A0A3Q0KSU7_SCHMA Loading...

SPARC_Ca_bdg domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 260 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	41.3	Very low	47.7	Very low	224 Å²	224	151.2 Å²	151.2	100%	1.103	74%	0.736	S	S	*	*				0	116.6	0	-94.5	161.9	68.1	0	0	108.3
2	H	44.5	Very low	47.6	Very low	168 Å²	168	147.3 Å²	147.3	78%	0.778	73%	0.728	S	S	*	*			trans	50.7	82.6	168.7	-52.8	-51.3	0	0	0	119
3	L	48.5	Very low	47.6	Very low	138 Å²	138	141.8 Å²	141.8	72%	0.723	71%	0.714	S	S	*	*	S	Bend	trans	-161.5	-16.1	141.9	-134.2	77.3	0	0	0	114.8	T6	L3-T6 PolarHBondContact O-OG1 2.8Å
4	Y	47.8	Very low	47.4	Very low	214 Å²	214	147.1 Å²	147.1	84%	0.839	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-3.5	-175.8	-74.9	-80.2	0	0	0	116
5	L	50.5	Low	47	Very low	161 Å²	161	147.9 Å²	147.9	84%	0.843	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-8.6	-179.6	-90.6	152.9	0	0	0	114.2
6	T	49.8	Very low	46.8	Very low	95 Å²	95	146 Å²	146	58%	0.583	73%	0.729	S	S	*	*	S	Bend	trans	-91.8	-19.9	-176.6	45.9	0	0	0	0	114.1	L3 A9	L3-T6 PolarHBondContact O-OG1 2.8Å; T6-A9 PolarHBondContact O-N 2.94Å
7	I	52.8	Low	46.7	Very low	108 Å²	108	145.1 Å²	145.1	55%	0.554	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-81.1	-26.3	-177.2	-59.9	177.8	0	0	0	112	A9 L10	I7-A9 PolarHBondContact O-N 2.99Å; I7-L10 PolarHBondContact O-N 3.18Å
8	F	47.8	Very low	46.6	Very low	170 Å²	170	143.1 Å²	143.1	75%	0.746	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-68.2	-17.8	172.2	-95.9	-81.8	0	0	0	113.5	L10	F8-L10 VanDerWaalsContact C-N 3.34Å
9	A	49.2	Very low	46.6	Very low	58 Å²	58	144.1 Å²	144.1	48%	0.479	74%	0.737	S	S	.	*	G	3₁₀ helix	trans	-80.3	-12.8	177.3	0	0	0	0	0	113.7	T6 I7 S13	T6-A9 PolarHBondContact O-N 2.94Å; I7-A9 PolarHBondContact O-N 2.99Å; A9-S13 PolarHBondContact O-OG 3.48Å
10	L	46.9	Very low	46.7	Very low	130 Å²	130	145 Å²	145	68%	0.681	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-11.2	-178.5	-70.7	173.6	0	0	0	114	I7 F8	I7-L10 PolarHBondContact O-N 3.18Å; F8-L10 VanDerWaalsContact C-N 3.34Å
11	Y	46.1	Very low	46.6	Very low	197 Å²	197	144.6 Å²	144.6	77%	0.773	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-14.4	177.8	-92	-85.3	0	0	0	114.7
12	T	46.6	Very low	46.9	Very low	104 Å²	104	143.5 Å²	143.5	64%	0.638	72%	0.723	S	S	*	*	S	Bend	trans	-93.2	-2.4	178.8	52.2	0	0	0	0	114.3
13	S	46.5	Very low	46.8	Very low	77 Å²	77	140.1 Å²	140.1	54%	0.538	71%	0.714	S	S	.	*	S	Bend	trans	-99.5	3.8	-172.3	-51.2	0	0	0	0	115	A9	A9-S13 PolarHBondContact O-OG 3.48Å
14	Y	45.3	Very low	46.5	Very low	215 Å²	215	141.7 Å²	141.7	84%	0.843	72%	0.715	S	S	*	*	S	Bend	trans	-123.6	9.1	-177.1	-83	-77.3	0	0	0	115.8
15	L	41.3	Very low	46.5	Very low	160 Å²	160	136.7 Å²	136.7	84%	0.838	71%	0.709	S	S	*	*			trans	-119.3	29.4	177.1	-95.2	154.6	0	0	0	112.8	L17	L15-L17 PolarHBondContact O-N 3.31Å
16	V	43.8	Very low	46.6	Very low	117 Å²	117	135.8 Å²	135.8	71%	0.709	71%	0.705	S	S	*	*			trans	-86.9	94.2	167.6	-179.1	0	0	0	0	108.6
17	L	45.6	Very low	46.8	Very low	131 Å²	131	138.2 Å²	138.2	69%	0.686	71%	0.714	S	S	*	*			trans	51.3	76.4	132.4	-52.7	174.5	0	0	0	116.4	L15 Q19	L15-L17 PolarHBondContact O-N 3.31Å; L17-Q19 PolarHBondContact O-N 2.76Å
18	A	44.5	Very low	46.9	Very low	108 Å²	108	140.6 Å²	140.6	89%	0.893	72%	0.723	S	S	*	*			trans	-89	58.7	142.1	0	0	0	0	0	108.6	E20	A18-E20 PolarHBondContact O-N 3.18Å
19	Q	46.3	Very low	47.3	Very low	163 Å²	163	136.9 Å²	136.9	76%	0.762	72%	0.718	S	S	*	*			trans	-84.2	89	150.6	-89.4	178.9	-53.2	0	0	104	L17 D21	L17-Q19 PolarHBondContact O-N 2.76Å; Q19-D21 PolarHBondContact O-N 3.4Å
20	E	48.2	Very low	48.2	Very low	162 Å²	162	141.2 Å²	141.2	76%	0.757	73%	0.734	S	S	*	*			trans	-56.2	94.6	160.2	-130.6	166.1	-175.4	0	0	105	A18 Y22	A18-E20 PolarHBondContact O-N 3.18Å; E20-Y22 HydrophobicContact CB-CD2 4.45Å; E20-Y22 PolarHBondContact O-N 3.1Å
21	D	45.7	Very low	50.1	Low	137 Å²	137	142.6 Å²	142.6	73%	0.733	74%	0.736	S	S	*	*			trans	-61.2	92.2	167.2	-158.8	1.6	0	0	0	104.1	Q19 T23	Q19-D21 PolarHBondContact O-N 3.4Å; D21-T23 PolarHBondContact O-N 3.2Å; D21-T23 PolarHBondContact O-OG1 3.03Å
22	Y	46.7	Very low	52.2	Low	200 Å²	200	137.7 Å²	137.7	78%	0.784	72%	0.723	S	S	*	*			trans	-64.3	75.2	164.3	-96.6	-94.7	0	0	0	105.5	E20 K24	E20-Y22 HydrophobicContact CB-CD2 4.45Å; E20-Y22 PolarHBondContact O-N 3.1Å; Y22-K24 PolarHBondContact O-N 2.94Å
23	T	43.3	Very low	54.4	Low	98 Å²	98	136.7 Å²	136.7	60%	0.601	72%	0.719	S	S	*	*			trans	-64.3	88	159.1	-40.4	0	0	0	0	104.1	D21 P25	D21-T23 PolarHBondContact O-N 3.2Å; D21-T23 PolarHBondContact O-OG1 3.03Å; T23-P25 WeakPolarHBondContact O-CD 3.19Å
24	K	41.4	Very low	56.8	Low	171 Å²	171	134.5 Å²	134.5	74%	0.743	70%	0.703	S	S	*	*			trans	-49.2	116.5	162	-169.4	-177.4	-177.6	-168.5	0	103.8	Y22 D26	Y22-K24 PolarHBondContact O-N 2.94Å; K24-D26 PolarHBondContact O-N 3.15Å; K24-D26 VanDerWaalsContact O-N 3.16Å
25	P	49.4	Very low	59.1	Low	108 Å²	108	130.7 Å²	130.7	70%	0.701	69%	0.693	S	S	*	*			trans	-50.5	131.6	-179.4	-21.6	30.8	0	0	0	106.6	T23 D27	T23-P25 WeakPolarHBondContact O-CD 3.19Å; P25-D27 PolarHBondContact O-N 2.76Å
26	D	52.2	Low	61.5	Low	143 Å²	143	130 Å²	130	77%	0.765	69%	0.691	S	S	*	*			trans	-44.4	113.5	169.1	-67.1	-51.3	0	0	0	105.9	K24 E28	K24-D26 PolarHBondContact O-N 3.15Å; K24-D26 VanDerWaalsContact O-N 3.16Å; D26-E28 PolarHBondContact O-N 2.88Å
27	D	52.9	Low	64	Low	146 Å²	146	126.8 Å²	126.8	78%	0.781	67%	0.671	S	S	*	*			trans	-67.4	72.7	167.9	-153.1	5.1	0	0	0	102.7	P25 S29	P25-D27 PolarHBondContact O-N 2.76Å; D27-S29 PolarHBondContact O-N 3.1Å
28	E	54.5	Low	66.3	Low	158 Å²	158	130.2 Å²	130.2	74%	0.738	68%	0.68	S	S	*	*			trans	-52.3	97.6	155.4	-88.6	-173.7	159.1	0	0	102	D26 D30	D26-E28 PolarHBondContact O-N 2.88Å; E28-D30 PolarHBondContact O-N 2.65Å
29	S	57.7	Low	68.8	Low	92 Å²	92	127 Å²	127	64%	0.643	65%	0.65	S	S	*	*			trans	-58.8	92.1	171.6	54.2	0	0	0	0	104.4	D27 E31	D27-S29 PolarHBondContact O-N 3.1Å; S29-E31 PolarHBondContact O-N 2.75Å
30	D	68.4	Low	71.1	Confident	149 Å²	149	125.4 Å²	125.4	80%	0.797	64%	0.641	S	S	*	*			trans	-57.9	87.1	168.1	-81.1	-33.5	0	0	0	104.9	E28 D32	E28-D30 PolarHBondContact O-N 2.65Å; D30-D32 PolarHBondContact O-N 3.41Å; D30-D32 VanDerWaalsContact O-N 3.12Å
31	E	84.9	Confident	73.2	Confident	159 Å²	159	123 Å²	123	74%	0.743	63%	0.633	S	S	*	*			trans	-53.5	121.7	172.4	-71.6	-176.9	174.4	0	0	105.8	S29 P33	S29-E31 PolarHBondContact O-N 2.75Å; E31-P33 VanDerWaalsContact O-CD 3.24Å; E31-P33 WeakPolarHBondContact O-CD 3.42Å
32	D	91.5	Very high	75.6	Confident	93 Å²	93	116.7 Å²	116.7	50%	0.497	60%	0.6	S	S	.	*			trans	-58	115.5	179.5	170.3	9.6	0	0	0	107.3	D30 C34 E35	D30-D32 PolarHBondContact O-N 3.41Å; D30-D32 VanDerWaalsContact O-N 3.12Å; D32-C34 PolarHBondContact O-N 3.47Å; D32-C34 WeakPolarHBondContact OD1-CA 3.38Å; D32-C34 VanDerWaalsContact OD1-CB 3.3Å; D32-C34 WeakPolarHBondContact OD1-CB 3.23Å; D32-C34 PolarHBondContact OD1-N 2.75Å; D32-E35 HydrophobicContact CB-CB 4.16Å; D32-E35 WeakPolarHBondContact O-CB 2.85Å; D32-E35 PolarHBondContact O-N 3.39Å
33	P	93	Very high	78	Confident	84 Å²	84	109.1 Å²	109.1	55%	0.545	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.5	-14.7	-177.1	27	-36.2	0	0	0	111.9	E31 V37 G48	E31-P33 VanDerWaalsContact O-CD 3.24Å; E31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-V37 WeakPolarHBondContact O-CG2 3.34Å; P33-G48 WeakPolarHBondContact O-CA 3.42Å
34	C	95.5	Very high	80.5	Confident	31 Å²	31	108 Å²	108	21%	0.209	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	-97.4	-4.4	177.1	-67.3	0	0	0	0	115	D32 N36 V37 C45	D32-C34 PolarHBondContact O-N 3.47Å; D32-C34 WeakPolarHBondContact OD1-CA 3.38Å; D32-C34 VanDerWaalsContact OD1-CB 3.3Å; D32-C34 WeakPolarHBondContact OD1-CB 3.23Å; D32-C34 PolarHBondContact OD1-N 2.75Å; C34-N36 PolarHBondContact O-N 3.41Å; C34-N36 VanDerWaalsContact O-N 3.12Å; C34-V37 PolarHBondContact O-N 3.35Å; C34-V37 VanDerWaalsContact O-N 3.09Å; C34-C45 WeakPolarHBondContact CA-SG 3.38Å; C34-C45 HydrophobicContact CB-CB 3.62Å; C34-C45 WeakPolarHBondContact CB-SG 3.38Å; C34-C45 VanDerWaalsContact SG-C 3.6Å; C34-C45 WeakPolarHBondContact SG-CB 3.42Å; C34-C45 CovalentContact SG-SG 2.03Å; C34-C45 PolarHBondContact SG-SG 2.85Å
35	E	93.6	Very high	83.1	Confident	134 Å²	134	101.2 Å²	101.2	63%	0.626	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.9	-172.7	-172.6	175.6	-174.4	0	0	113	D32	D32-E35 HydrophobicContact CB-CB 4.16Å; D32-E35 WeakPolarHBondContact O-CB 2.85Å; D32-E35 PolarHBondContact O-N 3.39Å
36	N	92.8	Very high	85.2	Confident	147 Å²	147	100 Å²	100	79%	0.786	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	9.7	-177.8	-69.9	-63.8	0	0	0	114	C34	C34-N36 PolarHBondContact O-N 3.41Å; C34-N36 VanDerWaalsContact O-N 3.12Å
37	V	96	Very high	87.2	Confident	49 Å²	49	101.7 Å²	101.7	30%	0.297	52%	0.521	S	S	.	.			trans	-88.7	116.6	-174.8	179.1	0	0	0	0	110.9	P33 C34 C45 C50	P33-V37 WeakPolarHBondContact O-CG2 3.34Å; C34-V37 PolarHBondContact O-N 3.35Å; C34-V37 VanDerWaalsContact O-N 3.09Å; V37-C45 HydrophobicContact CB-CB 4.29Å; V37-C45 HydrophobicContact CG1-CB 4.08Å; V37-C50 WeakPolarHBondContact CG1-SG 3.27Å
38	K	94.8	Very high	89.2	Confident	202 Å²	202	96 Å²	96	88%	0.878	50%	0.497	S	S	*	.			trans	-98.3	101.3	175.3	-66.2	-175.9	-178.8	-179.7	0	111.1
39	C	95.8	Very high	91.2	Very high	40 Å²	40	95.9 Å²	95.9	27%	0.27	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-85.3	153.9	176.1	-60	0	0	0	0	112.7	E43 C50	C39-E43 HydrophobicContact CB-CB 3.72Å; C39-C50 WeakPolarHBondContact CA-SG 3.28Å; C39-C50 HydrophobicContact CB-CB 3.76Å; C39-C50 WeakPolarHBondContact CB-SG 3.41Å; C39-C50 WeakPolarHBondContact SG-CA 3.24Å; C39-C50 WeakPolarHBondContact SG-CB 3.19Å; C39-C50 CovalentContact SG-SG 2.04Å; C39-C50 PolarHBondContact SG-SG 3.01Å
40	K	94	Very high	93.1	Very high	131 Å²	131	93.9 Å²	93.9	57%	0.57	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-74.5	167.1	175.2	-64.7	-179.3	176.6	-179.1	0	110.4	G42 E43	K40-G42 PolarHBondContact O-N 2.88Å; K40-E43 WeakPolarHBondContact CB-OE2 3.16Å; K40-E43 PolarHBondContact N-OE2 3.02Å; K40-E43 WeakPolarHBondContact O-CB 3.31Å; K40-E43 PolarHBondContact O-N 3.43Å
41	L	93.5	Very high	94.5	Very high	111 Å²	111	89 Å²	89	58%	0.581	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	134.7	169.4	-65.5	173.7	0	0	0	110.2	E43 W81	L41-E43 VanDerWaalsContact C-N 3.33Å; L41-W81 HydrophobicContact CB-CB 4.19Å; L41-W81 HydrophobicContact CB-CD2 3.93Å; L41-W81 HydrophobicContact CB-CE3 4.35Å; L41-W81 HydrophobicContact CB-CG 3.86Å; L41-W81 HydrophobicContact CD1-CD2 4.34Å; L41-W81 HydrophobicContact CD1-CZ2 4.09Å; L41-W81 HydrophobicContact CD2-CD2 4.36Å; L41-W81 HydrophobicContact CD2-CE3 4.21Å; L41-W81 HydrophobicContact CD2-CH2 4.24Å; L41-W81 HydrophobicContact CD2-CZ2 4.37Å; L41-W81 HydrophobicContact CD2-CZ3 4.15Å; L41-W81 HydrophobicContact CG-CD2 4.44Å
42	G	95.4	Very high	95.1	Very high	4 Å²	4	81.9 Å²	81.9	4%	0.041	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-0.1	-176.9	0	0	0	0	0	114.8	K40 C52 L53	K40-G42 PolarHBondContact O-N 2.88Å; G42-C52 WeakPolarHBondContact O-CA 3.49Å; G42-L53 PolarHBondContact O-N 3.41Å
43	E	97.1	Very high	95.3	Very high	41 Å²	41	78.9 Å²	78.9	19%	0.192	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156	177.5	-66.3	166.3	-172.8	0	0	111.4	C39 K40 L41 C50 S51 C85 R88	C39-E43 HydrophobicContact CB-CB 3.72Å; K40-E43 WeakPolarHBondContact CB-OE2 3.16Å; K40-E43 PolarHBondContact N-OE2 3.02Å; K40-E43 WeakPolarHBondContact O-CB 3.31Å; K40-E43 PolarHBondContact O-N 3.43Å; L41-E43 VanDerWaalsContact C-N 3.33Å; E43-C50 HydrophobicContact CB-CB 4.22Å; E43-C50 WeakPolarHBondContact OE2-CB 3.37Å; E43-S51 CarbonylContact C-O 3.48Å; E43-S51 WeakPolarHBondContact CA-O 3.29Å; E43-C85 HydrophobicContact CG-CB 4.46Å; E43-C85 WeakPolarHBondContact CG-SG 3.44Å; E43-R88 IonicContact OE1-CZ 3.3Å; E43-R88 IonicContact OE1-NE 2.72Å; E43-R88 IonicContact OE1-NH2 3.5Å; E43-R88 PolarHBondContact OE1-NH2 2.74Å
44	M	95.6	Very high	95.4	Very high	75 Å²	75	78.6 Å²	78.6	37%	0.369	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.8	168.5	61.9	175	-64.8	0	0	109.7	K46 C50 S51 L53	M44-K46 HydrophobicContact CE-CG 4.02Å; M44-K46 HydrophobicContact CG-CG 4.37Å; M44-K46 VanDerWaalsContact SD-CE 3.57Å; M44-K46 HydrophobicContact SD-CG 4.46Å; M44-C50 WeakPolarHBondContact O-CA 3.28Å; M44-S51 PolarHBondContact N-O 3.47Å; M44-S51 PolarHBondContact O-N 3.22Å; M44-L53 HydrophobicContact CB-CD2 3.77Å; M44-L53 HydrophobicContact CB-CG 4.42Å; M44-L53 HydrophobicContact CG-CD2 3.88Å; M44-L53 HydrophobicContact SD-CD2 3.87Å
45	C	96.6	Very high	95.4	Very high	28 Å²	28	81 Å²	81	19%	0.189	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.3	172.9	-177.4	0	0	0	0	110.4	C34 V37 G48 K49	C34-C45 WeakPolarHBondContact CA-SG 3.38Å; C34-C45 HydrophobicContact CB-CB 3.62Å; C34-C45 WeakPolarHBondContact CB-SG 3.38Å; C34-C45 VanDerWaalsContact SG-C 3.6Å; C34-C45 WeakPolarHBondContact SG-CB 3.42Å; C34-C45 CovalentContact SG-SG 2.03Å; C34-C45 PolarHBondContact SG-SG 2.85Å; V37-C45 HydrophobicContact CB-CB 4.29Å; V37-C45 HydrophobicContact CG1-CB 4.08Å; C45-G48 VanDerWaalsContact SG-CA 3.58Å; C45-K49 WeakPolarHBondContact CA-O 3.34Å
