.1	167.7	0	0	0	0	108.6	R41 C44 Y45 F48 T128 C129 E222	R41-V218 HydrophobicContact CB-CG2 4.23Å; R41-V218 HydrophobicContact CG-CG2 4.09Å; C44-V218 HydrophobicContact CB-CB 3.69Å; C44-V218 HydrophobicContact CB-CG2 3.65Å; Y45-V218 HydrophobicContact CD1-CG1 3.82Å; Y45-V218 HydrophobicContact CE1-CB 4.41Å; Y45-V218 HydrophobicContact CE1-CG1 3.47Å; Y45-V218 VanDerWaalsContact CE1-CG1 3.47Å; Y45-V218 HydrophobicContact CE1-CG2 4.1Å; F48-V218 HydrophobicContact CD2-CG1 4.48Å; F48-V218 HydrophobicContact CE2-CB 4.32Å; F48-V218 HydrophobicContact CE2-CG1 3.95Å; F48-V218 VanDerWaalsContact CE2-O 3.32Å; F48-V218 WeakPolarHBondContact CE2-O 3.31Å; T128-V218 CarbonylContact C-O 3.55Å; T128-V218 WeakPolarHBondContact CA-O 3.2Å; C129-V218 PolarHBondContact N-O 3.07Å; C129-V218 PolarHBondContact O-N 3.22Å; V218-E222 HydrophobicContact CG1-CB 4.15Å; V218-E222 HydrophobicContact CG1-CG 4.46Å
219	H	98.5	Very high	97	Very high	65 Å²	65	59.3 Å²	59.3	30%	0.301	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	146.7	171.4	-169.7	-89.8	0	0	0	110.7	P125 T128 T221 E222 Y223	P125-H219 PolarHBondContact O-CE1 3.42Å; T128-H219 PolarHBondContact OG1-CD2 2.92Å; T128-H219 VanDerWaalsContact OG1-CD2 3.23Å; H219-T221 PolarHBondContact CE1-OG1 2.92Å; H219-T221 WeakPolarHBondContact ND1-CB 3.46Å; H219-T221 PolarHBondContact ND1-N 3.42Å; H219-T221 VanDerWaalsContact ND1-N 3.15Å; H219-T221 PolarHBondContact ND1-OG1 2.83Å; H219-T221 PolarHBondContact O-N 3.28Å; H219-T221 VanDerWaalsContact O-N 3.16Å; H219-E222 WeakPolarHBondContact O-CB 3.37Å; H219-E222 PolarHBondContact O-N 2.86Å; H219-Y223 PolarHBondContact O-N 3.25Å
220	A	98.3	Very high	96.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.1	-38.1	-178.9	0	0	0	0	0	112.6	F48 F124 L127 E222 Y223 L224	F48-A220 HydrophobicContact CE1-CB 3.71Å; F48-A220 HydrophobicContact CZ-CB 3.91Å; F124-A220 WeakPolarHBondContact O-CB 3.41Å; L127-A220 WeakPolarHBondContact O-CB 3.46Å; L127-A220 PolarHBondContact O-N 3.48Å; A220-E222 VanDerWaalsContact C-N 3.29Å; A220-E222 PolarHBondContact O-N 2.86Å; A220-Y223 WeakPolarHBondContact O-CB 3.31Å; A220-Y223 PolarHBondContact O-N 3.08Å; A220-L224 WeakPolarHBondContact O-CB 3.42Å; A220-L224 VanDerWaalsContact O-CG 3.26Å; A220-L224 WeakPolarHBondContact O-CG 3.27Å; A220-L224 PolarHBondContact O-N 2.75Å
221	T	97.6	Very high	96.4	Very high	69 Å²	69	60 Å²	60	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-39.1	174	-48.1	0	0	0	0	113.4	H219 R225	H219-T221 PolarHBondContact CE1-OG1 2.92Å; H219-T221 WeakPolarHBondContact ND1-CB 3.46Å; H219-T221 PolarHBondContact ND1-N 3.42Å; H219-T221 VanDerWaalsContact ND1-N 3.15Å; H219-T221 PolarHBondContact ND1-OG1 2.83Å; H219-T221 PolarHBondContact O-N 3.28Å; H219-T221 VanDerWaalsContact O-N 3.16Å; T221-R225 WeakPolarHBondContact O-CB 3.35Å; T221-R225 PolarHBondContact O-N 2.79Å; T221-R225 VanDerWaalsContact O-N 3.07Å
222	E	98	Very high	95.9	Very high	64 Å²	64	67.3 Å²	67.3	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-68.8	-45.7	176.8	-176.9	-174.9	144.7	0	0	110.6	Y45 V218 H219 A220 L224 R225 A226	Y45-E222 HydrophobicContact CE1-CG 4.48Å; Y45-E222 PolarHBondContact OH-OE1 3.47Å; V218-E222 HydrophobicContact CG1-CB 4.15Å; V218-E222 HydrophobicContact CG1-CG 4.46Å; H219-E222 WeakPolarHBondContact O-CB 3.37Å; H219-E222 PolarHBondContact O-N 2.86Å; A220-E222 VanDerWaalsContact C-N 3.29Å; A220-E222 PolarHBondContact O-N 2.86Å; E222-L224 PolarHBondContact O-N 2.98Å; E222-R225 PolarHBondContact O-N 2.95Å; E222-A226 WeakPolarHBondContact O-CB 3.27Å; E222-A226 PolarHBondContact O-N 3.45Å
223	Y	97.8	Very high	95.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-47.1	174.6	156.1	-102.9	0	0	0	112.3	Y45 F48 D49 F124 H219 A220 R225 A226 R227 Y231	Y45-Y223 HydrophobicContact CD1-CD2 4.08Å; Y45-Y223 HydrophobicContact CD1-CG 4.49Å; Y45-Y223 HydrophobicContact CG-CD2 4.32Å; F48-Y223 HydrophobicContact CB-CD1 3.74Å; F48-Y223 HydrophobicContact CB-CD2 3.64Å; F48-Y223 HydrophobicContact CB-CE1 3.75Å; F48-Y223 HydrophobicContact CB-CE2 3.63Å; F48-Y223 HydrophobicContact CB-CG 3.67Å; F48-Y223 HydrophobicContact CD1-CD1 4.19Å; F48-Y223 HydrophobicContact CD2-CD1 4.32Å; F48-Y223 HydrophobicContact CD2-CD2 4.31Å; F48-Y223 AromaticContact CD2-CG 3.87Å; F48-Y223 HydrophobicContact CD2-CG 3.87Å; F48-Y223 AromaticContact CG-CD1 3.87Å; F48-Y223 HydrophobicContact CG-CD1 3.87Å; F48-Y223 HydrophobicContact CG-CD2 4.24Å; F48-Y223 HydrophobicContact CG-CE1 4.3Å; F48-Y223 AromaticContact CG-CG 3.82Å; F48-Y223 HydrophobicContact CG-CG 3.82Å; D49-Y223 WeakPolarHBondContact OD1-CE2 3.47Å; D49-Y223 PolarHBondContact OD1-OH 3.4Å; F124-Y223 HydrophobicContact CE1-CD1 4.25Å; F124-Y223 AromaticContact CE1-CE1 3.87Å; F124-Y223 HydrophobicContact CE1-CE1 3.87Å; F124-Y223 HydrophobicContact CZ-CD1 4.25Å; F124-Y223 AromaticContact CZ-CE1 3.68Å; F124-Y223 HydrophobicContact CZ-CE1 3.68Å; H219-Y223 PolarHBondContact O-N 3.25Å; A220-Y223 WeakPolarHBondContact O-CB 3.31Å; A220-Y223 PolarHBondContact O-N 3.08Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.02Å; Y223-A226 WeakPolarHBondContact O-CB 3.4Å; Y223-A226 PolarHBondContact O-N 3.47Å; Y223-A226 VanDerWaalsContact O-N 3.16Å; Y223-R227 HydrophobicContact CD2-CG 4.27Å; Y223-R227 VanDerWaalsContact CE2-CD 3.43Å; Y223-R227 HydrophobicContact CE2-CG 3.78Å; Y223-R227 PolarHBondContact O-N 3.17Å; Y223-R227 WeakPolarHBondContact OH-CD 3.24Å; Y223-R227 PolarHBondContact OH-NH1 3.02Å; Y223-R227 VanDerWaalsContact OH-NH1 3.09Å; Y223-Y231 HydrophobicContact CE2-CE1 4.5Å
224	L	96.8	Very high	95.1	Very high	75 Å²	75	65.3 Å²	65.3	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-42.3	178.8	-70.9	170.4	0	0	0	111.2	F124 A220 E222 R227 Q228	F124-L224 HydrophobicContact CE1-CD2 4.49Å; A220-L224 WeakPolarHBondContact O-CB 3.42Å; A220-L224 VanDerWaalsContact O-CG 3.26Å; A220-L224 WeakPolarHBondContact O-CG 3.27Å; A220-L224 PolarHBondContact O-N 2.75Å; E222-L224 PolarHBondContact O-N 2.98Å; L224-R227 PolarHBondContact O-N 3.37Å; L224-Q228 PolarHBondContact O-N 3.06Å