46	K	94.3	Very high	95.4	Very high	82 Å²	82	75.3 Å²	75.3	36%	0.357	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.2	167.9	-65.1	-176.1	-178.4	179.1	0	107.1	M44 G48 K49 D54	M44-K46 HydrophobicContact CE-CG 4.02Å; M44-K46 HydrophobicContact CG-CG 4.37Å; M44-K46 VanDerWaalsContact SD-CE 3.57Å; M44-K46 HydrophobicContact SD-CG 4.46Å; K46-G48 PolarHBondContact O-N 3.47Å; K46-K49 PolarHBondContact N-O 3.21Å; K46-K49 PolarHBondContact O-N 3.05Å; K46-K49 VanDerWaalsContact O-O 3.09Å; K46-D54 IonicContact NZ-OD2 2.66Å; K46-D54 PolarHBondContact NZ-OD2 2.89Å
47	E	93.4	Very high	95.4	Very high	179 Å²	179	70.8 Å²	70.8	84%	0.836	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	43	177.1	-57.7	175.1	-177.7	0	0	112.9	K49	E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.14Å
48	G	95	Very high	95.3	Very high	27 Å²	27	73.3 Å²	73.3	28%	0.278	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	8	-179.6	0	0	0	0	0	115.8	P33 C45 K46	P33-G48 WeakPolarHBondContact O-CA 3.42Å; C45-G48 VanDerWaalsContact SG-CA 3.58Å; K46-G48 PolarHBondContact O-N 3.47Å
49	K	96.3	Very high	95.2	Very high	156 Å²	156	69.4 Å²	69.4	68%	0.678	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.5	178.7	-65.2	179.1	-174.8	170	0	112	C45 K46 E47 S51	C45-K49 WeakPolarHBondContact CA-O 3.34Å; K46-K49 PolarHBondContact N-O 3.21Å; K46-K49 PolarHBondContact O-N 3.05Å; K46-K49 VanDerWaalsContact O-O 3.09Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.14Å; K49-S51 PolarHBondContact O-N 2.68Å
50	C	97.3	Very high	95	Very high	49 Å²	49	69.3 Å²	69.3	33%	0.331	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.3	173.2	-60.7	0	0	0	0	110.8	V37 C39 E43 M44	V37-C50 WeakPolarHBondContact CG1-SG 3.27Å; C39-C50 WeakPolarHBondContact CA-SG 3.28Å; C39-C50 HydrophobicContact CB-CB 3.76Å; C39-C50 WeakPolarHBondContact CB-SG 3.41Å; C39-C50 WeakPolarHBondContact SG-CA 3.24Å; C39-C50 WeakPolarHBondContact SG-CB 3.19Å; C39-C50 CovalentContact SG-SG 2.04Å; C39-C50 PolarHBondContact SG-SG 3.01Å; E43-C50 HydrophobicContact CB-CB 4.22Å; E43-C50 WeakPolarHBondContact OE2-CB 3.37Å; M44-C50 WeakPolarHBondContact O-CA 3.28Å
51	S	97.2	Very high	94.7	Very high	46 Å²	46	68.1 Å²	68.1	32%	0.322	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.2	176.7	-61.7	0	0	0	0	109.2	E43 M44 K49 L53	E43-S51 CarbonylContact C-O 3.48Å; E43-S51 WeakPolarHBondContact CA-O 3.29Å; M44-S51 PolarHBondContact N-O 3.47Å; M44-S51 PolarHBondContact O-N 3.22Å; K49-S51 PolarHBondContact O-N 2.68Å; S51-L53 PolarHBondContact O-N 3.32Å
52	C	97.8	Very high	94.5	Very high	11 Å²	11	67.3 Å²	67.3	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	139.8	175	-57.3	0	0	0	0	111.1	G42 D54 C85 Y86	G42-C52 WeakPolarHBondContact O-CA 3.49Å; C52-D54 PolarHBondContact O-N 3.13Å; C52-C85 WeakPolarHBondContact CA-SG 3.39Å; C52-C85 HydrophobicContact CB-CB 3.81Å; C52-C85 WeakPolarHBondContact CB-SG 3.39Å; C52-C85 WeakPolarHBondContact SG-CB 3.29Å; C52-C85 CovalentContact SG-SG 2.04Å; C52-C85 PolarHBondContact SG-SG 3.38Å; C52-Y86 HydrophobicContact CB-CD1 3.48Å; C52-Y86 VanDerWaalsContact CB-CD1 3.48Å; C52-Y86 HydrophobicContact CB-CE1 3.45Å; C52-Y86 VanDerWaalsContact CB-CE1 3.45Å
53	L	96.9	Very high	94	Very high	30 Å²	30	73.3 Å²	73.3	16%	0.157	40%	0.398	C	S	.	.			trans	-61.3	122.4	177.1	-79.8	168.2	0	0	0	110.6	G42 M44 S51 S55 R82 Y86	G42-L53 PolarHBondContact O-N 3.41Å; M44-L53 HydrophobicContact CB-CD2 3.77Å; M44-L53 HydrophobicContact CB-CG 4.42Å; M44-L53 HydrophobicContact CG-CD2 3.88Å; M44-L53 HydrophobicContact SD-CD2 3.87Å; S51-L53 PolarHBondContact O-N 3.32Å; L53-S55 VanDerWaalsContact C-N 3.28Å; L53-S55 PolarHBondContact O-N 3.46Å; L53-R82 HydrophobicContact CB-CG 3.65Å; L53-R82 HydrophobicContact CD1-CG 4.44Å; L53-R82 PolarHBondContact O-NE 2.86Å; L53-Y86 PolarHBondContact O-OH 2.57Å
54	D	94.9	Very high	93.2	Very high	78 Å²	78	78.5 Å²	78.5	42%	0.417	43%	0.427	S	S	.	.	S	Bend	trans	-68.7	-28.3	179.4	-65.4	-49.2	0	0	0	112.8	K46 C52 R82 R93	K46-D54 IonicContact NZ-OD2 2.66Å; K46-D54 PolarHBondContact NZ-OD2 2.89Å; C52-D54 PolarHBondContact O-N 3.13Å; D54-R82 VanDerWaalsContact C-NH2 3.34Å; D54-R82 PolarHBondContact O-NH2 3.32Å; D54-R93 IonicContact OD1-CZ 3.42Å; D54-R93 IonicContact OD1-NH1 3.32Å; D54-R93 PolarHBondContact OD1-NH1 3.02Å; D54-R93 IonicContact OD1-NH2 2.72Å
55	S	94.8	Very high	92.8	Very high	80 Å²	80	81.8 Å²	81.8	56%	0.559	44%	0.435	S	S	*	.	S	Bend	trans	-151.9	162.8	174.1	59.9	0	0	0	0	109.3	L53	L53-S55 VanDerWaalsContact C-N 3.28Å; L53-S55 PolarHBondContact O-N 3.46Å
56	C	94.3	Very high	92.8	Very high	16 Å²	16	83.8 Å²	83.8	11%	0.108	44%	0.442	C	S	.	.			trans	-76.2	141.7	171.5	-69.6	0	0	0	0	110.7	W60 H76 C78 D79 R82	C56-W60 HydrophobicContact CB-CB 4.04Å; C56-W60 HydrophobicContact CB-CG 4.22Å; C56-H76 PolarHBondContact SG-CE1 3.38Å; C56-C78 WeakPolarHBondContact CA-SG 3.4Å; C56-C78 HydrophobicContact CB-CB 3.92Å; C56-C78 WeakPolarHBondContact CB-SG 3.34Å; C56-C78 WeakPolarHBondContact SG-CB 3.45Å; C56-C78 CovalentContact SG-SG 2.03Å; C56-C78 PolarHBondContact SG-SG 2.89Å; C56-D79 PolarHBondContact SG-OD1 2.99Å; C56-R82 WeakPolarHBondContact SG-CD 3.46Å
57	P	93	Very high	92.8	Very high	52 Å²	52	79.9 Å²	79.9	34%	0.338	43%	0.425	S	S	.	.			trans	-53	147.4	173.6	-25	32.8	0	0	0	111.5	E59 W60	P57-E59 HydrophobicContact CB-CG 3.97Å; P57-E59 PolarHBondContact O-N 3.23Å; P57-E59 VanDerWaalsContact O-N 3.11Å; P57-W60 VanDerWaalsContact O-CB 3.31Å; P57-W60 WeakPolarHBondContact O-CB 3.48Å; P57-W60 PolarHBondContact O-N 2.99Å
58	S	93.3	Very high	92.9	Very high	101 Å²	101	71.6 Å²	71.6	71%	0.706	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-60.2	-28.1	-171	53.2	0	0	0	0	113.9	W60 N61	S58-W60 PolarHBondContact O-N 3.47Å; S58-N61 WeakPolarHBondContact O-CB 3.44Å; S58-N61 PolarHBondContact O-N 2.83Å; S58-N61 VanDerWaalsContact O-N 3.09Å; S58-N61 PolarHBondContact O-ND2 3.43Å
59	E	92	Very high	92.9	Very high	120 Å²	120	70.3 Å²	70.3	56%	0.561	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-55	-34.4	172.7	61.3	-166.7	-162.2	0	0	112.7	P57 N61 S62 Y63	P57-E59 HydrophobicContact CB-CG 3.97Å; P57-E59 PolarHBondContact O-N 3.23Å; P57-E59 VanDerWaalsContact O-N 3.11Å; E59-N61 PolarHBondContact O-N 3.32Å; E59-N61 VanDerWaalsContact O-N 3.17Å; E59-S62 WeakPolarHBondContact O-CB 3.45Å; E59-S62 PolarHBondContact O-N 3.4Å; E59-S62 PolarHBondContact O-OG 3.42Å; E59-Y63 VanDerWaalsContact O-CD2 3.23Å; E59-Y63 WeakPolarHBondContact O-CD2 3.36Å; E59-Y63 WeakPolarHBondContact O-CE2 3.45Å
60	W	92.1	Very high	92.7	Very high	38 Å²	38	67 Å²	67	14%	0.144	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62	-24.1	178	-74.7	82.1	0	0	0	113.1	C56 P57 S58 S62 Y63 H76 E77 C78 W81	C56-W60 HydrophobicContact CB-CB 4.04Å; C56-W60 HydrophobicContact CB-CG 4.22Å; P57-W60 VanDerWaalsContact O-CB 3.31Å; P57-W60 WeakPolarHBondContact O-CB 3.48Å; P57-W60 PolarHBondContact O-N 2.99Å; S58-W60 PolarHBondContact O-N 3.47Å; W60-S62 PolarHBondContact O-N 2.84Å; W60-Y63 WeakPolarHBondContact O-CB 3.45Å; W60-Y63 PolarHBondContact O-N 2.83Å; W60-H76 HydrophobicContact CE3-CB 3.68Å; W60-H76 AromaticContact CE3-CG 3.5Å; W60-H76 AromaticContact CE3-ND1 3.54Å; W60-H76 HydrophobicContact CZ3-CB 3.99Å; W60-H76 PolarHBondContact O-CD2 2.84Å; W60-E77 HydrophobicContact CH2-CB 3.9Å; W60-E77 HydrophobicContact CZ3-CB 3.88Å; W60-C78 HydrophobicContact CD2-CB 3.43Å; W60-C78 VanDerWaalsContact CD2-CB 3.43Å; W60-C78 HydrophobicContact CE3-CB 3.68Å; W60-C78 HydrophobicContact CG-CB 3.96Å; W60-C78 HydrophobicContact CH2-CB 4.03Å; W60-C78 HydrophobicContact CZ2-CB 3.83Å; W60-C78 HydrophobicContact CZ3-CB 3.96Å; W60-W81 HydrophobicContact CH2-CE3 4.43Å; W60-W81 AromaticContact CH2-CH2 3.91Å; W60-W81 HydrophobicContact CH2-CH2 3.91Å; W60-W81 AromaticContact CH2-CZ3 3.58Å; W60-W81 HydrophobicContact CH2-CZ3 3.58Å; W60-W81 HydrophobicContact CZ2-CE3 4.49Å; W60-W81 HydrophobicContact CZ2-CH2 4.35Å; W60-W81 AromaticContact CZ2-CZ3 3.68Å; W60-W81 HydrophobicContact CZ2-CZ3 3.68Å
61	N	88.1	Confident	92.5	Very high	107 Å²	107	67.6 Å²	67.6	57%	0.572	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-68.1	-17.6	177.1	-62.7	-44.2	0	0	0	113	S58 E59	S58-N61 WeakPolarHBondContact O-CB 3.44Å; S58-N61 PolarHBondContact O-N 2.83Å; S58-N61 VanDerWaalsContact O-N 3.09Å; S58-N61 PolarHBondContact O-ND2 3.43Å; E59-N61 PolarHBondContact O-N 3.32Å; E59-N61 VanDerWaalsContact O-N 3.17Å
62	S	88.8	Confident	92.5	Very high	94 Å²	94	66.6 Å²	66.6	66%	0.657	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-83.6	-13.9	173.3	70	0	0	0	0	113.1	E59 W60 N64	E59-S62 WeakPolarHBondContact O-CB 3.45Å; E59-S62 PolarHBondContact O-N 3.4Å; E59-S62 PolarHBondContact O-OG 3.42Å; W60-S62 PolarHBondContact O-N 2.84Å; S62-N64 PolarHBondContact O-N 3.15Å
63	Y	84.8	Confident	92.5	Very high	130 Å²	130	68.5 Å²	68.5	51%	0.51	38%	0.381	S	S	.	.			trans	-87.3	102.5	177	-64.5	-99.2	0	0	0	109	E59 W60 R65	E59-Y63 VanDerWaalsContact O-CD2 3.23Å; E59-Y63 WeakPolarHBondContact O-CD2 3.36Å; E59-Y63 WeakPolarHBondContact O-CE2 3.45Å; W60-Y63 WeakPolarHBondContact O-CB 3.45Å; W60-Y63 PolarHBondContact O-N 2.83Å; Y63-R65 VanDerWaalsContact C-N 3.28Å
64	N	80.7	Confident	92.5	Very high	150 Å²	150	67.3 Å²	67.3	80%	0.802	37%	0.374	S	S	*	.			trans	-88.2	7.6	177.8	66.7	-17	0	0	0	113.5	S62 Q66	S62-N64 PolarHBondContact O-N 3.15Å; N64-Q66 PolarHBondContact O-N 3.44Å; N64-Q66 VanDerWaalsContact O-N 3.13Å
65	R	87.2	Confident	92.5	Very high	143 Å²	143	69.4 Å²	69.4	54%	0.54	38%	0.376	S	S	.	.			trans	-80.3	95.2	179	-177	-177.9	-80.2	-162.9	0.1	109.5	Y63 R75 Y113	Y63-R65 VanDerWaalsContact C-N 3.28Å; R65-R75 CarbonylContact C-O 3.5Å; R65-Y113 HydrophobicContact CG-CD1 4.19Å
66	Q	95.5	Very high	92.4	Very high	71 Å²	71	65.7 Å²	65.7	33%	0.332	35%	0.35	S	S	.	.			trans	-64.8	164.4	167.7	-65.3	178.4	-75.6	0	0	110.8	N64 T73 Y74 R75 Y113 D114	N64-Q66 PolarHBondContact O-N 3.44Å; N64-Q66 VanDerWaalsContact O-N 3.13Å; Q66-T73 HydrophobicContact CB-CG2 4.12Å; Q66-T73 HydrophobicContact CG-CG2 4.36Å; Q66-Y74 WeakPolarHBondContact CA-O 3.16Å; Q66-Y74 WeakPolarHBondContact CB-O 3.38Å; Q66-R75 WeakPolarHBondContact CA-O 2.86Å; Q66-Y113 CarbonylContact O-C 3.17Å; Q66-D114 PolarHBondContact O-N 2.63Å; Q66-D114 VanDerWaalsContact O-N 3.09Å
67	L	95.2	Very high	92.4	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.2	179.3	61	98.6	0	0	0	111.2	V69 T73 Y74 E77 L80 I110 Y113 D114	L67-V69 HydrophobicContact CD1-CB 4.41Å; L67-V69 HydrophobicContact CD1-CG2 3.27Å; L67-T73 WeakPolarHBondContact O-CA 3.48Å; L67-Y74 HydrophobicContact CD1-CD2 4.01Å; L67-Y74 HydrophobicContact CD1-CG 4.09Å; L67-Y74 PolarHBondContact N-O 2.93Å; L67-Y74 VanDerWaalsContact N-O 3.08Å; L67-Y74 PolarHBondContact O-N 3.02Å; L67-E77 HydrophobicContact CD2-CB 4.22Å; L67-E77 HydrophobicContact CD2-CG 3.79Å; L67-L80 HydrophobicContact CD1-CB 4.43Å; L67-L80 HydrophobicContact CD1-CD2 4.21Å; L67-I110 HydrophobicContact CB-CG2 4.11Å; L67-I110 HydrophobicContact CD1-CD1 4.5Å; L67-I110 HydrophobicContact CD1-CG1 4.19Å; L67-I110 HydrophobicContact CD2-CD1 4.32Å; L67-Y113 HydrophobicContact CB-CD1 4.4Å; L67-D114 CarbonylContact C-O 3.14Å; L67-D114 VanDerWaalsContact CA-O 3.25Å; L67-D114 WeakPolarHBondContact CA-O 3.28Å; L67-D114 PolarHBondContact N-O 3.25Å
68	C	95.8	Very high	92.5	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.034	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120	179.4	-175.6	0	0	0	0	110.2	K111 Y112 D114 C116	C68-K111 WeakPolarHBondContact O-CB 3.22Å; C68-K111 PolarHBondContact O-N 2.81Å; C68-Y112 HydrophobicContact CB-CD1 4.44Å; C68-Y112 HydrophobicContact CB-CD2 4.16Å; C68-Y112 HydrophobicContact CB-CE1 4.06Å; C68-Y112 HydrophobicContact CB-CE2 3.75Å; C68-Y112 HydrophobicContact CB-CG 4.49Å; C68-Y112 PolarHBondContact N-O 3.37Å; C68-D114 PolarHBondContact N-O 2.83Å; C68-C116 WeakPolarHBondContact CA-SG 3.48Å; C68-C116 HydrophobicContact CB-CB 3.97Å; C68-C116 WeakPolarHBondContact CB-SG 3.4Å; C68-C116 WeakPolarHBondContact SG-CA 3.35Å; C68-C116 WeakPolarHBondContact SG-CB 3.47Å; C68-C116 CovalentContact SG-SG 2.04Å; C68-C116 PolarHBondContact SG-SG 2.71Å
69	V	95.3	Very high	92.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.9	178.7	175.3	0	0	0	0	108.1	L67 G71 V72 Y74 L80 I110	L67-V69 HydrophobicContact CD1-CB 4.41Å; L67-V69 HydrophobicContact CD1-CG2 3.27Å; V69-G71 PolarHBondContact O-N 2.91Å; V69-V72 PolarHBondContact N-O 3.25Å; V69-V72 WeakPolarHBondContact O-CA 3.38Å; V69-V72 PolarHBondContact O-N 3.42Å; V69-Y74 HydrophobicContact CB-CD2 4.05Å; V69-Y74 HydrophobicContact CB-CE2 3.97Å; V69-Y74 HydrophobicContact CG1-CE2 4.43Å; V69-Y74 HydrophobicContact CG2-CD2 4.24Å; V69-L80 HydrophobicContact CB-CD1 4.4Å; V69-L80 HydrophobicContact CG1-CD1 3.97Å; V69-L80 HydrophobicContact CG2-CD1 4.11Å; V69-L80 HydrophobicContact CG2-CD2 3.8Å; V69-I110 HydrophobicContact CG2-CB 4.41Å; V69-I110 HydrophobicContact CG2-CG1 4.1Å