225	R	97.6	Very high	95.1	Very high	147 Å²	147	65.4 Å²	65.4	56%	0.555	33%	0.327	S	S	*	.	H	α-helix	trans	-63.5	-42.3	174.2	-172.7	-176.2	-64	144.2	0.1	111.7	T221 E222 Y223 R227 Q228 N229	T221-R225 WeakPolarHBondContact O-CB 3.35Å; T221-R225 PolarHBondContact O-N 2.79Å; T221-R225 VanDerWaalsContact O-N 3.07Å; E222-R225 PolarHBondContact O-N 2.95Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.02Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-R227 PolarHBondContact O-N 3.17Å; R225-Q228 PolarHBondContact O-N 3.41Å; R225-N229 WeakPolarHBondContact O-CB 3.47Å; R225-N229 VanDerWaalsContact O-CG 3.28Å; R225-N229 PolarHBondContact O-N 3.2Å; R225-N229 PolarHBondContact O-ND2 2.94Å
226	A	96.6	Very high	95.1	Very high	16 Å²	16	64.2 Å²	64.2	13%	0.132	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-43.2	176	0	0	0	0	0	111.1	Y45 E222 Y223 Q228 N229 G230 Y231	Y45-A226 HydrophobicContact CE1-CB 4.4Å; Y45-A226 HydrophobicContact CE2-CB 3.96Å; E222-A226 WeakPolarHBondContact O-CB 3.27Å; E222-A226 PolarHBondContact O-N 3.45Å; Y223-A226 WeakPolarHBondContact O-CB 3.4Å; Y223-A226 PolarHBondContact O-N 3.47Å; Y223-A226 VanDerWaalsContact O-N 3.16Å; A226-Q228 PolarHBondContact O-N 2.95Å; A226-N229 CarbonylContact O-C 3.51Å; A226-N229 WeakPolarHBondContact O-CA 3.32Å; A226-N229 PolarHBondContact O-N 3.45Å; A226-N229 VanDerWaalsContact O-N 3.13Å; A226-G230 PolarHBondContact O-N 3.08Å; A226-Y231 HydrophobicContact CB-CG 4.48Å; A226-Y231 VanDerWaalsContact O-CB 3.26Å; A226-Y231 WeakPolarHBondContact O-CB 3.48Å; A226-Y231 PolarHBondContact O-N 2.94Å
227	R	94.7	Very high	95	Very high	75 Å²	75	66.6 Å²	66.6	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-39.9	175.8	-79.2	-164.8	63.4	-170.4	-1.7	113.2	Y223 L224 R225 N229 G230 Y231 R232	Y223-R227 HydrophobicContact CD2-CG 4.27Å; Y223-R227 VanDerWaalsContact CE2-CD 3.43Å; Y223-R227 HydrophobicContact CE2-CG 3.78Å; Y223-R227 PolarHBondContact O-N 3.17Å; Y223-R227 WeakPolarHBondContact OH-CD 3.24Å; Y223-R227 PolarHBondContact OH-NH1 3.02Å; Y223-R227 VanDerWaalsContact OH-NH1 3.09Å; L224-R227 PolarHBondContact O-N 3.37Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-R227 PolarHBondContact O-N 3.17Å; R227-N229 VanDerWaalsContact C-N 3.27Å; R227-N229 PolarHBondContact O-N 3.07Å; R227-G230 PolarHBondContact O-N 3.09Å; R227-Y231 HydrophobicContact CG-CD1 3.96Å; R227-R232 PolarHBondContact O-NH1 2.85Å
228	Q	95.3	Very high	94.8	Very high	167 Å²	167	67.3 Å²	67.3	78%	0.78	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-36.6	173.3	-171.9	178.4	10.3	0	0	111.4	L224 R225 A226 G230	L224-Q228 PolarHBondContact O-N 3.06Å; R225-Q228 PolarHBondContact O-N 3.41Å; A226-Q228 PolarHBondContact O-N 2.95Å; Q228-G230 PolarHBondContact O-N 2.84Å