70	D	92.4	Very high	92.9	Very high	86 Å²	86	54 Å²	54	46%	0.46	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	33.6	177.3	-56.5	-31.8	0	0	0	113.8	V72 H102 S108	D70-V72 VanDerWaalsContact C-N 3.27Å; D70-V72 PolarHBondContact O-N 2.98Å; D70-H102 IonicContact OD2-CE1 3.61Å; D70-H102 PolarHBondContact OD2-CE1 3.25Å; D70-H102 VanDerWaalsContact OD2-CE1 3.27Å; D70-H102 IonicContact OD2-NE2 3.63Å; D70-H102 PolarHBondContact OD2-NE2 2.99Å; D70-H102 VanDerWaalsContact OD2-NE2 3.16Å; D70-S108 WeakPolarHBondContact OD2-CA 3.43Å; D70-S108 WeakPolarHBondContact OD2-CB 3.26Å; D70-S108 PolarHBondContact OD2-OG 2.04Å
71	G	92.9	Very high	93.1	Very high	62 Å²	62	55.3 Å²	55.3	64%	0.639	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	4	-177.3	0	0	0	0	0	115	V69	V69-G71 PolarHBondContact O-N 2.91Å
72	V	96.6	Very high	93.5	Very high	25 Å²	25	50.7 Å²	50.7	15%	0.152	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.6	177	177.3	0	0	0	0	111.6	V69 D70 Y74 H102 C116	V69-V72 PolarHBondContact N-O 3.25Å; V69-V72 WeakPolarHBondContact O-CA 3.38Å; V69-V72 PolarHBondContact O-N 3.42Å; D70-V72 VanDerWaalsContact C-N 3.27Å; D70-V72 PolarHBondContact O-N 2.98Å; V72-Y74 HydrophobicContact CB-CE2 4.35Å; V72-Y74 HydrophobicContact CG1-CD2 4.43Å; V72-Y74 HydrophobicContact CG1-CE2 4.08Å; V72-H102 HydrophobicContact CB-CB 4.18Å; V72-H102 HydrophobicContact CG1-CB 4.17Å; V72-H102 HydrophobicContact CG2-CB 3.81Å; V72-C116 PolarHBondContact N-SG 3.44Å; V72-C116 VanDerWaalsContact N-SG 3.38Å; V72-C116 PolarHBondContact O-SG 2.97Å; V72-C116 VanDerWaalsContact O-SG 3.41Å
73	T	96.9	Very high	94	Very high	50 Å²	50	46.2 Å²	46.2	31%	0.307	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118	175.3	-58.8	0	0	0	0	110.2	Q66 L67 E115 C116	Q66-T73 HydrophobicContact CB-CG2 4.12Å; Q66-T73 HydrophobicContact CG-CG2 4.36Å; L67-T73 WeakPolarHBondContact O-CA 3.48Å; T73-E115 HydrophobicContact CG2-CB 3.82Å; T73-C116 PolarHBondContact OG1-N 3.25Å
74	Y	96.9	Very high	94.6	Very high	6 Å²	6	41.6 Å²	41.6	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.9	166.5	-72.7	-97.3	0	0	0	110.1	Q66 L67 V69 V72 D79 L80 N83 F99 H102	Q66-Y74 WeakPolarHBondContact CA-O 3.16Å; Q66-Y74 WeakPolarHBondContact CB-O 3.38Å; L67-Y74 HydrophobicContact CD1-CD2 4.01Å; L67-Y74 HydrophobicContact CD1-CG 4.09Å; L67-Y74 PolarHBondContact N-O 2.93Å; L67-Y74 VanDerWaalsContact N-O 3.08Å; L67-Y74 PolarHBondContact O-N 3.02Å; V69-Y74 HydrophobicContact CB-CD2 4.05Å; V69-Y74 HydrophobicContact CB-CE2 3.97Å; V69-Y74 HydrophobicContact CG1-CE2 4.43Å; V69-Y74 HydrophobicContact CG2-CD2 4.24Å; V72-Y74 HydrophobicContact CB-CE2 4.35Å; V72-Y74 HydrophobicContact CG1-CD2 4.43Å; V72-Y74 HydrophobicContact CG1-CE2 4.08Å; Y74-D79 HydrophobicContact CD1-CB 3.99Å; Y74-L80 HydrophobicContact CD1-CB 4.04Å; Y74-L80 HydrophobicContact CD2-CD1 4.45Å; Y74-L80 HydrophobicContact CE1-CB 4.28Å; Y74-L80 HydrophobicContact CE1-CD1 4.4Å; Y74-L80 HydrophobicContact CE2-CD1 4.02Å; Y74-L80 HydrophobicContact CG-CB 4.2Å; Y74-N83 HydrophobicContact CE1-CB 4.2Å; Y74-N83 PolarHBondContact OH-ND2 2.7Å; Y74-F99 HydrophobicContact CD1-CD1 4.3Å; Y74-F99 HydrophobicContact CE1-CB 4.38Å; Y74-F99 AromaticContact CE1-CD1 3.72Å; Y74-F99 HydrophobicContact CE1-CD1 3.72Å; Y74-F99 HydrophobicContact CE1-CE1 4.47Å; Y74-F99 HydrophobicContact CE1-CG 4.37Å; Y74-H102 AromaticContact CE2-ND1 3.73Å; Y74-H102 AromaticContact CZ-ND1 3.7Å; Y74-H102 PolarHBondContact OH-ND1 3.36Å
75	R	94.9	Very high	95.4	Very high	121 Å²	121	34.5 Å²	34.5	46%	0.457	17%	0.172	S	C	.	.	S	Bend	trans	-66	-40.7	177.9	-63.9	-170.9	-51	138.8	13.4	112.9	R65 Q66 D79	R65-R75 CarbonylContact C-O 3.5Å; Q66-R75 WeakPolarHBondContact CA-O 2.86Å; R75-D79 IonicContact CZ-OD2 2.97Å; R75-D79 IonicContact NE-OD2 2.89Å; R75-D79 PolarHBondContact NE-OD2 3.26Å; R75-D79 IonicContact NH2-OD2 3.03Å; R75-D79 PolarHBondContact NH2-OD2 2.9Å
76	H	93.5	Very high	96	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.014	15%	0.147	C	C	.	.	S	Bend	trans	-166.4	168.1	179.3	52.7	50.5	0	0	0	109.8	C56 W60 C78 D79	C56-H76 PolarHBondContact SG-CE1 3.38Å; W60-H76 HydrophobicContact CE3-CB 3.68Å; W60-H76 AromaticContact CE3-CG 3.5Å; W60-H76 AromaticContact CE3-ND1 3.54Å; W60-H76 HydrophobicContact CZ3-CB 3.99Å; W60-H76 PolarHBondContact O-CD2 2.84Å; H76-C78 VanDerWaalsContact C-N 3.27Å; H76-C78 PolarHBondContact O-N 3.48Å; H76-C78 VanDerWaalsContact O-N 3.16Å; H76-D79 IonicContact CE1-OD1 3.89Å; H76-D79 IonicContact CE1-OD2 3.42Å; H76-D79 PolarHBondContact CE1-OD2 3.22Å; H76-D79 PolarHBondContact ND1-N 3.5Å; H76-D79 IonicContact NE2-OD2 3.5Å; H76-D79 PolarHBondContact O-N 3.25Å
77	E	94.7	Very high	96.1	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.154	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-35.4	-172	-66.1	89.1	152.9	0	0	113.6	W60 L67 D79 L80 W81 I110 Y113	W60-E77 HydrophobicContact CH2-CB 3.9Å; W60-E77 HydrophobicContact CZ3-CB 3.88Å; L67-E77 HydrophobicContact CD2-CB 4.22Å; L67-E77 HydrophobicContact CD2-CG 3.79Å; E77-D79 VanDerWaalsContact C-N 3.26Å; E77-D79 PolarHBondContact O-N 2.88Å; E77-L80 WeakPolarHBondContact O-CB 2.76Å; E77-L80 PolarHBondContact O-N 3.4Å; E77-W81 HydrophobicContact CB-CD2 4.23Å; E77-W81 HydrophobicContact CB-CE3 4.4Å; E77-W81 HydrophobicContact CB-CH2 3.77Å; E77-W81 HydrophobicContact CB-CZ2 3.55Å; E77-W81 HydrophobicContact CB-CZ3 4.19Å; E77-W81 HydrophobicContact CG-CZ2 4.13Å; E77-W81 PolarHBondContact O-N 2.84Å; E77-I110 HydrophobicContact CG-CD1 3.9Å; E77-Y113 HydrophobicContact CG-CE1 4.49Å; E77-Y113 WeakPolarHBondContact OE1-CE1 3.46Å
78	C	95.5	Very high	96.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-58.5	-35.9	178.1	169.4	0	0	0	0	113.4	C56 W60 H76 L80 W81 R82	C56-C78 WeakPolarHBondContact CA-SG 3.4Å; C56-C78 HydrophobicContact CB-CB 3.92Å; C56-C78 WeakPolarHBondContact CB-SG 3.34Å; C56-C78 WeakPolarHBondContact SG-CB 3.45Å; C56-C78 CovalentContact SG-SG 2.03Å; C56-C78 PolarHBondContact SG-SG 2.89Å; W60-C78 HydrophobicContact CD2-CB 3.43Å; W60-C78 VanDerWaalsContact CD2-CB 3.43Å; W60-C78 HydrophobicContact CE3-CB 3.68Å; W60-C78 HydrophobicContact CG-CB 3.96Å; W60-C78 HydrophobicContact CH2-CB 4.03Å; W60-C78 HydrophobicContact CZ2-CB 3.83Å; W60-C78 HydrophobicContact CZ3-CB 3.96Å; H76-C78 VanDerWaalsContact C-N 3.27Å; H76-C78 PolarHBondContact O-N 3.48Å; H76-C78 VanDerWaalsContact O-N 3.16Å; C78-L80 VanDerWaalsContact C-N 3.35Å; C78-W81 PolarHBondContact O-N 3.35Å; C78-R82 WeakPolarHBondContact O-CB 3.45Å; C78-R82 VanDerWaalsContact O-CG 3.28Å; C78-R82 WeakPolarHBondContact O-CG 3.49Å; C78-R82 PolarHBondContact O-N 3.31Å
79	D	96.3	Very high	96.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-69.9	-35	178.1	-83.3	-30	0	0	0	111	C56 Y74 R75 H76 E77 R82 N83 Q98 F99	C56-D79 PolarHBondContact SG-OD1 2.99Å; Y74-D79 HydrophobicContact CD1-CB 3.99Å; R75-D79 IonicContact CZ-OD2 2.97Å; R75-D79 IonicContact NE-OD2 2.89Å; R75-D79 PolarHBondContact NE-OD2 3.26Å; R75-D79 IonicContact NH2-OD2 3.03Å; R75-D79 PolarHBondContact NH2-OD2 2.9Å; H76-D79 IonicContact CE1-OD1 3.89Å; H76-D79 IonicContact CE1-OD2 3.42Å; H76-D79 PolarHBondContact CE1-OD2 3.22Å; H76-D79 PolarHBondContact ND1-N 3.5Å; H76-D79 IonicContact NE2-OD2 3.5Å; H76-D79 PolarHBondContact O-N 3.25Å; E77-D79 VanDerWaalsContact C-N 3.26Å; E77-D79 PolarHBondContact O-N 2.88Å; D79-R82 IonicContact OD1-NH1 2.68Å; D79-R82 PolarHBondContact OD1-NH1 3.45Å; D79-N83 WeakPolarHBondContact O-CB 3.28Å; D79-N83 PolarHBondContact O-N 3.38Å; D79-N83 VanDerWaalsContact O-N 3.09Å; D79-Q98 PolarHBondContact OD1-NE2 3.4Å; D79-Q98 VanDerWaalsContact OD1-NE2 3.09Å; D79-F99 HydrophobicContact CB-CE1 4.08Å; D79-F99 VanDerWaalsContact O-CE1 3.26Å; D79-F99 WeakPolarHBondContact O-CE1 3.39Å
80	L	96.6	Very high	96.3	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-50.7	172	172.2	64.7	0	0	0	111	L67 V69 Y74 E77 C78 R82 N83 Q84 A104 I110	L67-L80 HydrophobicContact CD1-CB 4.43Å; L67-L80 HydrophobicContact CD1-CD2 4.21Å; V69-L80 HydrophobicContact CB-CD1 4.4Å; V69-L80 HydrophobicContact CG1-CD1 3.97Å; V69-L80 HydrophobicContact CG2-CD1 4.11Å; V69-L80 HydrophobicContact CG2-CD2 3.8Å; Y74-L80 HydrophobicContact CD1-CB 4.04Å; Y74-L80 HydrophobicContact CD2-CD1 4.45Å; Y74-L80 HydrophobicContact CE1-CB 4.28Å; Y74-L80 HydrophobicContact CE1-CD1 4.4Å; Y74-L80 HydrophobicContact CE2-CD1 4.02Å; Y74-L80 HydrophobicContact CG-CB 4.2Å; E77-L80 WeakPolarHBondContact O-CB 2.76Å; E77-L80 PolarHBondContact O-N 3.4Å; C78-L80 VanDerWaalsContact C-N 3.35Å; L80-R82 PolarHBondContact O-N 3.18Å; L80-N83 PolarHBondContact O-N 2.68Å; L80-Q84 HydrophobicContact CD1-CG 4.19Å; L80-Q84 HydrophobicContact CG-CG 4.5Å; L80-Q84 WeakPolarHBondContact O-CG 3.45Å; L80-Q84 PolarHBondContact O-N 2.72Å; L80-A104 HydrophobicContact CD1-CB 4.03Å; L80-I110 HydrophobicContact CD2-CD1 4.41Å; L80-I110 HydrophobicContact CD2-CG1 3.88Å
81	W	97.1	Very high	96.5	Very high	65 Å²	65	35.4 Å²	35.4	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-38.5	-177.3	-57.9	-31.6	0	0	0	112.5	L41 W60 E77 C78 Q84 C85	L41-W81 HydrophobicContact CB-CB 4.19Å; L41-W81 HydrophobicContact CB-CD2 3.93Å; L41-W81 HydrophobicContact CB-CE3 4.35Å; L41-W81 HydrophobicContact CB-CG 3.86Å; L41-W81 HydrophobicContact CD1-CD2 4.34Å; L41-W81 HydrophobicContact CD1-CZ2 4.09Å; L41-W81 HydrophobicContact CD2-CD2 4.36Å; L41-W81 HydrophobicContact CD2-CE3 4.21Å; L41-W81 HydrophobicContact CD2-CH2 4.24Å; L41-W81 HydrophobicContact CD2-CZ2 4.37Å; L41-W81 HydrophobicContact CD2-CZ3 4.15Å; L41-W81 HydrophobicContact CG-CD2 4.44Å; W60-W81 HydrophobicContact CH2-CE3 4.43Å; W60-W81 AromaticContact CH2-CH2 3.91Å; W60-W81 HydrophobicContact CH2-CH2 3.91Å; W60-W81 AromaticContact CH2-CZ3 3.58Å; W60-W81 HydrophobicContact CH2-CZ3 3.58Å; W60-W81 HydrophobicContact CZ2-CE3 4.49Å; W60-W81 HydrophobicContact CZ2-CH2 4.35Å; W60-W81 AromaticContact CZ2-CZ3 3.68Å; W60-W81 HydrophobicContact CZ2-CZ3 3.68Å; E77-W81 HydrophobicContact CB-CD2 4.23Å; E77-W81 HydrophobicContact CB-CE3 4.4Å; E77-W81 HydrophobicContact CB-CH2 3.77Å; E77-W81 HydrophobicContact CB-CZ2 3.55Å; E77-W81 HydrophobicContact CB-CZ3 4.19Å; E77-W81 HydrophobicContact CG-CZ2 4.13Å; E77-W81 PolarHBondContact O-N 2.84Å; C78-W81 PolarHBondContact O-N 3.35Å; W81-Q84 PolarHBondContact O-N 3.03Å; W81-C85 WeakPolarHBondContact O-CB 3.47Å; W81-C85 PolarHBondContact O-N 3.49Å
82	R	96.9	Very high	96.7	Very high	11 Å²	11	38 Å²	38	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-49.3	171.4	-81.3	175.4	68.9	-130	-5.9	111.4	L53 D54 C56 C78 D79 L80 C85 Y86 F99	L53-R82 HydrophobicContact CB-CG 3.65Å; L53-R82 HydrophobicContact CD1-CG 4.44Å; L53-R82 PolarHBondContact O-NE 2.86Å; D54-R82 VanDerWaalsContact C-NH2 3.34Å; D54-R82 PolarHBondContact O-NH2 3.32Å; C56-R82 WeakPolarHBondContact SG-CD 3.46Å; C78-R82 WeakPolarHBondContact O-CB 3.45Å; C78-R82 VanDerWaalsContact O-CG 3.28Å; C78-R82 WeakPolarHBondContact O-CG 3.49Å; C78-R82 PolarHBondContact O-N 3.31Å; D79-R82 IonicContact OD1-NH1 2.68Å; D79-R82 PolarHBondContact OD1-NH1 3.45Å; L80-R82 PolarHBondContact O-N 3.18Å; R82-C85 WeakPolarHBondContact O-CB 3.29Å; R82-C85 PolarHBondContact O-N 2.82Å; R82-Y86 HydrophobicContact CB-CE2 4.3Å; R82-Y86 PolarHBondContact NH2-OH 3.22Å; R82-Y86 WeakPolarHBondContact O-CD2 3.39Å; R82-Y86 VanDerWaalsContact O-CG 3.28Å; R82-Y86 PolarHBondContact O-N 2.75Å; R82-F99 HydrophobicContact CB-CZ 4.39Å
83	N	98	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-44.3	179.9	-168	37.3	0	0	0	112.2	Y74 D79 L80 C85 Y86 C87 G95 F99 H102 A104	Y74-N83 HydrophobicContact CE1-CB 4.2Å; Y74-N83 PolarHBondContact OH-ND2 2.7Å; D79-N83 WeakPolarHBondContact O-CB 3.28Å; D79-N83 PolarHBondContact O-N 3.38Å; D79-N83 VanDerWaalsContact O-N 3.09Å; L80-N83 PolarHBondContact O-N 2.68Å; N83-C85 VanDerWaalsContact C-N 3.26Å; N83-C85 PolarHBondContact O-N 3.03Å; N83-Y86 PolarHBondContact O-N 2.67Å; N83-C87 WeakPolarHBondContact O-CB 3.2Å; N83-C87 PolarHBondContact O-N 3.1Å; N83-C87 PolarHBondContact O-SG 3.32Å; N83-G95 PolarHBondContact OD1-N 2.84Å; N83-F99 HydrophobicContact CB-CB 4.5Å; N83-F99 HydrophobicContact CB-CD1 3.86Å; N83-F99 HydrophobicContact CB-CD2 3.8Å; N83-F99 HydrophobicContact CB-CE1 3.95Å; N83-F99 HydrophobicContact CB-CE2 3.89Å; N83-F99 HydrophobicContact CB-CG 3.78Å; N83-F99 HydrophobicContact CB-CZ 3.96Å; N83-F99 VanDerWaalsContact CG-CD2 3.43Å; N83-F99 VanDerWaalsContact CG-CG 3.49Å; N83-F99 WeakPolarHBondContact OD1-CD2 3.37Å; N83-H102 PolarHBondContact ND2-O 3.29Å; N83-A104 HydrophobicContact CB-CB 4.43Å; N83-A104 WeakPolarHBondContact ND2-CB 3.39Å; N83-A104 PolarHBondContact ND2-N 3.3Å
84	Q	97.9	Very high	96.7	Very high	32 Å²	32	38.7 Å²	38.7	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-40.9	173.2	-73.9	175.8	-29.8	0	0	111.8	L80 W81 R88 A104 N105 S108	L80-Q84 HydrophobicContact CD1-CG 4.19Å; L80-Q84 HydrophobicContact CG-CG 4.5Å; L80-Q84 WeakPolarHBondContact O-CG 3.45Å; L80-Q84 PolarHBondContact O-N 2.72Å; W81-Q84 PolarHBondContact O-N 3.03Å; Q84-R88 VanDerWaalsContact O-CB 3.29Å; Q84-R88 WeakPolarHBondContact O-CB 3.35Å; Q84-R88 PolarHBondContact O-N 2.72Å; Q84-A104 HydrophobicContact CG-CB 3.74Å; Q84-N105 PolarHBondContact NE2-O 2.97Å; Q84-S108 PolarHBondContact NE2-O 3.01Å
85	C	98.1	Very high	96.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-53.6	175.4	-173.4	0	0	0	0	111.2	E43 C52 W81 R82 N83 C87 R88 S89	E43-C85 HydrophobicContact CG-CB 4.46Å; E43-C85 WeakPolarHBondContact CG-SG 3.44Å; C52-C85 WeakPolarHBondContact CA-SG 3.39Å; C52-C85 HydrophobicContact CB-CB 3.81Å; C52-C85 WeakPolarHBondContact CB-SG 3.39Å; C52-C85 WeakPolarHBondContact SG-CB 3.29Å; C52-C85 CovalentContact SG-SG 2.04Å; C52-C85 PolarHBondContact SG-SG 3.38Å; W81-C85 WeakPolarHBondContact O-CB 3.47Å; W81-C85 PolarHBondContact O-N 3.49Å; R82-C85 WeakPolarHBondContact O-CB 3.29Å; R82-C85 PolarHBondContact O-N 2.82Å; N83-C85 VanDerWaalsContact C-N 3.26Å; N83-C85 PolarHBondContact O-N 3.03Å; C85-C87 VanDerWaalsContact C-N 3.25Å; C85-C87 PolarHBondContact O-N 3.2Å; C85-R88 PolarHBondContact O-N 3.24Å; C85-R88 VanDerWaalsContact O-N 3.11Å; C85-S89 PolarHBondContact O-N 3.01Å; C85-S89 PolarHBondContact O-OG 3.16Å; C85-S89 VanDerWaalsContact O-OG 3.12Å
86	Y	98.4	Very high	96.8	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-54.9	-43	179.2	-63.9	-33.6	0	0	0	112	C52 L53 R82 N83 S89 G90 D91 R93 F99	C52-Y86 HydrophobicContact CB-CD1 3.48Å; C52-Y86 VanDerWaalsContact CB-CD1 3.48Å; C52-Y86 HydrophobicContact CB-CE1 3.45Å; C52-Y86 VanDerWaalsContact CB-CE1 3.45Å; L53-Y86 PolarHBondContact O-OH 2.57Å; R82-Y86 HydrophobicContact CB-CE2 4.3Å; R82-Y86 PolarHBondContact NH2-OH 3.22Å; R82-Y86 WeakPolarHBondContact O-CD2 3.39Å; R82-Y86 VanDerWaalsContact O-CG 3.28Å; R82-Y86 PolarHBondContact O-N 2.75Å; N83-Y86 PolarHBondContact O-N 2.67Å; Y86-S89 PolarHBondContact O-N 3.45Å; Y86-S89 PolarHBondContact O-OG 3.12Å; Y86-G90 PolarHBondContact O-N 3.32Å; Y86-G90 VanDerWaalsContact O-N 3.11Å; Y86-D91 HydrophobicContact CD1-CB 3.99Å; Y86-D91 HydrophobicContact CG-CB 4.3Å; Y86-D91 PolarHBondContact O-N 3.4Å; Y86-R93 HydrophobicContact CD1-CB 4.38Å; Y86-R93 HydrophobicContact CD2-CB 3.74Å; Y86-R93 HydrophobicContact CE1-CB 4.46Å; Y86-R93 HydrophobicContact CE2-CB 3.82Å; Y86-R93 HydrophobicContact CG-CB 4.03Å; Y86-R93 PolarHBondContact OH-NH1 3.24Å; Y86-F99 AromaticContact CD2-CE2 3.7Å; Y86-F99 HydrophobicContact CD2-CE2 3.7Å; Y86-F99 HydrophobicContact CD2-CZ 4.21Å; Y86-F99 AromaticContact CE2-CE2 3.74Å; Y86-F99 HydrophobicContact CE2-CE2 3.74Å; Y86-F99 AromaticContact CE2-CZ 3.92Å; Y86-F99 HydrophobicContact CE2-CZ 3.92Å
87	C	98.1	Very high	96.9	Very high	30 Å²	30	41.6 Å²	41.6	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-70.2	-38	179.8	-63.6	0	0	0	0	112.7	N83 C85 C94 A104	N83-C87 WeakPolarHBondContact O-CB 3.2Å; N83-C87 PolarHBondContact O-N 3.1Å; N83-C87 PolarHBondContact O-SG 3.32Å; C85-C87 VanDerWaalsContact C-N 3.25Å; C85-C87 PolarHBondContact O-N 3.2Å; C87-C94 WeakPolarHBondContact CA-SG 3.39Å; C87-C94 HydrophobicContact CB-CB 3.97Å; C87-C94 WeakPolarHBondContact CB-SG 3.36Å; C87-C94 WeakPolarHBondContact SG-CB 3.49Å; C87-C94 CovalentContact SG-SG 2.04Å; C87-C94 PolarHBondContact SG-SG 3.19Å; C87-A104 WeakPolarHBondContact CB-O 3.49Å
88	R	97.1	Very high	96.9	Very high	113 Å²	113	44.5 Å²	44.5	43%	0.426	25%	0.25	S	C	.	.	H	α-helix	trans	-66.1	-36.5	173.9	178.9	172.9	62.8	-128	-1.6	112.4	E43 Q84 C85	E43-R88 IonicContact OE1-CZ 3.3Å; E43-R88 IonicContact OE1-NE 2.72Å; E43-R88 IonicContact OE1-NH2 3.5Å; E43-R88 PolarHBondContact OE1-NH2 2.74Å; Q84-R88 VanDerWaalsContact O-CB 3.29Å; Q84-R88 WeakPolarHBondContact O-CB 3.35Å; Q84-R88 PolarHBondContact O-N 2.72Å; C85-R88 PolarHBondContact O-N 3.24Å; C85-R88 VanDerWaalsContact O-N 3.11Å
89	S	96.1	Very high	96.9	Very high	72 Å²	72	44.5 Å²	44.5	50%	0.503	25%	0.25	S	C	.	.	H	α-helix	trans	-88.2	-2.4	-177.7	67.2	0	0	0	0	114.2	C85 Y86 D91	C85-S89 PolarHBondContact O-N 3.01Å; C85-S89 PolarHBondContact O-OG 3.16Å; C85-S89 VanDerWaalsContact O-OG 3.12Å; Y86-S89 PolarHBondContact O-N 3.45Å; Y86-S89 PolarHBondContact O-OG 3.12Å; S89-D91 PolarHBondContact O-N 2.95Å
90	G	96.5	Very high	96.9	Very high	66 Å²	66	47.9 Å²	47.9	68%	0.68	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	23.3	-175.3	0	0	0	0	0	113.8	Y86	Y86-G90 PolarHBondContact O-N 3.32Å; Y86-G90 VanDerWaalsContact O-N 3.11Å
91	D	97.1	Very high	96.9	Very high	41 Å²	41	52.7 Å²	52.7	22%	0.219	30%	0.299	C	S	.	.			trans	-69	140.5	178.2	-169.4	-63.1	0	0	0	110.5	Y86 S89 R93 C94	Y86-D91 HydrophobicContact CD1-CB 3.99Å; Y86-D91 HydrophobicContact CG-CB 4.3Å; Y86-D91 PolarHBondContact O-N 3.4Å; S89-D91 PolarHBondContact O-N 2.95Å; D91-R93 PolarHBondContact O-N 2.76Å; D91-R93 VanDerWaalsContact O-N 3.12Å; D91-R93 VanDerWaalsContact OD1-CB 3.24Å; D91-R93 WeakPolarHBondContact OD1-CB 2.98Å; D91-R93 VanDerWaalsContact OD1-CG 3.3Å; D91-R93 WeakPolarHBondContact OD1-CG 3.49Å; D91-R93 IonicContact OD1-CZ 3.9Å; D91-R93 PolarHBondContact OD1-N 2.88Å; D91-R93 IonicContact OD1-NE 3.78Å; D91-R93 PolarHBondContact OD1-NE 3.18Å; D91-R93 IonicContact OD1-NH2 3.62Å; D91-R93 IonicContact OD2-CZ 3.77Å; D91-R93 IonicContact OD2-NE 2.88Å; D91-R93 PolarHBondContact OD2-NE 2.93Å; D91-R93 IonicContact OD2-NH2 3.82Å; D91-R93 PolarHBondContact OD2-NH2 3.02Å; D91-C94 VanDerWaalsContact O-CB 3.28Å; D91-C94 WeakPolarHBondContact O-CB 3.49Å; D91-C94 PolarHBondContact O-N 3.21Å
92	S	96.8	Very high	96.9	Very high	118 Å²	118	51 Å²	51	83%	0.825	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.2	-178.9	58.1	0	0	0	0	113.7	C94	S92-C94 VanDerWaalsContact C-N 3.31Å
93	R	97.2	Very high	97	Very high	75 Å²	75	58.8 Å²	58.8	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.2	176	-63.3	171.7	-73.9	-176.7	-3.2	113.7	D54 Y86 D91 G95 N96	D54-R93 IonicContact OD1-CZ 3.42Å; D54-R93 IonicContact OD1-NH1 3.32Å; D54-R93 PolarHBondContact OD1-NH1 3.02Å; D54-R93 IonicContact OD1-NH2 2.72Å; Y86-R93 HydrophobicContact CD1-CB 4.38Å; Y86-R93 HydrophobicContact CD2-CB 3.74Å; Y86-R93 HydrophobicContact CE1-CB 4.46Å; Y86-R93 HydrophobicContact CE2-CB 3.82Å; Y86-R93 HydrophobicContact CG-CB 4.03Å; Y86-R93 PolarHBondContact OH-NH1 3.24Å; D91-R93 PolarHBondContact O-N 2.76Å; D91-R93 VanDerWaalsContact O-N 3.12Å; D91-R93 VanDerWaalsContact OD1-CB 3.24Å; D91-R93 WeakPolarHBondContact OD1-CB 2.98Å; D91-R93 VanDerWaalsContact OD1-CG 3.3Å; D91-R93 WeakPolarHBondContact OD1-CG 3.49Å; D91-R93 IonicContact OD1-CZ 3.9Å; D91-R93 PolarHBondContact OD1-N 2.88Å; D91-R93 IonicContact OD1-NE 3.78Å; D91-R93 PolarHBondContact OD1-NE 3.18Å; D91-R93 IonicContact OD1-NH2 3.62Å; D91-R93 IonicContact OD2-CZ 3.77Å; D91-R93 IonicContact OD2-NE 2.88Å; D91-R93 PolarHBondContact OD2-NE 2.93Å; D91-R93 IonicContact OD2-NH2 3.82Å; D91-R93 PolarHBondContact OD2-NH2 3.02Å; R93-G95 PolarHBondContact O-N 3.48Å; R93-N96 PolarHBondContact O-N 3.47Å
94	C	98	Very high	96.9	Very high	13 Å²	13	58.8 Å²	58.8	9%	0.088	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	122	176.6	166.1	0	0	0	0	110.8	C87 D91 S92 N96 R103	C87-C94 WeakPolarHBondContact CA-SG 3.39Å; C87-C94 HydrophobicContact CB-CB 3.97Å; C87-C94 WeakPolarHBondContact CB-SG 3.36Å; C87-C94 WeakPolarHBondContact SG-CB 3.49Å; C87-C94 CovalentContact SG-SG 2.04Å; C87-C94 PolarHBondContact SG-SG 3.19Å; D91-C94 VanDerWaalsContact O-CB 3.28Å; D91-C94 WeakPolarHBondContact O-CB 3.49Å; D91-C94 PolarHBondContact O-N 3.21Å; S92-C94 VanDerWaalsContact C-N 3.31Å; C94-N96 VanDerWaalsContact C-N 3.28Å; C94-N96 PolarHBondContact O-N 3.3Å; C94-R103 PolarHBondContact SG-NE 3.32Å; C94-R103 VanDerWaalsContact SG-NE 3.37Å
95	G	96.9	Very high	96.8	Very high	9 Å²	9	61 Å²	61	9%	0.093	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	41.4	179.2	0	0	0	0	0	113	N83 R93 N101 H102	N83-G95 PolarHBondContact OD1-N 2.84Å; R93-G95 PolarHBondContact O-N 3.48Å; G95-N101 VanDerWaalsContact O-CA 3.28Å; G95-N101 WeakPolarHBondContact O-CA 3.06Å; G95-N101 PolarHBondContact O-OD1 2.99Å; G95-H102 WeakPolarHBondContact CA-O 3.22Å
96	N	96.3	Very high	96.3	Very high	51 Å²	51	68.8 Å²	68.8	27%	0.273	37%	0.372	S	S	.	.			trans	-73.1	-178.5	166.6	68.5	5.1	0	0	0	110.9	R93 C94 Q98 F99 S100 N101	R93-N96 PolarHBondContact O-N 3.47Å; C94-N96 VanDerWaalsContact C-N 3.28Å; C94-N96 PolarHBondContact O-N 3.3Å; N96-Q98 PolarHBondContact O-N 3.07Å; N96-Q98 WeakPolarHBondContact OD1-CA 3.37Å; N96-Q98 WeakPolarHBondContact OD1-CB 3.39Å; N96-Q98 PolarHBondContact OD1-N 3.21Å; N96-Q98 VanDerWaalsContact OD1-N 3.09Å; N96-F99 CarbonylContact O-C 3.46Å; N96-F99 WeakPolarHBondContact O-CA 3.46Å; N96-F99 PolarHBondContact O-N 3.26Å; N96-F99 WeakPolarHBondContact OD1-CD2 3.46Å; N96-F99 PolarHBondContact OD1-N 2.98Å; N96-S100 PolarHBondContact O-N 3.28Å; N96-N101 PolarHBondContact O-N 3.48Å; N96-N101 VanDerWaalsContact O-N 3.14Å
97	D	95.7	Very high	95.7	Very high	132 Å²	132	72 Å²	72	71%	0.706	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-59.5	-28.3	178.7	-67.6	-30.1	0	0	0	113.3	F99 S100 N101	D97-F99 PolarHBondContact O-N 3.1Å; D97-S100 PolarHBondContact O-N 3.13Å; D97-N101 PolarHBondContact OD1-ND2 2.83Å
98	Q	93.8	Very high	95.5	Very high	93 Å²	93	70.7 Å²	70.7	44%	0.435	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.4	174.3	-159.9	-152.9	-35.1	0	0	111.6	D79 N96	D79-Q98 PolarHBondContact OD1-NE2 3.4Å; D79-Q98 VanDerWaalsContact OD1-NE2 3.09Å; N96-Q98 PolarHBondContact O-N 3.07Å; N96-Q98 WeakPolarHBondContact OD1-CA 3.37Å; N96-Q98 WeakPolarHBondContact OD1-CB 3.39Å; N96-Q98 PolarHBondContact OD1-N 3.21Å; N96-Q98 VanDerWaalsContact OD1-N 3.09Å
99	F	95.8	Very high	95.1	Very high	3 Å²	3	66.9 Å²	66.9	1%	0.013	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-107.2	22	178.8	-51.1	-56.2	0	0	0	112.2	Y74 D79 R82 N83 Y86 N96 D97 N101 H102	Y74-F99 HydrophobicContact CD1-CD1 4.3Å; Y74-F99 HydrophobicContact CE1-CB 4.38Å; Y74-F99 AromaticContact CE1-CD1 3.72Å; Y74-F99 HydrophobicContact CE1-CD1 3.72Å; Y74-F99 HydrophobicContact CE1-CE1 4.47Å; Y74-F99 HydrophobicContact CE1-CG 4.37Å; D79-F99 HydrophobicContact CB-CE1 4.08Å; D79-F99 VanDerWaalsContact O-CE1 3.26Å; D79-F99 WeakPolarHBondContact O-CE1 3.39Å; R82-F99 HydrophobicContact CB-CZ 4.39Å; N83-F99 HydrophobicContact CB-CB 4.5Å; N83-F99 HydrophobicContact CB-CD1 3.86Å; N83-F99 HydrophobicContact CB-CD2 3.8Å; N83-F99 HydrophobicContact CB-CE1 3.95Å; N83-F99 HydrophobicContact CB-CE2 3.89Å; N83-F99 HydrophobicContact CB-CG 3.78Å; N83-F99 HydrophobicContact CB-CZ 3.96Å; N83-F99 VanDerWaalsContact CG-CD2 3.43Å; N83-F99 VanDerWaalsContact CG-CG 3.49Å; N83-F99 WeakPolarHBondContact OD1-CD2 3.37Å; Y86-F99 AromaticContact CD2-CE2 3.7Å; Y86-F99 HydrophobicContact CD2-CE2 3.7Å; Y86-F99 HydrophobicContact CD2-CZ 4.21Å; Y86-F99 AromaticContact CE2-CE2 3.74Å; Y86-F99 HydrophobicContact CE2-CE2 3.74Å; Y86-F99 AromaticContact CE2-CZ 3.92Å; Y86-F99 HydrophobicContact CE2-CZ 3.92Å; N96-F99 CarbonylContact O-C 3.46Å; N96-F99 WeakPolarHBondContact O-CA 3.46Å; N96-F99 PolarHBondContact O-N 3.26Å; N96-F99 WeakPolarHBondContact OD1-CD2 3.46Å; N96-F99 PolarHBondContact OD1-N 2.98Å; D97-F99 PolarHBondContact O-N 3.1Å; F99-N101 PolarHBondContact O-N 3.4Å; F99-N101 VanDerWaalsContact O-N 3.11Å; F99-H102 VanDerWaalsContact O-CB 3.24Å; F99-H102 WeakPolarHBondContact O-CB 3.35Å; F99-H102 PolarHBondContact O-N 3.25Å
100	S	95.8	Very high	95	Very high	74 Å²	74	64.1 Å²	64.1	52%	0.517	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	35.8	179.4	-51.5	0	0	0	0	113.6	N96 D97 H102	N96-S100 PolarHBondContact O-N 3.28Å; D97-S100 PolarHBondContact O-N 3.13Å; S100-H102 PolarHBondContact O-N 3.22Å; S100-H102 VanDerWaalsContact O-N 3.13Å
101	N	97.1	Very high	94.8	Very high	106 Å²	106	62.6 Å²	62.6	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	8.9	-175.6	-59.5	-70.9	0	0	0	115.7	G95 N96 D97 F99 R103	G95-N101 VanDerWaalsContact O-CA 3.28Å; G95-N101 WeakPolarHBondContact O-CA 3.06Å; G95-N101 PolarHBondContact O-OD1 2.99Å; N96-N101 PolarHBondContact O-N 3.48Å; N96-N101 VanDerWaalsContact O-N 3.14Å; D97-N101 PolarHBondContact OD1-ND2 2.83Å; F99-N101 PolarHBondContact O-N 3.4Å; F99-N101 VanDerWaalsContact O-N 3.11Å; N101-R103 PolarHBondContact O-N 3.22Å
102	H	97.8	Very high	94.6	Very high	28 Å²	28	60.8 Å²	60.8	13%	0.13	32%	0.318	C	S	.	.			trans	-74.2	122.5	176.4	-177.9	-133	0	0	0	110.9	D70 V72 Y74 N83 G95 F99 S100 A104	D70-H102 IonicContact OD2-CE1 3.61Å; D70-H102 PolarHBondContact OD2-CE1 3.25Å; D70-H102 VanDerWaalsContact OD2-CE1 3.27Å; D70-H102 IonicContact OD2-NE2 3.63Å; D70-H102 PolarHBondContact OD2-NE2 2.99Å; D70-H102 VanDerWaalsContact OD2-NE2 3.16Å; V72-H102 HydrophobicContact CB-CB 4.18Å; V72-H102 HydrophobicContact CG1-CB 4.17Å; V72-H102 HydrophobicContact CG2-CB 3.81Å; Y74-H102 AromaticContact CE2-ND1 3.73Å; Y74-H102 AromaticContact CZ-ND1 3.7Å; Y74-H102 PolarHBondContact OH-ND1 3.36Å; N83-H102 PolarHBondContact ND2-O 3.29Å; G95-H102 WeakPolarHBondContact CA-O 3.22Å; F99-H102 VanDerWaalsContact O-CB 3.24Å; F99-H102 WeakPolarHBondContact O-CB 3.35Å; F99-H102 PolarHBondContact O-N 3.25Å; S100-H102 PolarHBondContact O-N 3.22Å; S100-H102 VanDerWaalsContact O-N 3.13Å; H102-A104 PolarHBondContact O-N 2.79Å