229	N	95.6	Very high	94.5	Very high	127 Å²	127	71.7 Å²	71.7	68%	0.679	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	12.6	177.1	-66.6	-14.4	0	0	0	114.1	R225 A226 R227	R225-N229 WeakPolarHBondContact O-CB 3.47Å; R225-N229 VanDerWaalsContact O-CG 3.28Å; R225-N229 PolarHBondContact O-N 3.2Å; R225-N229 PolarHBondContact O-ND2 2.94Å; A226-N229 CarbonylContact O-C 3.51Å; A226-N229 WeakPolarHBondContact O-CA 3.32Å; A226-N229 PolarHBondContact O-N 3.45Å; A226-N229 VanDerWaalsContact O-N 3.13Å; R227-N229 VanDerWaalsContact C-N 3.27Å; R227-N229 PolarHBondContact O-N 3.07Å
230	G	92.3	Very high	94.2	Very high	51 Å²	51	72.1 Å²	72.1	53%	0.526	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	5.8	172.4	0	0	0	0	0	116.3	A226 R227 Q228 R232	A226-G230 PolarHBondContact O-N 3.08Å; R227-G230 PolarHBondContact O-N 3.09Å; Q228-G230 PolarHBondContact O-N 2.84Å; G230-R232 PolarHBondContact O-N 3.22Å
231	Y	91.3	Very high	93.9	Very high	28 Å²	28	77.7 Å²	77.7	11%	0.11	38%	0.383	C	S	.	.			trans	-56.1	129.9	170.1	163.7	-97.2	0	0	0	110.4	E42 Y45 D49 Y223 A226 R227	E42-Y231 HydrophobicContact CB-CE2 4.47Å; E42-Y231 HydrophobicContact CG-CE2 4.23Å; Y45-Y231 WeakPolarHBondContact CB-OH 3.39Å; Y45-Y231 HydrophobicContact CD2-CD1 4.25Å; Y45-Y231 AromaticContact CD2-CD2 3.81Å; Y45-Y231 HydrophobicContact CD2-CD2 3.81Å; Y45-Y231 HydrophobicContact CD2-CE1 4.19Å; Y45-Y231 AromaticContact CD2-CE2 3.71Å; Y45-Y231 HydrophobicContact CD2-CE2 3.71Å; Y45-Y231 HydrophobicContact CD2-CG 4.09Å; Y45-Y231 AromaticContact CD2-CZ 3.92Å; Y45-Y231 HydrophobicContact CE2-CD2 4.47Å; Y45-Y231 HydrophobicContact CG-CE1 4.2Å; Y45-Y231 HydrophobicContact CG-CE2 4.37Å; D49-Y231 WeakPolarHBondContact OD2-CE1 3.48Å; D49-Y231 PolarHBondContact OD2-OH 3.02Å; D49-Y231 VanDerWaalsContact OD2-OH 3.04Å; Y223-Y231 HydrophobicContact CE2-CE1 4.5Å; A226-Y231 HydrophobicContact CB-CG 4.48Å; A226-Y231 VanDerWaalsContact O-CB 3.26Å; A226-Y231 WeakPolarHBondContact O-CB 3.48Å; A226-Y231 PolarHBondContact O-N 2.94Å; R227-Y231 HydrophobicContact CG-CD1 3.96Å
232	R	87.6	Confident	93.6	Very high	155 Å²	155	78.4 Å²	78.4	59%	0.585	38%	0.38	S	S	*	.			trans	-140.7	151.1	170.6	-61.7	-64.7	-178.6	-88.9	-1	107.9	R227 G230	R227-R232 PolarHBondContact O-NH1 2.85Å; G230-R232 PolarHBondContact O-N 3.22Å
233	V	79.8	Confident	93.2	Very high	36 Å²	36	79.7 Å²	79.7	22%	0.218	39%	0.387	C	S	.	.			trans	-61	0	178.6	176.6	0	0	0	0	112.3	F46 D49 P61 P62 P64 K65	F46-V233 HydrophobicContact CD2-CG1 3.97Å; F46-V233 HydrophobicContact CD2-CG2 4.17Å; F46-V233 HydrophobicContact CE2-CG1 4.24Å; D49-V233 HydrophobicContact CB-CG2 4.24Å; D49-V233 WeakPolarHBondContact OD2-CG2 3.47Å; P61-V233 HydrophobicContact CB-CG2 4.4Å; P62-V233 HydrophobicContact CG-CG1 4.31Å; P62-V233 WeakPolarHBondContact O-CG1 3.33Å; P64-V233 VanDerWaalsContact CA-CG1 3.4Å; P64-V233 HydrophobicContact CB-CG1 3.8Å; K65-V233 PolarHBondContact N-OXT 3.36Å

Retrieved 233 of 233 residues in 82.2 ms (Link to these results)

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