103	R	97.9	Very high	94.4	Very high	175 Å²	175	59.1 Å²	59.1	66%	0.66	29%	0.294	S	S	*	.			trans	-95.5	78.3	175.5	-59.8	-172.1	74.3	178.2	3.5	110	C94 N101	C94-R103 PolarHBondContact SG-NE 3.32Å; C94-R103 VanDerWaalsContact SG-NE 3.37Å; N101-R103 PolarHBondContact O-N 3.22Å
104	A	97	Very high	94.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.293	C	S	.	.			trans	-62.6	140.2	-177.3	0	0	0	0	0	111.7	L80 N83 Q84 C87 H102 S108	L80-A104 HydrophobicContact CD1-CB 4.03Å; N83-A104 HydrophobicContact CB-CB 4.43Å; N83-A104 WeakPolarHBondContact ND2-CB 3.39Å; N83-A104 PolarHBondContact ND2-N 3.3Å; Q84-A104 HydrophobicContact CG-CB 3.74Å; C87-A104 WeakPolarHBondContact CB-O 3.49Å; H102-A104 PolarHBondContact O-N 2.79Å; A104-S108 WeakPolarHBondContact CA-OG 3.25Å
105	N	94.2	Very high	94.1	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	31%	0.308	S	S	.	.			trans	-129.4	-171.5	177	63.1	67.6	0	0	0	110.9	Q84 N107 S108	Q84-N105 PolarHBondContact NE2-O 2.97Å; N105-N107 PolarHBondContact O-N 2.77Å; N105-N107 WeakPolarHBondContact OD1-CA 3.06Å; N105-N107 WeakPolarHBondContact OD1-CB 3.46Å; N105-N107 PolarHBondContact OD1-N 2.67Å; N105-S108 PolarHBondContact N-OG 3.48Å; N105-S108 VanDerWaalsContact O-CB 3.31Å; N105-S108 WeakPolarHBondContact O-CB 3.19Å; N105-S108 PolarHBondContact O-N 3.25Å
106	E	88	Confident	94	Very high	166 Å²	166	62.5 Å²	62.5	78%	0.776	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.3	-179.1	63.7	-159.5	-171.3	0	0	114.9
107	N	87.1	Confident	93.8	Very high	69 Å²	69	64.9 Å²	64.9	37%	0.369	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-10.3	173	-57.6	-50.2	0	0	0	112.9	N105 A109 R200	N105-N107 PolarHBondContact O-N 2.77Å; N105-N107 WeakPolarHBondContact OD1-CA 3.06Å; N105-N107 WeakPolarHBondContact OD1-CB 3.46Å; N105-N107 PolarHBondContact OD1-N 2.67Å; N107-A109 PolarHBondContact O-N 3.42Å; N107-R200 PolarHBondContact OD1-NH2 3.06Å
108	S	93.1	Very high	93.5	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.021	32%	0.315	C	S	.	.			trans	-70.9	93.3	173.6	-64.9	0	0	0	0	109.5	D70 Q84 A104 N105	D70-S108 WeakPolarHBondContact OD2-CA 3.43Å; D70-S108 WeakPolarHBondContact OD2-CB 3.26Å; D70-S108 PolarHBondContact OD2-OG 2.04Å; Q84-S108 PolarHBondContact NE2-O 3.01Å; A104-S108 WeakPolarHBondContact CA-OG 3.25Å; N105-S108 PolarHBondContact N-OG 3.48Å; N105-S108 VanDerWaalsContact O-CB 3.31Å; N105-S108 WeakPolarHBondContact O-CB 3.19Å; N105-S108 PolarHBondContact O-N 3.25Å
109	A	89.2	Confident	93.4	Very high	32 Å²	32	59.8 Å²	59.8	26%	0.264	30%	0.295	S	S	.	.			trans	-108.6	153.5	-178.6	0	0	0	0	0	111.2	N107 K111 N211	N107-A109 PolarHBondContact O-N 3.42Å; A109-K111 PolarHBondContact O-N 3.08Å; A109-N211 HydrophobicContact CB-CB 4.18Å; A109-N211 WeakPolarHBondContact CB-ND2 3.33Å
110	I	92.6	Very high	93	Very high	15 Å²	15	61.7 Å²	61.7	8%	0.077	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.8	176.9	-53.5	-179.1	0	0	0	108.1	L67 V69 E77 L80 Y113 Q215	L67-I110 HydrophobicContact CB-CG2 4.11Å; L67-I110 HydrophobicContact CD1-CD1 4.5Å; L67-I110 HydrophobicContact CD1-CG1 4.19Å; L67-I110 HydrophobicContact CD2-CD1 4.32Å; V69-I110 HydrophobicContact CG2-CB 4.41Å; V69-I110 HydrophobicContact CG2-CG1 4.1Å; E77-I110 HydrophobicContact CG-CD1 3.9Å; L80-I110 HydrophobicContact CD2-CD1 4.41Å; L80-I110 HydrophobicContact CD2-CG1 3.88Å; I110-Y113 HydrophobicContact CD1-CE1 3.78Å; I110-Y113 HydrophobicContact CG2-CD1 4.39Å; I110-Y113 HydrophobicContact CG2-CE1 4.21Å; I110-Y113 HydrophobicContact CG2-CE2 4.43Å; I110-Q215 HydrophobicContact CG2-CG 4.43Å; I110-Q215 VanDerWaalsContact O-CG 3.29Å; I110-Q215 WeakPolarHBondContact O-CG 3.01Å; I110-Q215 PolarHBondContact O-NE2 3.01Å
111	K	92.5	Very high	92.6	Very high	33 Å²	33	61.1 Å²	61.1	14%	0.143	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-46.2	172.8	-168.7	-179.5	171.9	-177.1	0	110.3	C68 A109 Y214 Q215 L218 E225	C68-K111 WeakPolarHBondContact O-CB 3.22Å; C68-K111 PolarHBondContact O-N 2.81Å; A109-K111 PolarHBondContact O-N 3.08Å; K111-Y214 HydrophobicContact CG-CD2 4.08Å; K111-Y214 HydrophobicContact CG-CG 4.26Å; K111-Y214 CarbonylContact O-C 3.5Å; K111-Y214 WeakPolarHBondContact O-CB 3.43Å; K111-Q215 WeakPolarHBondContact O-CA 3.02Å; K111-Q215 PolarHBondContact O-N 2.66Å; K111-Q215 VanDerWaalsContact O-N 3.12Å; K111-L218 HydrophobicContact CG-CD1 4.46Å; K111-E225 IonicContact NZ-OE1 4Å; K111-E225 PolarHBondContact NZ-OE1 2.85Å; K111-E225 IonicContact NZ-OE2 3.7Å; K111-E225 PolarHBondContact NZ-OE2 3Å
112	Y	93.2	Very high	92.4	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	165.3	172.1	55.6	-95.5	0	0	0	111.3	C68 D114 E115 C116 R117 L119 L218	C68-Y112 HydrophobicContact CB-CD1 4.44Å; C68-Y112 HydrophobicContact CB-CD2 4.16Å; C68-Y112 HydrophobicContact CB-CE1 4.06Å; C68-Y112 HydrophobicContact CB-CE2 3.75Å; C68-Y112 HydrophobicContact CB-CG 4.49Å; C68-Y112 PolarHBondContact N-O 3.37Å; Y112-D114 HydrophobicContact CD2-CB 3.8Å; Y112-D114 HydrophobicContact CE2-CB 3.87Å; Y112-D114 PolarHBondContact O-N 3.32Å; Y112-E115 WeakPolarHBondContact CE2-O 3.3Å; Y112-E115 PolarHBondContact OH-O 3.44Å; Y112-C116 WeakPolarHBondContact OH-CA 3.34Å; Y112-R117 PolarHBondContact OH-N 3.09Å; Y112-R117 PolarHBondContact OH-O 2.92Å; Y112-L119 HydrophobicContact CD1-CD1 4.01Å; Y112-L119 HydrophobicContact CE1-CD1 3.5Å; Y112-L119 HydrophobicContact CE1-CG 4.32Å; Y112-L218 HydrophobicContact CD1-CB 3.91Å; Y112-L218 HydrophobicContact CD1-CD1 4.1Å; Y112-L218 HydrophobicContact CG-CB 4.18Å
113	Y	92.8	Very high	92.3	Very high	84 Å²	84	61.1 Å²	61.1	33%	0.329	32%	0.316	S	S	.	.	S	Bend	trans	-93.4	68.3	-176.4	-67.9	-79.6	0	0	0	112.6	R65 Q66 L67 E77 I110	R65-Y113 HydrophobicContact CG-CD1 4.19Å; Q66-Y113 CarbonylContact O-C 3.17Å; L67-Y113 HydrophobicContact CB-CD1 4.4Å; E77-Y113 HydrophobicContact CG-CE1 4.49Å; E77-Y113 WeakPolarHBondContact OE1-CE1 3.46Å; I110-Y113 HydrophobicContact CD1-CE1 3.78Å; I110-Y113 HydrophobicContact CG2-CD1 4.39Å; I110-Y113 HydrophobicContact CG2-CE1 4.21Å; I110-Y113 HydrophobicContact CG2-CE2 4.43Å
114	D	93.3	Very high	92.2	Very high	48 Å²	48	56.4 Å²	56.4	26%	0.257	30%	0.304	S	S	.	.	S	Bend	trans	-159.6	176.2	170	-155.1	-16.1	0	0	0	108.4	Q66 L67 C68 Y112 R117	Q66-D114 PolarHBondContact O-N 2.63Å; Q66-D114 VanDerWaalsContact O-N 3.09Å; L67-D114 CarbonylContact C-O 3.14Å; L67-D114 VanDerWaalsContact CA-O 3.25Å; L67-D114 WeakPolarHBondContact CA-O 3.28Å; L67-D114 PolarHBondContact N-O 3.25Å; C68-D114 PolarHBondContact N-O 2.83Å; Y112-D114 HydrophobicContact CD2-CB 3.8Å; Y112-D114 HydrophobicContact CE2-CB 3.87Å; Y112-D114 PolarHBondContact O-N 3.32Å; D114-R117 IonicContact OD2-CZ 3.16Å; D114-R117 IonicContact OD2-NH1 3.27Å; D114-R117 PolarHBondContact OD2-NH1 3.18Å; D114-R117 IonicContact OD2-NH2 3.75Å; D114-R117 PolarHBondContact OD2-NH2 3.14Å
115	E	94.8	Very high	92.1	Very high	87 Å²	87	57.6 Å²	57.6	41%	0.407	31%	0.308	S	S	.	.			trans	-60	147.2	167.1	66.4	177.4	178.8	0	0	111.8	T73 Y112 R117	T73-E115 HydrophobicContact CG2-CB 3.82Å; Y112-E115 WeakPolarHBondContact CE2-O 3.3Å; Y112-E115 PolarHBondContact OH-O 3.44Å; E115-R117 HydrophobicContact CG-CG 4.02Å; E115-R117 PolarHBondContact O-N 3.49Å
116	C	94.8	Very high	92.2	Very high	33 Å²	33	60.3 Å²	60.3	22%	0.223	32%	0.323	C	S	.	.			trans	-62.5	119.6	174.7	-69.9	0	0	0	0	111.1	C68 V72 T73 Y112	C68-C116 WeakPolarHBondContact CA-SG 3.48Å; C68-C116 HydrophobicContact CB-CB 3.97Å; C68-C116 WeakPolarHBondContact CB-SG 3.4Å; C68-C116 WeakPolarHBondContact SG-CA 3.35Å; C68-C116 WeakPolarHBondContact SG-CB 3.47Å; C68-C116 CovalentContact SG-SG 2.04Å; C68-C116 PolarHBondContact SG-SG 2.71Å; V72-C116 PolarHBondContact N-SG 3.44Å; V72-C116 VanDerWaalsContact N-SG 3.38Å; V72-C116 PolarHBondContact O-SG 2.97Å; V72-C116 VanDerWaalsContact O-SG 3.41Å; T73-C116 PolarHBondContact OG1-N 3.25Å; Y112-C116 WeakPolarHBondContact OH-CA 3.34Å
117	R	92.8	Very high	92.5	Very high	100 Å²	100	59.2 Å²	59.2	38%	0.377	32%	0.318	S	S	.	.			trans	-127.2	155.6	174.5	-62	178.1	-61.5	-156.8	-5.4	110.4	Y112 D114 E115 L119	Y112-R117 PolarHBondContact OH-N 3.09Å; Y112-R117 PolarHBondContact OH-O 2.92Å; D114-R117 IonicContact OD2-CZ 3.16Å; D114-R117 IonicContact OD2-NH1 3.27Å; D114-R117 PolarHBondContact OD2-NH1 3.18Å; D114-R117 IonicContact OD2-NH2 3.75Å; D114-R117 PolarHBondContact OD2-NH2 3.14Å; E115-R117 HydrophobicContact CG-CG 4.02Å; E115-R117 PolarHBondContact O-N 3.49Å; R117-L119 HydrophobicContact CB-CD2 4.25Å; R117-L119 PolarHBondContact O-N 3.38Å
118	D	90.6	Very high	92.9	Very high	118 Å²	118	57.7 Å²	57.7	63%	0.631	31%	0.309	S	S	*	.			trans	-72.5	94.1	164.8	-179.6	9.9	0	0	0	109.4	S120 G121	D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 WeakPolarHBondContact OD1-CB 3.25Å; D118-S120 PolarHBondContact OD1-N 3.16Å; D118-G121 PolarHBondContact OD1-N 2.04Å
119	L	90.7	Very high	93	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.33	C	S	.	.			trans	-77	-21	176.3	-59.6	-178.6	0	0	0	112	Y112 R117 G121 L122 L218 P219 P222	Y112-L119 HydrophobicContact CD1-CD1 4.01Å; Y112-L119 HydrophobicContact CE1-CD1 3.5Å; Y112-L119 HydrophobicContact CE1-CG 4.32Å; R117-L119 HydrophobicContact CB-CD2 4.25Å; R117-L119 PolarHBondContact O-N 3.38Å; L119-G121 VanDerWaalsContact C-N 3.3Å; L119-G121 PolarHBondContact O-N 3.45Å; L119-L122 HydrophobicContact CD2-CD1 4.12Å; L119-L122 WeakPolarHBondContact O-CB 2.94Å; L119-L122 PolarHBondContact O-N 2.91Å; L119-L218 HydrophobicContact CD1-CB 4.05Å; L119-L218 HydrophobicContact CD1-CD1 4.01Å; L119-L218 HydrophobicContact CD1-CD2 4.01Å; L119-L218 HydrophobicContact CD1-CG 4.25Å; L119-P219 HydrophobicContact CD1-CB 4.03Å; L119-P219 HydrophobicContact CD2-CB 3.81Å; L119-P222 HydrophobicContact CB-CB 4.3Å; L119-P222 WeakPolarHBondContact O-CB 3.41Å
120	S	86.5	Confident	93.2	Very high	43 Å²	43	65.4 Å²	65.4	30%	0.301	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-66.3	-36.8	-179.3	-63.2	0	0	0	0	110.8	D118 L122 C123	D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 WeakPolarHBondContact OD1-CB 3.25Å; D118-S120 PolarHBondContact OD1-N 3.16Å; S120-L122 PolarHBondContact O-N 3.05Å; S120-C123 WeakPolarHBondContact O-CB 3.48Å; S120-C123 PolarHBondContact O-N 3.11Å; S120-C123 VanDerWaalsContact O-N 3.12Å
121	G	89.5	Confident	93.3	Very high	62 Å²	62	67.3 Å²	67.3	64%	0.639	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-65	-15.8	172.6	0	0	0	0	0	115.1	D118 L119	D118-G121 PolarHBondContact OD1-N 2.04Å; L119-G121 VanDerWaalsContact C-N 3.3Å; L119-G121 PolarHBondContact O-N 3.45Å
122	L	92.3	Very high	93.5	Very high	116 Å²	116	66.1 Å²	66.1	61%	0.607	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-91.6	-5.7	175.4	-58.6	179	0	0	0	112.9	L119 S120 P222	L119-L122 HydrophobicContact CD2-CD1 4.12Å; L119-L122 WeakPolarHBondContact O-CB 2.94Å; L119-L122 PolarHBondContact O-N 2.91Å; S120-L122 PolarHBondContact O-N 3.05Å; L122-P222 HydrophobicContact CB-CB 3.99Å; L122-P222 HydrophobicContact CB-CG 4.16Å
123	C	95	Very high	93.6	Very high	18 Å²	18	66.7 Å²	66.7	12%	0.122	36%	0.363	C	S	.	.			trans	-89.9	117.7	175.9	175.3	0	0	0	0	111	S120 W125 P222 C223 V226	S120-C123 WeakPolarHBondContact O-CB 3.48Å; S120-C123 PolarHBondContact O-N 3.11Å; S120-C123 VanDerWaalsContact O-N 3.12Å; C123-W125 VanDerWaalsContact C-N 3.28Å; C123-W125 PolarHBondContact O-N 3.4Å; C123-W125 VanDerWaalsContact O-N 3.08Å; C123-W125 PolarHBondContact SG-N 3.49Å; C123-P222 HydrophobicContact CB-CB 4.36Å; C123-C223 WeakPolarHBondContact CA-SG 3.42Å; C123-C223 HydrophobicContact CB-CB 3.97Å; C123-C223 WeakPolarHBondContact CB-SG 3.39Å; C123-C223 WeakPolarHBondContact SG-CA 3.15Å; C123-C223 WeakPolarHBondContact SG-CB 3.42Å; C123-C223 CovalentContact SG-SG 2.04Å; C123-C223 PolarHBondContact SG-SG 3.14Å; C123-V226 HydrophobicContact CB-CG2 3.99Å
124	D	95.5	Very high	93.7	Very high	75 Å²	75	66.6 Å²	66.6	40%	0.401	36%	0.364	S	S	.	.			trans	-80	80	162.3	-170.3	-22.3	0	0	0	109.2	D126 Q127 N128	D124-D126 VanDerWaalsContact C-N 3.33Å; D124-D126 PolarHBondContact O-N 3.27Å; D124-Q127 HydrophobicContact CB-CB 4.46Å; D124-Q127 PolarHBondContact O-N 3.31Å; D124-Q127 WeakPolarHBondContact OD1-CG 3.49Å; D124-Q127 PolarHBondContact OD1-N 3.44Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.28Å; D124-Q127 PolarHBondContact OD2-NE2 3.08Å; D124-N128 PolarHBondContact O-N 3.02Å; D124-N128 PolarHBondContact O-ND2 2.71Å
125	W	95.5	Very high	93.8	Very high	25 Å²	25	69.3 Å²	69.3	10%	0.095	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-40.5	-173	-179.9	-96.2	0	0	0	112.5	C123 Q127 N128 E129 F132 C223 V226 F227 R230	C123-W125 VanDerWaalsContact C-N 3.28Å; C123-W125 PolarHBondContact O-N 3.4Å; C123-W125 VanDerWaalsContact O-N 3.08Å; C123-W125 PolarHBondContact SG-N 3.49Å; W125-Q127 PolarHBondContact O-N 3.05Å; W125-N128 CarbonylContact O-C 3.54Å; W125-N128 WeakPolarHBondContact O-CA 3.45Å; W125-N128 PolarHBondContact O-N 3.43Å; W125-E129 HydrophobicContact CZ2-CB 4.03Å; W125-E129 HydrophobicContact CZ2-CG 3.91Å; W125-E129 PolarHBondContact NE1-OE1 3.21Å; W125-E129 WeakPolarHBondContact O-CB 2.93Å; W125-E129 PolarHBondContact O-N 3.37Å; W125-F132 HydrophobicContact CH2-CB 4.36Å; W125-F132 HydrophobicContact CZ3-CB 4.3Å; W125-F132 HydrophobicContact CZ3-CD1 4.48Å; W125-F132 HydrophobicContact CZ3-CG 4.22Å; W125-C223 HydrophobicContact CE3-CB 4.32Å; W125-C223 HydrophobicContact CZ3-CB 4.44Å; W125-V226 HydrophobicContact CB-CG1 4.21Å; W125-V226 HydrophobicContact CD2-CB 4.38Å; W125-V226 HydrophobicContact CD2-CG1 3.54Å; W125-V226 HydrophobicContact CE3-CB 3.81Å; W125-V226 HydrophobicContact CE3-CG1 3.48Å; W125-V226 VanDerWaalsContact CE3-CG1 3.48Å; W125-V226 HydrophobicContact CG-CG1 3.85Å; W125-V226 HydrophobicContact CZ3-CB 4.29Å; W125-V226 HydrophobicContact CZ3-CG1 4.16Å; W125-F227 HydrophobicContact CH2-CB 3.92Å; W125-F227 AromaticContact CH2-CD2 3.97Å; W125-F227 HydrophobicContact CH2-CD2 3.97Å; W125-F227 HydrophobicContact CH2-CG 4.46Å; W125-F227 HydrophobicContact CZ3-CB 3.86Å; W125-R230 VanDerWaalsContact CD1-CZ 3.46Å
126	D	96	Very high	93.8	Very high	135 Å²	135	65.6 Å²	65.6	72%	0.722	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-33.8	-176.4	-66	-13.3	0	0	0	111.7	D124	D124-D126 VanDerWaalsContact C-N 3.33Å; D124-D126 PolarHBondContact O-N 3.27Å
127	Q	95.3	Very high	93.8	Very high	143 Å²	143	64 Å²	64	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-75.9	-24.9	172.5	-69	-169.6	31.3	0	0	113.9	D124 W125	D124-Q127 HydrophobicContact CB-CB 4.46Å; D124-Q127 PolarHBondContact O-N 3.31Å; D124-Q127 WeakPolarHBondContact OD1-CG 3.49Å; D124-Q127 PolarHBondContact OD1-N 3.44Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.28Å; D124-Q127 PolarHBondContact OD2-NE2 3.08Å; W125-Q127 PolarHBondContact O-N 3.05Å
128	N	95.8	Very high	93.7	Very high	37 Å²	37	60.7 Å²	60.7	20%	0.198	33%	0.332	C	S	.	.	H	α-helix	trans	-98.9	-23.2	-172	-77.7	-83.2	0	0	0	113.7	D124 W125 S130 T131 F132 R135	D124-N128 PolarHBondContact O-N 3.02Å; D124-N128 PolarHBondContact O-ND2 2.71Å; W125-N128 CarbonylContact O-C 3.54Å; W125-N128 WeakPolarHBondContact O-CA 3.45Å; W125-N128 PolarHBondContact O-N 3.43Å; N128-S130 VanDerWaalsContact C-N 3.32Å; N128-S130 PolarHBondContact O-N 3.02Å; N128-T131 PolarHBondContact O-N 3.48Å; N128-T131 PolarHBondContact O-OG1 3.4Å; N128-F132 VanDerWaalsContact O-CB 3.28Å; N128-F132 WeakPolarHBondContact O-CB 3.25Å; N128-F132 PolarHBondContact O-N 3.47Å; N128-R135 PolarHBondContact OD1-NH2 3.44Å
129	E	94.6	Very high	93.7	Very high	95 Å²	95	58.7 Å²	58.7	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-48.8	-49.3	-169.8	-178.4	163.6	-132.8	0	0	113.3	W125 T131 R230	W125-E129 HydrophobicContact CZ2-CB 4.03Å; W125-E129 HydrophobicContact CZ2-CG 3.91Å; W125-E129 PolarHBondContact NE1-OE1 3.21Å; W125-E129 WeakPolarHBondContact O-CB 2.93Å; W125-E129 PolarHBondContact O-N 3.37Å; E129-T131 VanDerWaalsContact C-N 3.27Å; E129-T131 PolarHBondContact O-N 3.27Å; E129-R230 IonicContact OE1-CZ 2.95Å; E129-R230 IonicContact OE1-NH1 3.93Å; E129-R230 PolarHBondContact OE1-NH1 2.9Å; E129-R230 IonicContact OE1-NH2 3.38Å
130	S	93.7	Very high	93.8	Very high	103 Å²	103	58.7 Å²	58.7	72%	0.72	32%	0.316	S	S	*	.	H	α-helix	trans	-74.7	-12.2	-174.4	59.9	0	0	0	0	114.8	N128	N128-S130 VanDerWaalsContact C-N 3.32Å; N128-S130 PolarHBondContact O-N 3.02Å
131	T	94.5	Very high	93.8	Very high	54 Å²	54	57.2 Å²	57.2	33%	0.331	30%	0.304	S	S	.	.	H	α-helix	trans	-130.3	-12.2	-170.3	49.6	0	0	0	0	113.6	N128 E129 F134 R135	N128-T131 PolarHBondContact O-N 3.48Å; N128-T131 PolarHBondContact O-OG1 3.4Å; E129-T131 VanDerWaalsContact C-N 3.27Å; E129-T131 PolarHBondContact O-N 3.27Å; T131-F134 PolarHBondContact O-N 2.77Å; T131-R135 VanDerWaalsContact CB-NH1 3.31Å; T131-R135 WeakPolarHBondContact O-CG 3.27Å; T131-R135 PolarHBondContact O-N 3.18Å; T131-R135 PolarHBondContact OG1-NH1 3.06Å
132	F	96.2	Very high	93.6	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-47	-174.8	-169.4	-87.3	0	0	0	112.3	W125 N128 F134 R135 L136 T221 C223 L224 F227	W125-F132 HydrophobicContact CH2-CB 4.36Å; W125-F132 HydrophobicContact CZ3-CB 4.3Å; W125-F132 HydrophobicContact CZ3-CD1 4.48Å; W125-F132 HydrophobicContact CZ3-CG 4.22Å; N128-F132 VanDerWaalsContact O-CB 3.28Å; N128-F132 WeakPolarHBondContact O-CB 3.25Å; N128-F132 PolarHBondContact O-N 3.47Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.41Å; F132-R135 PolarHBondContact O-N 3.43Å; F132-L136 HydrophobicContact CE1-CB 4.24Å; F132-L136 HydrophobicContact CE1-CD2 3.9Å; F132-L136 WeakPolarHBondContact O-CB 3.33Å; F132-L136 PolarHBondContact O-N 3.28Å; F132-T221 HydrophobicContact CE2-CG2 3.68Å; F132-T221 HydrophobicContact CZ-CG2 3.82Å; F132-C223 HydrophobicContact CD2-CB 3.71Å; F132-C223 HydrophobicContact CE2-CB 3.49Å; F132-C223 VanDerWaalsContact CE2-CB 3.49Å; F132-C223 HydrophobicContact CZ-CB 4.28Å; F132-L224 HydrophobicContact CE1-CD1 4.46Å; F132-L224 VanDerWaalsContact CZ-CA 3.45Å; F132-L224 HydrophobicContact CZ-CB 4.04Å; F132-L224 HydrophobicContact CZ-CD1 4.43Å; F132-F227 HydrophobicContact CD1-CB 3.51Å; F132-F227 AromaticContact CD1-CD1 3.99Å; F132-F227 HydrophobicContact CD1-CD1 3.99Å; F132-F227 AromaticContact CD1-CD2 3.71Å; F132-F227 HydrophobicContact CD1-CD2 3.71Å; F132-F227 HydrophobicContact CD1-CE2 4.38Å; F132-F227 AromaticContact CD1-CG 3.45Å; F132-F227 HydrophobicContact CD1-CG 3.45Å; F132-F227 VanDerWaalsContact CD1-CG 3.45Å; F132-F227 HydrophobicContact CE1-CB 3.42Å; F132-F227 VanDerWaalsContact CE1-CB 3.42Å; F132-F227 AromaticContact CE1-CD1 3.77Å; F132-F227 HydrophobicContact CE1-CD1 3.77Å; F132-F227 HydrophobicContact CE1-CD2 4.29Å; F132-F227 AromaticContact CE1-CG 3.57Å; F132-F227 HydrophobicContact CE1-CG 3.57Å; F132-F227 HydrophobicContact CG-CB 4.48Å; F132-F227 HydrophobicContact CZ-CB 4.36Å
133	S	95.7	Very high	93.2	Very high	15 Å²	15	53.5 Å²	53.5	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-56.4	-46.9	177.8	59.5	0	0	0	0	111.2	L136 G137 C245 F246	S133-L136 PolarHBondContact O-N 2.75Å; S133-G137 PolarHBondContact O-N 3.14Å; S133-C245 WeakPolarHBondContact CB-O 3.21Å; S133-F246 WeakPolarHBondContact O-CD1 3.18Å; S133-F246 WeakPolarHBondContact O-CE1 3.43Å
134	F	94.6	Very high	92.6	Very high	83 Å²	83	52.7 Å²	52.7	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-52.6	176	179	-100.7	0	0	0	111.6	T131 F132 L136 G137 M138 V185	T131-F134 PolarHBondContact O-N 2.77Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.41Å; F134-L136 PolarHBondContact O-N 3.22Å; F134-G137 PolarHBondContact O-N 3.24Å; F134-M138 HydrophobicContact CD1-CG 4.14Å; F134-M138 HydrophobicContact CD2-CG 4.34Å; F134-M138 HydrophobicContact CE1-CG 3.77Å; F134-M138 HydrophobicContact CE2-CG 3.99Å; F134-M138 HydrophobicContact CE2-SD 3.93Å; F134-M138 HydrophobicContact CG-CG 4.41Å; F134-M138 HydrophobicContact CZ-CG 3.69Å; F134-M138 HydrophobicContact CZ-SD 3.97Å; F134-M138 VanDerWaalsContact O-CG 3.27Å; F134-M138 WeakPolarHBondContact O-CG 3.46Å; F134-M138 PolarHBondContact O-N 3.32Å; F134-V185 HydrophobicContact CD2-CG2 3.93Å
135	R	94.7	Very high	91.8	Very high	104 Å²	104	54.5 Å²	54.5	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-42.2	-179.4	-72.1	-166.5	-53.9	-91.9	-7.7	112.7	N128 T131 F132 M138 W139	N128-R135 PolarHBondContact OD1-NH2 3.44Å; T131-R135 VanDerWaalsContact CB-NH1 3.31Å; T131-R135 WeakPolarHBondContact O-CG 3.27Å; T131-R135 PolarHBondContact O-N 3.18Å; T131-R135 PolarHBondContact OG1-NH1 3.06Å; F132-R135 PolarHBondContact O-N 3.43Å; R135-M138 PolarHBondContact O-N 2.81Å; R135-W139 WeakPolarHBondContact O-CB 3.48Å; R135-W139 PolarHBondContact O-N 2.01Å
136	L	95.5	Very high	90.8	Very high	9 Å²	9	58.1 Å²	58.1	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-41.1	177.4	-179.9	60.2	0	0	0	111.1	F132 S133 F134 M138 W139 F140 L217 L224 F227 F246	F132-L136 HydrophobicContact CE1-CB 4.24Å; F132-L136 HydrophobicContact CE1-CD2 3.9Å; F132-L136 WeakPolarHBondContact O-CB 3.33Å; F132-L136 PolarHBondContact O-N 3.28Å; S133-L136 PolarHBondContact O-N 2.75Å; F134-L136 PolarHBondContact O-N 3.22Å; L136-M138 PolarHBondContact O-N 3.16Å; L136-W139 HydrophobicContact CD1-CE3 3.86Å; L136-W139 HydrophobicContact CD1-CZ3 4.37Å; L136-W139 WeakPolarHBondContact O-CB 3.02Å; L136-W139 PolarHBondContact O-N 3.48Å; L136-F140 HydrophobicContact CD1-CD2 4.45Å; L136-F140 HydrophobicContact CD1-CE2 4.07Å; L136-F140 HydrophobicContact CD1-CZ 4.33Å; L136-F140 HydrophobicContact CD2-CE2 4.26Å; L136-F140 HydrophobicContact CG-CD2 4.16Å; L136-F140 HydrophobicContact CG-CE2 3.82Å; L136-F140 WeakPolarHBondContact O-CD2 3.48Å; L136-F140 PolarHBondContact O-N 2.91Å; L136-L217 HydrophobicContact CD1-CD1 3.72Å; L136-L224 HydrophobicContact CD2-CD1 3.9Å; L136-F227 HydrophobicContact CD2-CD1 3.83Å; L136-F227 HydrophobicContact CD2-CE1 3.68Å; L136-F246 HydrophobicContact CB-CE1 4.04Å; L136-F246 HydrophobicContact CD2-CE1 4.04Å; L136-F246 HydrophobicContact CD2-CZ 3.69Å; L136-F246 HydrophobicContact CG-CE1 3.93Å; L136-F246 HydrophobicContact CG-CZ 3.96Å
137	G	94.1	Very high	89.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-38.7	174.7	0	0	0	0	0	113	S133 F134 F140 Q141	S133-G137 PolarHBondContact O-N 3.14Å; F134-G137 PolarHBondContact O-N 3.24Å; G137-F140 WeakPolarHBondContact O-CB 3.2Å; G137-F140 PolarHBondContact O-N 3.1Å; G137-Q141 PolarHBondContact O-N 3.07Å
138	M	91.2	Very high	87.7	Confident	30 Å²	30	48.6 Å²	48.6	15%	0.148	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-39.4	173.1	-67.7	-43.6	-56.4	0	0	112.1	F134 R135 L136 F140 Q141 E142 P181 V185	F134-M138 HydrophobicContact CD1-CG 4.14Å; F134-M138 HydrophobicContact CD2-CG 4.34Å; F134-M138 HydrophobicContact CE1-CG 3.77Å; F134-M138 HydrophobicContact CE2-CG 3.99Å; F134-M138 HydrophobicContact CE2-SD 3.93Å; F134-M138 HydrophobicContact CG-CG 4.41Å; F134-M138 HydrophobicContact CZ-CG 3.69Å; F134-M138 HydrophobicContact CZ-SD 3.97Å; F134-M138 VanDerWaalsContact O-CG 3.27Å; F134-M138 WeakPolarHBondContact O-CG 3.46Å; F134-M138 PolarHBondContact O-N 3.32Å; R135-M138 PolarHBondContact O-N 2.81Å; L136-M138 PolarHBondContact O-N 3.16Å; M138-F140 VanDerWaalsContact C-N 3.35Å; M138-Q141 PolarHBondContact O-N 3.16Å; M138-E142 WeakPolarHBondContact O-CB 3.01Å; M138-E142 PolarHBondContact O-N 3.49Å; M138-P181 WeakPolarHBondContact CE-O 3.31Å; M138-V185 HydrophobicContact SD-CG2 4.38Å
139	W	91.9	Very high	85.8	Confident	77 Å²	77	50.1 Å²	50.1	29%	0.292	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-43.8	173.4	175.5	80.8	0	0	0	111.5	R135 L136 Q141 E142 L143 L213 L216 L217	R135-W139 WeakPolarHBondContact O-CB 3.48Å; R135-W139 PolarHBondContact O-N 2.01Å; L136-W139 HydrophobicContact CD1-CE3 3.86Å; L136-W139 HydrophobicContact CD1-CZ3 4.37Å; L136-W139 WeakPolarHBondContact O-CB 3.02Å; L136-W139 PolarHBondContact O-N 3.48Å; W139-Q141 VanDerWaalsContact C-N 3.33Å; W139-Q141 PolarHBondContact O-N 2.98Å; W139-E142 PolarHBondContact O-N 3.39Å; W139-L143 HydrophobicContact CH2-CD2 3.61Å; W139-L143 HydrophobicContact CZ2-CD2 3.73Å; W139-L143 HydrophobicContact CZ3-CD2 4.07Å; W139-L143 VanDerWaalsContact O-CB 3.29Å; W139-L143 WeakPolarHBondContact O-CB 3.26Å; W139-L143 PolarHBondContact O-N 3.09Å; W139-L213 HydrophobicContact CH2-CD1 3.92Å; W139-L213 HydrophobicContact CZ3-CD1 3.57Å; W139-L216 HydrophobicContact CH2-CB 4.36Å; W139-L216 HydrophobicContact CH2-CD1 4.16Å; W139-L216 HydrophobicContact CZ2-CB 4.47Å; W139-L217 HydrophobicContact CD2-CD2 4.17Å; W139-L217 HydrophobicContact CE3-CD1 4.16Å; W139-L217 HydrophobicContact CH2-CD1 3.98Å; W139-L217 HydrophobicContact CH2-CD2 4.04Å; W139-L217 HydrophobicContact CH2-CG 3.94Å; W139-L217 HydrophobicContact CZ2-CD1 4.44Å; W139-L217 HydrophobicContact CZ2-CD2 3.67Å; W139-L217 HydrophobicContact CZ2-CG 4.06Å; W139-L217 HydrophobicContact CZ3-CD1 3.83Å; W139-L217 HydrophobicContact CZ3-CD2 4.45Å; W139-L217 HydrophobicContact CZ3-CG 4.3Å
140	F	91.8	Very high	83.5	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-40.9	173.5	-83.4	-42.9	0	0	0	113	L136 G137 M138 L144 V189 I190 W193 L213 W242 F246	L136-F140 HydrophobicContact CD1-CD2 4.45Å; L136-F140 HydrophobicContact CD1-CE2 4.07Å; L136-F140 HydrophobicContact CD1-CZ 4.33Å; L136-F140 HydrophobicContact CD2-CE2 4.26Å; L136-F140 HydrophobicContact CG-CD2 4.16Å; L136-F140 HydrophobicContact CG-CE2 3.82Å; L136-F140 WeakPolarHBondContact O-CD2 3.48Å; L136-F140 PolarHBondContact O-N 2.91Å; G137-F140 WeakPolarHBondContact O-CB 3.2Å; G137-F140 PolarHBondContact O-N 3.1Å; M138-F140 VanDerWaalsContact C-N 3.35Å; F140-L144 VanDerWaalsContact O-CB 3.28Å; F140-L144 WeakPolarHBondContact O-CB 3.41Å; F140-L144 PolarHBondContact O-N 2.95Å; F140-V189 HydrophobicContact CB-CG1 4.24Å; F140-I190 HydrophobicContact CD2-CD1 4.07Å; F140-W193 VanDerWaalsContact CB-CD1 3.43Å; F140-W193 HydrophobicContact CB-CG 4.2Å; F140-W193 HydrophobicContact CD1-CB 4.22Å; F140-W193 AromaticContact CD1-CD1 3.55Å; F140-W193 AromaticContact CD1-CD2 3.43Å; F140-W193 HydrophobicContact CD1-CD2 3.43Å; F140-W193 VanDerWaalsContact CD1-CD2 3.43Å; F140-W193 AromaticContact CD1-CE2 3.48Å; F140-W193 VanDerWaalsContact CD1-CE2 3.48Å; F140-W193 HydrophobicContact CD1-CE3 4.07Å; F140-W193 AromaticContact CD1-CG 3.48Å; F140-W193 HydrophobicContact CD1-CG 3.48Å; F140-W193 VanDerWaalsContact CD1-CG 3.48Å; F140-W193 HydrophobicContact CD1-CZ2 4.11Å; F140-W193 AromaticContact CD1-NE1 3.54Å; F140-W193 HydrophobicContact CE1-CB 4.24Å; F140-W193 AromaticContact CE1-CD2 3.76Å; F140-W193 HydrophobicContact CE1-CD2 3.76Å; F140-W193 AromaticContact CE1-CE3 3.97Å; F140-W193 HydrophobicContact CE1-CE3 3.97Å; F140-W193 AromaticContact CE1-CG 3.89Å; F140-W193 HydrophobicContact CE1-CG 3.89Å; F140-W193 HydrophobicContact CG-CB 4.44Å; F140-W193 AromaticContact CG-CD1 3.56Å; F140-W193 HydrophobicContact CG-CD2 4.24Å; F140-W193 AromaticContact CG-CG 3.84Å; F140-W193 HydrophobicContact CG-CG 3.84Å; F140-W193 AromaticContact CG-NE1 3.78Å; F140-W193 PolarHBondContact O-NE1 3.37Å; F140-L213 HydrophobicContact CE1-CD1 3.83Å; F140-L213 HydrophobicContact CZ-CD1 3.77Å; F140-L213 HydrophobicContact CZ-CD2 4.1Å; F140-W242 AromaticContact CE2-CH2 3.91Å; F140-W242 HydrophobicContact CE2-CH2 3.91Å; F140-W242 AromaticContact CE2-CZ2 3.73Å; F140-W242 HydrophobicContact CE2-CZ2 3.73Å; F140-W242 AromaticContact CZ-CH2 3.93Å; F140-W242 HydrophobicContact CZ-CH2 3.93Å; F140-W242 AromaticContact CZ-CZ2 3.99Å; F140-W242 HydrophobicContact CZ-CZ2 3.99Å; F140-F246 HydrophobicContact CD2-CE1 4.35Å; F140-F246 HydrophobicContact CD2-CZ 4.18Å; F140-F246 HydrophobicContact CE2-CE1 4.36Å; F140-F246 AromaticContact CE2-CZ 3.77Å; F140-F246 HydrophobicContact CE2-CZ 3.77Å
141	Q	87.7	Confident	81.2	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-42.5	175.9	-178.6	165	-73.7	0	0	111.8	G137 M138 W139 L144 R145 S179 P181 V189	G137-Q141 PolarHBondContact O-N 3.07Å; M138-Q141 PolarHBondContact O-N 3.16Å; W139-Q141 VanDerWaalsContact C-N 3.33Å; W139-Q141 PolarHBondContact O-N 2.98Å; Q141-L144 PolarHBondContact O-N 3.48Å; Q141-R145 WeakPolarHBondContact O-CB 3.26Å; Q141-R145 PolarHBondContact O-N 2.65Å; Q141-S179 PolarHBondContact OE1-OG 3.47Å; Q141-P181 PolarHBondContact NE2-O 2.82Å; Q141-V189 HydrophobicContact CB-CG1 4.19Å
142	E	85.3	Confident	78.8	Confident	65 Å²	65	50.9 Å²	50.9	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-68.6	-42.3	178.9	178.8	54.4	-156.7	0	0	111.9	M138 W139 L144 R145 Q146	M138-E142 WeakPolarHBondContact O-CB 3.01Å; M138-E142 PolarHBondContact O-N 3.49Å; W139-E142 PolarHBondContact O-N 3.39Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 3.47Å; E142-R145 WeakPolarHBondContact O-CB 3.35Å; E142-R145 PolarHBondContact O-N 3.32Å; E142-R145 VanDerWaalsContact O-N 3.15Å; E142-R145 IonicContact OE1-CZ 3.44Å; E142-R145 IonicContact OE1-NE 3.47Å; E142-R145 PolarHBondContact OE1-NE 3.05Å; E142-R145 IonicContact OE1-NH2 2.65Å; E142-R145 PolarHBondContact OE1-NH2 3.12Å; E142-R145 IonicContact OE2-CZ 3.5Å; E142-R145 IonicContact OE2-NE 2.75Å; E142-R145 PolarHBondContact OE2-NE 3.44Å; E142-R145 IonicContact OE2-NH2 3.41Å; E142-R145 PolarHBondContact OE2-NH2 3.24Å; E142-Q146 WeakPolarHBondContact O-CG 3.21Å; E142-Q146 PolarHBondContact O-N 3.3Å; E142-Q146 WeakPolarHBondContact OE1-CG 3.23Å; E142-Q146 PolarHBondContact OE1-NE2 3.3Å
143	L	84	Confident	76.5	Confident	34 Å²	34	63.1 Å²	63.1	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-41.5	175.4	-178	58.2	0	0	0	111.1	W139 K147 L161 W193	W139-L143 HydrophobicContact CH2-CD2 3.61Å; W139-L143 HydrophobicContact CZ2-CD2 3.73Å; W139-L143 HydrophobicContact CZ3-CD2 4.07Å; W139-L143 VanDerWaalsContact O-CB 3.29Å; W139-L143 WeakPolarHBondContact O-CB 3.26Å; W139-L143 PolarHBondContact O-N 3.09Å; L143-K147 PolarHBondContact O-N 3.46Å; L143-L161 HydrophobicContact CD1-CD1 4.03Å; L143-L161 HydrophobicContact CD2-CD1 4.05Å; L143-L161 HydrophobicContact CD2-CD2 4.48Å; L143-L161 HydrophobicContact CG-CD1 3.84Å; L143-W193 HydrophobicContact CB-CZ2 4.04Å; L143-W193 HydrophobicContact CD2-CH2 3.34Å; L143-W193 HydrophobicContact CD2-CZ2 3.52Å; L143-W193 HydrophobicContact CD2-CZ3 4.37Å; L143-W193 HydrophobicContact CG-CH2 3.85Å; L143-W193 HydrophobicContact CG-CZ2 3.69Å
144	L	82.3	Confident	74.1	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-46.7	173.1	-171.5	56.4	0	0	0	110.7	F140 Q141 E142 Q146 K147 W148 V176 V189 Y192	F140-L144 VanDerWaalsContact O-CB 3.28Å; F140-L144 WeakPolarHBondContact O-CB 3.41Å; F140-L144 PolarHBondContact O-N 2.95Å; Q141-L144 PolarHBondContact O-N 3.48Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 3.47Å; L144-Q146 PolarHBondContact O-N 3.14Å; L144-K147 VanDerWaalsContact O-CB 3.29Å; L144-K147 WeakPolarHBondContact O-CB 3.49Å; L144-K147 PolarHBondContact O-N 3.1Å; L144-W148 HydrophobicContact CD1-CZ2 3.74Å; L144-W148 HydrophobicContact CG-CZ2 4.47Å; L144-W148 PolarHBondContact O-N 2.97Å; L144-W148 PolarHBondContact O-NE1 3.25Å; L144-V176 HydrophobicContact CD2-CG2 3.61Å; L144-V176 HydrophobicContact CG-CG2 3.93Å; L144-V189 HydrophobicContact CD2-CB 4.5Å; L144-V189 HydrophobicContact CD2-CG1 4.14Å; L144-V189 HydrophobicContact CD2-CG2 4.07Å; L144-Y192 HydrophobicContact CD1-CD1 3.91Å; L144-Y192 HydrophobicContact CD1-CE1 3.56Å; L144-Y192 HydrophobicContact CD2-CD1 4.03Å
145	R	77.6	Confident	72	Confident	113 Å²	113	67.7 Å²	67.7	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-55.2	-46.1	176.3	-166.8	-168.3	68.2	76.1	1.6	112.9	Q141 E142 K147 W148 S149	Q141-R145 WeakPolarHBondContact O-CB 3.26Å; Q141-R145 PolarHBondContact O-N 2.65Å; E142-R145 WeakPolarHBondContact O-CB 3.35Å; E142-R145 PolarHBondContact O-N 3.32Å; E142-R145 VanDerWaalsContact O-N 3.15Å; E142-R145 IonicContact OE1-CZ 3.44Å; E142-R145 IonicContact OE1-NE 3.47Å; E142-R145 PolarHBondContact OE1-NE 3.05Å; E142-R145 IonicContact OE1-NH2 2.65Å; E142-R145 PolarHBondContact OE1-NH2 3.12Å; E142-R145 IonicContact OE2-CZ 3.5Å; E142-R145 IonicContact OE2-NE 2.75Å; E142-R145 PolarHBondContact OE2-NE 3.44Å; E142-R145 IonicContact OE2-NH2 3.41Å; E142-R145 PolarHBondContact OE2-NH2 3.24Å; R145-K147 VanDerWaalsContact C-N 3.31Å; R145-K147 PolarHBondContact O-N 3.24Å; R145-W148 WeakPolarHBondContact O-CB 3.26Å; R145-W148 PolarHBondContact O-N 3.2Å; R145-S149 PolarHBondContact O-N 2.8Å
146	Q	74.2	Confident	70	Confident	100 Å²	100	65 Å²	65	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-42.1	-179.7	-74.1	176.6	12.4	0	0	111.5	E142 L144 W148 S149	E142-Q146 WeakPolarHBondContact O-CG 3.21Å; E142-Q146 PolarHBondContact O-N 3.3Å; E142-Q146 WeakPolarHBondContact OE1-CG 3.23Å; E142-Q146 PolarHBondContact OE1-NE2 3.3Å; L144-Q146 PolarHBondContact O-N 3.14Å; Q146-W148 PolarHBondContact O-N 3.07Å; Q146-W148 VanDerWaalsContact O-N 3.13Å; Q146-S149 PolarHBondContact O-N 3.17Å; Q146-S149 PolarHBondContact O-OG 3.49Å
147	K	67.3	Low	67.7	Low	25 Å²	25	70.7 Å²	70.7	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-55.8	-26.9	173.6	-162	-177.9	178.5	90.9	0	113	L143 L144 R145 S150 R162 M164	L143-K147 PolarHBondContact O-N 3.46Å; L144-K147 VanDerWaalsContact O-CB 3.29Å; L144-K147 WeakPolarHBondContact O-CB 3.49Å; L144-K147 PolarHBondContact O-N 3.1Å; R145-K147 VanDerWaalsContact C-N 3.31Å; R145-K147 PolarHBondContact O-N 3.24Å; K147-S150 PolarHBondContact O-OG 3.32Å; K147-R162 PolarHBondContact NZ-O 2.86Å; K147-M164 HydrophobicContact CD-CE 3.62Å; K147-M164 HydrophobicContact CG-CE 4.21Å
148	W	60.1	Low	65.4	Low	53 Å²	53	78 Å²	78	20%	0.201	40%	0.397	C	S	.	.	H	α-helix	trans	-95	-30.1	177.6	-52	113.2	0	0	0	114.8	L144 R145 Q146 S150 M164 R169 T172	L144-W148 HydrophobicContact CD1-CZ2 3.74Å; L144-W148 HydrophobicContact CG-CZ2 4.47Å; L144-W148 PolarHBondContact O-N 2.97Å; L144-W148 PolarHBondContact O-NE1 3.25Å; R145-W148 WeakPolarHBondContact O-CB 3.26Å; R145-W148 PolarHBondContact O-N 3.2Å; Q146-W148 PolarHBondContact O-N 3.07Å; Q146-W148 VanDerWaalsContact O-N 3.13Å; W148-S150 PolarHBondContact O-N 3.3Å; W148-M164 HydrophobicContact CE3-CE 4.18Å; W148-M164 HydrophobicContact CH2-CE 2.82Å; W148-M164 HydrophobicContact CH2-SD 3.38Å; W148-M164 WeakPolarHBondContact CH2-SD 3.37Å; W148-M164 HydrophobicContact CZ2-CE 3.37Å; W148-M164 HydrophobicContact CZ2-SD 3.79Å; W148-M164 HydrophobicContact CZ3-CE 3.25Å; W148-M164 HydrophobicContact CZ3-SD 4.3Å; W148-R169 HydrophobicContact CE3-CG 4.47Å; W148-R169 VanDerWaalsContact CH2-CA 3.49Å; W148-R169 HydrophobicContact CH2-CB 4.13Å; W148-R169 HydrophobicContact CH2-CG 4.35Å; W148-R169 HydrophobicContact CZ3-CB 3.82Å; W148-R169 HydrophobicContact CZ3-CG 3.58Å; W148-T172 WeakPolarHBondContact CH2-OG1 3.29Å; W148-T172 HydrophobicContact CZ2-CG2 4.46Å; W148-T172 WeakPolarHBondContact CZ2-OG1 3.38Å
149	S	54.5	Low	63.6	Low	70 Å²	70	79 Å²	79	49%	0.49	41%	0.406	S	S	.	.	H	α-helix	trans	-66.3	-17.3	-174.8	66.6	0	0	0	0	112.9	R145 Q146 T151	R145-S149 PolarHBondContact O-N 2.8Å; Q146-S149 PolarHBondContact O-N 3.17Å; Q146-S149 PolarHBondContact O-OG 3.49Å; S149-T151 PolarHBondContact O-N 3.21Å
150	S	47.8	Very low	61.7	Low	58 Å²	58	82.3 Å²	82.3	41%	0.406	43%	0.429	S	S	.	.			trans	-71.8	92.3	166.3	48.9	0	0	0	0	110.8	K147 W148 S152	K147-S150 PolarHBondContact O-OG 3.32Å; W148-S150 PolarHBondContact O-N 3.3Å; S150-S152 PolarHBondContact O-N 2.96Å
151	T	43.9	Very low	60.2	Low	148 Å²	148	83.7 Å²	83.7	91%	0.908	44%	0.436	S	S	*	.			trans	-59.1	27.9	144.8	30.2	0	0	0	0	112.3	S149	S149-T151 PolarHBondContact O-N 3.21Å
152	S	44.3	Very low	59.2	Low	62 Å²	62	88.9 Å²	88.9	43%	0.434	46%	0.455	S	S	.	.			trans	-94	124.5	-169.7	-172.7	0	0	0	0	108.9	S150 S154	S150-S152 PolarHBondContact O-N 2.96Å; S152-S154 WeakPolarHBondContact CB-OG 3.43Å; S152-S154 PolarHBondContact O-N 3.27Å; S152-S154 WeakPolarHBondContact OG-CB 3.48Å; S152-S154 PolarHBondContact OG-N 3.49Å; S152-S154 PolarHBondContact OG-OG 3.29Å
153	W	47.3	Very low	58.4	Low	264 Å²	264	89 Å²	89	100%	1	46%	0.462	S	S	*	.			trans	-63.5	11.2	159.7	-65.8	-13.5	0	0	0	113.4	N155	W153-N155 PolarHBondContact O-N 3.49Å
154	S	46.7	Very low	57.7	Low	60 Å²	60	88.1 Å²	88.1	42%	0.42	46%	0.457	S	S	.	.	S	Bend	trans	-69.9	117.9	164.5	59.7	0	0	0	0	108.2	S152 D156	S152-S154 WeakPolarHBondContact CB-OG 3.43Å; S152-S154 PolarHBondContact O-N 3.27Å; S152-S154 WeakPolarHBondContact OG-CB 3.48Å; S152-S154 PolarHBondContact OG-N 3.49Å; S152-S154 PolarHBondContact OG-OG 3.29Å; S154-D156 PolarHBondContact O-N 2.72Å
155	N	49.5	Very low	57.4	Low	134 Å²	134	91.9 Å²	91.9	72%	0.717	48%	0.478	S	S	*	.			trans	-45.7	138	167.6	-68.7	-34.1	0	0	0	108.9	W153 D157	W153-N155 PolarHBondContact O-N 3.49Å; N155-D157 HydrophobicContact CB-CB 4.15Å; N155-D157 PolarHBondContact O-N 3.24Å
156	D	52.3	Low	57.4	Low	48 Å²	48	90.1 Å²	90.1	26%	0.257	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-53.1	0.5	174.1	-78.9	-10.4	0	0	0	114.4	S154 D158 S159 P163 M164 R169	S154-D156 PolarHBondContact O-N 2.72Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 2.96Å; D156-S159 PolarHBondContact O-N 2.86Å; D156-P163 HydrophobicContact CB-CB 3.77Å; D156-P163 HydrophobicContact CB-CG 4.18Å; D156-M164 PolarHBondContact OD2-N 3.12Å; D156-R169 IonicContact OD1-NH2 3.71Å; D156-R169 IonicContact OD2-CZ 3.55Å; D156-R169 IonicContact OD2-NH2 2.67Å; D156-R169 PolarHBondContact OD2-NH2 3.09Å
157	D	48.9	Very low	57.6	Low	128 Å²	128	89.6 Å²	89.6	68%	0.684	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-67.5	-27.8	-173	-138	12.6	0	0	0	113.2	N155 S159	N155-D157 HydrophobicContact CB-CB 4.15Å; N155-D157 PolarHBondContact O-N 3.24Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 PolarHBondContact O-N 3.33Å
158	D	45.6	Very low	58.1	Low	155 Å²	155	88.6 Å²	88.6	83%	0.829	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-88.1	2.3	-178.6	-74.5	-16.9	0	0	0	113.9	D156	D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 2.96Å
159	S	52.7	Low	58.8	Low	49 Å²	49	90.3 Å²	90.3	34%	0.343	49%	0.486	S	S	.	.	S	Bend	trans	-81.8	137.7	178.5	155.7	0	0	0	0	111.3	D156 D157 L161	D156-S159 PolarHBondContact O-N 2.86Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 PolarHBondContact O-N 3.33Å; S159-L161 WeakPolarHBondContact CB-O 3.27Å; S159-L161 PolarHBondContact O-N 3.39Å; S159-L161 WeakPolarHBondContact OG-CA 3.33Å; S159-L161 WeakPolarHBondContact OG-CB 3.44Å; S159-L161 PolarHBondContact OG-N 3.03Å; S159-L161 PolarHBondContact OG-O 3.34Å
160	L	52.1	Low	59.9	Low	147 Å²	147	90.5 Å²	90.5	77%	0.77	49%	0.487	S	S	*	.	S	Bend	trans	-57.2	-21.3	169.8	-70.2	171	0	0	0	112.7	L216	L160-L216 HydrophobicContact CB-CD2 4.28Å; L160-L216 HydrophobicContact CD1-CD2 3.58Å; L160-L216 HydrophobicContact CG-CD2 4.44Å
161	L	61.2	Low	61.3	Low	30 Å²	30	89.5 Å²	89.5	16%	0.157	48%	0.479	C	S	.	.	S	Bend	trans	-101	145	176.9	-51.5	168.5	0	0	0	110.4	L143 S159 W193 L216	L143-L161 HydrophobicContact CD1-CD1 4.03Å; L143-L161 HydrophobicContact CD2-CD1 4.05Å; L143-L161 HydrophobicContact CD2-CD2 4.48Å; L143-L161 HydrophobicContact CG-CD1 3.84Å; S159-L161 WeakPolarHBondContact CB-O 3.27Å; S159-L161 PolarHBondContact O-N 3.39Å; S159-L161 WeakPolarHBondContact OG-CA 3.33Å; S159-L161 WeakPolarHBondContact OG-CB 3.44Å; S159-L161 PolarHBondContact OG-N 3.03Å; S159-L161 PolarHBondContact OG-O 3.34Å; L161-W193 HydrophobicContact CD1-CH2 3.45Å; L161-W193 VanDerWaalsContact CD1-CH2 3.45Å; L161-W193 HydrophobicContact CD1-CZ2 4.2Å; L161-W193 HydrophobicContact CD1-CZ3 4.34Å; L161-W193 HydrophobicContact CD2-CH2 3.66Å; L161-W193 HydrophobicContact CD2-CZ3 3.8Å; L161-W193 HydrophobicContact CG-CH2 4.16Å; L161-L216 HydrophobicContact CD2-CD1 4.43Å
162	R	66.7	Low	62.8	Low	121 Å²	121	82.5 Å²	82.5	46%	0.457	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-48	143.7	179.9	-171.3	-171.1	-80.1	152.5	-5.8	112.5	K147	K147-R162 PolarHBondContact NZ-O 2.86Å
163	P	67.5	Low	64.3	Low	69 Å²	69	82.4 Å²	82.4	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-52.2	140.7	164.7	-26.6	35.2	0	0	0	111.8	D156	D156-P163 HydrophobicContact CB-CB 3.77Å; D156-P163 HydrophobicContact CB-CG 4.18Å
164	M	70.3	Confident	65.7	Low	14 Å²	14	76.4 Å²	76.4	7%	0.069	42%	0.416	C	S	.	.			trans	-107.5	132.7	-174	-170.8	163.4	38.8	0	0	110.1	K147 W148 D156 A168 R169 Y192	K147-M164 HydrophobicContact CD-CE 3.62Å; K147-M164 HydrophobicContact CG-CE 4.21Å; W148-M164 HydrophobicContact CE3-CE 4.18Å; W148-M164 HydrophobicContact CH2-CE 2.82Å; W148-M164 HydrophobicContact CH2-SD 3.38Å; W148-M164 WeakPolarHBondContact CH2-SD 3.37Å; W148-M164 HydrophobicContact CZ2-CE 3.37Å; W148-M164 HydrophobicContact CZ2-SD 3.79Å; W148-M164 HydrophobicContact CZ3-CE 3.25Å; W148-M164 HydrophobicContact CZ3-SD 4.3Å; D156-M164 PolarHBondContact OD2-N 3.12Å; M164-A168 HydrophobicContact CG-CB 3.35Å; M164-A168 HydrophobicContact SD-CB 4.03Å; M164-R169 PolarHBondContact O-NH1 3.13Å; M164-R169 PolarHBondContact O-NH2 3.43Å; M164-R169 VanDerWaalsContact O-NH2 3.12Å; M164-Y192 HydrophobicContact SD-CE2 4.33Å; M164-Y192 PolarHBondContact SD-OH 3.03Å; M164-Y192 VanDerWaalsContact SD-OH 3.4Å
165	D	75.1	Confident	67.1	Low	82 Å²	82	75 Å²	75	44%	0.439	40%	0.404	S	S	.	.			trans	-68.2	169.9	176.1	67.8	54.1	0	0	0	111.8	K167 A168 R169	D165-K167 VanDerWaalsContact C-N 3.28Å; D165-K167 PolarHBondContact O-N 2.68Å; D165-K167 WeakPolarHBondContact OD1-CA 3.43Å; D165-K167 WeakPolarHBondContact OD1-CB 3.23Å; D165-K167 PolarHBondContact OD1-N 3.29Å; D165-A168 PolarHBondContact OD1-N 2.76Å; D165-R169 WeakPolarHBondContact O-CB 3.48Å; D165-R169 PolarHBondContact O-N 2.98Å; D165-R169 PolarHBondContact O-NH1 3.46Å
166	A	77.2	Confident	68.1	Low	76 Å²	76	69.8 Å²	69.8	63%	0.628	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-31.3	-178.1	0	0	0	0	0	113.4	S170	A166-S170 PolarHBondContact O-N 2.66Å
167	K	79.4	Confident	69.1	Low	88 Å²	88	72 Å²	72	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-72.9	-55.9	-178.4	-178.7	-177.3	172.8	-173.6	0	109.8	D165 R169 S170 T171 N257 K260	D165-K167 VanDerWaalsContact C-N 3.28Å; D165-K167 PolarHBondContact O-N 2.68Å; D165-K167 WeakPolarHBondContact OD1-CA 3.43Å; D165-K167 WeakPolarHBondContact OD1-CB 3.23Å; D165-K167 PolarHBondContact OD1-N 3.29Å; K167-R169 PolarHBondContact O-N 3.2Å; K167-S170 PolarHBondContact O-N 3.17Å; K167-S170 PolarHBondContact O-OG 3.24Å; K167-T171 PolarHBondContact O-N 3.04Å; K167-T171 PolarHBondContact O-OG1 2.96Å; K167-N257 PolarHBondContact NZ-O 3.44Å; K167-K260 PolarHBondContact NZ-O 3.03Å
168	A	76.1	Confident	70	Confident	4 Å²	4	72.3 Å²	72.3	3%	0.033	39%	0.393	C	S	.	.	H	α-helix	trans	-50.6	-42.9	172.9	0	0	0	0	0	110.3	M164 D165 T171 T172 F259	M164-A168 HydrophobicContact CG-CB 3.35Å; M164-A168 HydrophobicContact SD-CB 4.03Å; D165-A168 PolarHBondContact OD1-N 2.76Å; A168-T171 PolarHBondContact O-N 3Å; A168-T172 WeakPolarHBondContact O-CB 3.29Å; A168-T172 WeakPolarHBondContact O-CG2 3.49Å; A168-T172 PolarHBondContact O-N 3.31Å; A168-T172 VanDerWaalsContact O-N 3.1Å; A168-T172 PolarHBondContact O-OG1 2.8Å; A168-F259 WeakPolarHBondContact CA-O 3.28Å; A168-F259 WeakPolarHBondContact CB-O 3.38Å
169	R	75.4	Confident	71	Confident	90 Å²	90	65.8 Å²	65.8	34%	0.34	36%	0.36	S	S	.	.	H	α-helix	trans	-54.4	-52.3	173.2	171.6	163.7	-49.3	97.2	-12.3	114.8	W148 D156 M164 D165 K167 T172 S173	W148-R169 HydrophobicContact CE3-CG 4.47Å; W148-R169 VanDerWaalsContact CH2-CA 3.49Å; W148-R169 HydrophobicContact CH2-CB 4.13Å; W148-R169 HydrophobicContact CH2-CG 4.35Å; W148-R169 HydrophobicContact CZ3-CB 3.82Å; W148-R169 HydrophobicContact CZ3-CG 3.58Å; D156-R169 IonicContact OD1-NH2 3.71Å; D156-R169 IonicContact OD2-CZ 3.55Å; D156-R169 IonicContact OD2-NH2 2.67Å; D156-R169 PolarHBondContact OD2-NH2 3.09Å; M164-R169 PolarHBondContact O-NH1 3.13Å; M164-R169 PolarHBondContact O-NH2 3.43Å; M164-R169 VanDerWaalsContact O-NH2 3.12Å; D165-R169 WeakPolarHBondContact O-CB 3.48Å; D165-R169 PolarHBondContact O-N 2.98Å; D165-R169 PolarHBondContact O-NH1 3.46Å; K167-R169 PolarHBondContact O-N 3.2Å; R169-T172 PolarHBondContact O-OG1 3.37Å; R169-S173 VanDerWaalsContact O-CB 3.28Å; R169-S173 WeakPolarHBondContact O-CB 3.43Å; R169-S173 PolarHBondContact O-N 3.39Å
170	S	77.2	Confident	71.7	Confident	74 Å²	74	65.7 Å²	65.7	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-66.5	-43.9	-179.4	69.8	0	0	0	0	112.9	A166 K167 K174	A166-S170 PolarHBondContact O-N 2.66Å; K167-S170 PolarHBondContact O-N 3.17Å; K167-S170 PolarHBondContact O-OG 3.24Å; S170-K174 PolarHBondContact O-N 2.89Å
171	T	77.8	Confident	72.3	Confident	36 Å²	36	62.4 Å²	62.4	22%	0.221	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-50.5	-175.7	-57.7	0	0	0	0	110.7	K167 A168 K174 L175 E258 F259	K167-T171 PolarHBondContact O-N 3.04Å; K167-T171 PolarHBondContact O-OG1 2.96Å; A168-T171 PolarHBondContact O-N 3Å; T171-K174 PolarHBondContact O-N 3.2Å; T171-L175 HydrophobicContact CG2-CD1 3.99Å; T171-L175 VanDerWaalsContact O-CG 3.24Å; T171-L175 WeakPolarHBondContact O-CG 3.48Å; T171-L175 PolarHBondContact O-N 3.34Å; T171-E258 PolarHBondContact OG1-O 2.63Å; T171-F259 HydrophobicContact CG2-CD1 3.86Å; T171-F259 HydrophobicContact CG2-CE1 3.88Å
172	T	76.5	Confident	72.6	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	37%	0.373	C	S	.	.	H	α-helix	trans	-72	-34.9	-176.2	49.4	0	0	0	0	113.6	W148 A168 R169 K174 L175 V176 Y192 F259	W148-T172 WeakPolarHBondContact CH2-OG1 3.29Å; W148-T172 HydrophobicContact CZ2-CG2 4.46Å; W148-T172 WeakPolarHBondContact CZ2-OG1 3.38Å; A168-T172 WeakPolarHBondContact O-CB 3.29Å; A168-T172 WeakPolarHBondContact O-CG2 3.49Å; A168-T172 PolarHBondContact O-N 3.31Å; A168-T172 VanDerWaalsContact O-N 3.1Å; A168-T172 PolarHBondContact O-OG1 2.8Å; R169-T172 PolarHBondContact O-OG1 3.37Å; T172-K174 VanDerWaalsContact C-N 3.3Å; T172-K174 PolarHBondContact O-N 2.78Å; T172-L175 PolarHBondContact O-N 2.79Å; T172-L175 VanDerWaalsContact O-N 3.14Å; T172-V176 WeakPolarHBondContact O-CG2 3.34Å; T172-V176 PolarHBondContact O-N 3.09Å; T172-Y192 HydrophobicContact CG2-CD1 4.41Å; T172-Y192 HydrophobicContact CG2-CD2 3.4Å; T172-Y192 HydrophobicContact CG2-CE2 3.76Å; T172-Y192 HydrophobicContact CG2-CG 3.76Å; T172-F259 HydrophobicContact CG2-CD1 4Å; T172-F259 HydrophobicContact CG2-CE1 4.03Å
173	S	75.4	Confident	73.1	Confident	61 Å²	61	69.7 Å²	69.7	43%	0.427	39%	0.385	S	S	.	.	H	α-helix	trans	-58	-44.3	173.7	176.7	0	0	0	0	111.6	R169 L175 S177	R169-S173 VanDerWaalsContact O-CB 3.28Å; R169-S173 WeakPolarHBondContact O-CB 3.43Å; R169-S173 PolarHBondContact O-N 3.39Å; S173-L175 VanDerWaalsContact C-N 3.34Å; S173-L175 PolarHBondContact O-N 3.16Å; S173-S177 WeakPolarHBondContact O-CB 3.43Å; S173-S177 PolarHBondContact O-N 2.85Å; S173-S177 VanDerWaalsContact O-N 3.1Å; S173-S177 PolarHBondContact O-OG 2.97Å
174	K	76.9	Confident	73.8	Confident	138 Å²	138	72.5 Å²	72.5	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-61.5	-43.7	175.2	-169	179.6	-179.7	-176.6	0	111.3	S170 T171 T172 S177 Q178	S170-K174 PolarHBondContact O-N 2.89Å; T171-K174 PolarHBondContact O-N 3.2Å; T172-K174 VanDerWaalsContact C-N 3.3Å; T172-K174 PolarHBondContact O-N 2.78Å; K174-S177 PolarHBondContact O-OG 3.13Å; K174-Q178 WeakPolarHBondContact O-CG 3.44Å; K174-Q178 PolarHBondContact O-N 3.06Å
175	L	74.4	Confident	74.5	Confident	31 Å²	31	72.5 Å²	72.5	16%	0.162	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-44.7	-178.7	-66	166.4	0	0	0	113	T171 T172 S173 Q178 N186 A188 F259	T171-L175 HydrophobicContact CG2-CD1 3.99Å; T171-L175 VanDerWaalsContact O-CG 3.24Å; T171-L175 WeakPolarHBondContact O-CG 3.48Å; T171-L175 PolarHBondContact O-N 3.34Å; T172-L175 PolarHBondContact O-N 2.79Å; T172-L175 VanDerWaalsContact O-N 3.14Å; S173-L175 VanDerWaalsContact C-N 3.34Å; S173-L175 PolarHBondContact O-N 3.16Å; L175-Q178 PolarHBondContact O-N 3.21Å; L175-N186 PolarHBondContact O-ND2 2.82Å; L175-A188 HydrophobicContact CB-CB 4.14Å; L175-A188 HydrophobicContact CD1-CB 3.61Å; L175-A188 HydrophobicContact CD2-CB 3.52Å; L175-A188 HydrophobicContact CG-CB 3.92Å; L175-F259 HydrophobicContact CD1-CE1 3.66Å; L175-F259 HydrophobicContact CD1-CZ 4.16Å
176	V	71.5	Confident	75.2	Confident	24 Å²	24	69.6 Å²	69.6	15%	0.145	37%	0.372	C	S	.	.	H	α-helix	trans	-67.6	-37.3	179	175.8	0	0	0	0	111.4	L144 T172 Q178 S179 V189	L144-V176 HydrophobicContact CD2-CG2 3.61Å; L144-V176 HydrophobicContact CG-CG2 3.93Å; T172-V176 WeakPolarHBondContact O-CG2 3.34Å; T172-V176 PolarHBondContact O-N 3.09Å; V176-Q178 PolarHBondContact O-N 2.91Å; V176-S179 WeakPolarHBondContact O-CB 3.19Å; V176-S179 PolarHBondContact O-N 3.01Å; V176-S179 VanDerWaalsContact O-N 3.1Å; V176-V189 HydrophobicContact CG2-CG2 4.32Å
177	S	72.9	Confident	75.9	Confident	94 Å²	94	66 Å²	66	66%	0.657	34%	0.342	S	S	*	.	H	α-helix	trans	-63.3	-21.2	178.1	73	0	0	0	0	113.9	S173 K174	S173-S177 WeakPolarHBondContact O-CB 3.43Å; S173-S177 PolarHBondContact O-N 2.85Å; S173-S177 VanDerWaalsContact O-N 3.1Å; S173-S177 PolarHBondContact O-OG 2.97Å; K174-S177 PolarHBondContact O-OG 3.13Å
178	Q	69.2	Low	76.4	Confident	134 Å²	134	62 Å²	62	63%	0.626	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.8	178.6	-67.6	176.9	-18.5	0	0	113.1	K174 L175 V176	K174-Q178 WeakPolarHBondContact O-CG 3.44Å; K174-Q178 PolarHBondContact O-N 3.06Å; L175-Q178 PolarHBondContact O-N 3.21Å; V176-Q178 PolarHBondContact O-N 2.91Å
179	S	66.4	Low	77.1	Confident	18 Å²	18	61.9 Å²	61.9	13%	0.126	32%	0.324	C	S	.	.	S	Bend	trans	-77.6	130.6	177.3	-61.1	0	0	0	0	111.8	Q141 V176 P181 N186	Q141-S179 PolarHBondContact OE1-OG 3.47Å; V176-S179 WeakPolarHBondContact O-CB 3.19Å; V176-S179 PolarHBondContact O-N 3.01Å; V176-S179 VanDerWaalsContact O-N 3.1Å; S179-P181 WeakPolarHBondContact O-CD 3.27Å; S179-N186 VanDerWaalsContact OG-CB 3.23Å; S179-N186 WeakPolarHBondContact OG-CB 3.19Å; S179-N186 PolarHBondContact OG-ND2 3.29Å
180	S	66.4	Low	78	Confident	48 Å²	48	57.6 Å²	57.6	34%	0.336	31%	0.308	S	S	.	.			trans	-61.6	120.4	155	-71.3	0	0	0	0	108.1	H182 E183	S180-H182 PolarHBondContact O-N 3.06Å; S180-E183 WeakPolarHBondContact CB-OE2 3.49Å; S180-E183 PolarHBondContact OG-OE2 3.22Å
181	P	64.4	Low	78.8	Confident	78 Å²	78	54 Å²	54	51%	0.506	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.2	-169.3	-27.1	34.5	0	0	0	115.9	M138 Q141 S179	M138-P181 WeakPolarHBondContact CE-O 3.31Å; Q141-P181 PolarHBondContact NE2-O 2.82Å; S179-P181 WeakPolarHBondContact O-CD 3.27Å
182	H	68.6	Low	79.5	Confident	153 Å²	153	52.6 Å²	52.6	71%	0.708	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	1.9	-169.2	-58.5	-55.4	0	0	0	116	S180	S180-H182 PolarHBondContact O-N 3.06Å
183	E	76	Confident	80.2	Confident	151 Å²	151	53.1 Å²	53.1	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-36.7	-173.7	-67.7	177.2	154.7	0	0	112.8	S180	S180-E183 WeakPolarHBondContact CB-OE2 3.49Å; S180-E183 PolarHBondContact OG-OE2 3.22Å
184	R	83	Confident	81.1	Confident	127 Å²	127	50.3 Å²	50.3	48%	0.479	26%	0.256	S	S	.	.	S	Bend	trans	-153.2	154.2	-176.8	69.8	-168.2	-167.3	101.6	-9.9	111	E252	R184-E252 IonicContact CZ-OE1 3.54Å; R184-E252 IonicContact CZ-OE2 3.92Å; R184-E252 IonicContact NH1-OE1 2.75Å; R184-E252 PolarHBondContact NH1-OE1 3.11Å; R184-E252 IonicContact NH1-OE2 2.88Å; R184-E252 PolarHBondContact NH1-OE2 2.94Å; R184-E252 IonicContact NH2-OE1 3.51Å
185	V	85.4	Confident	81.9	Confident	15 Å²	15	43.9 Å²	43.9	9%	0.091	23%	0.228	C	C	.	.			trans	-70.2	127.7	169	179.7	0	0	0	0	108.3	F134 M138 G187 I190 I248	F134-V185 HydrophobicContact CD2-CG2 3.93Å; M138-V185 HydrophobicContact SD-CG2 4.38Å; V185-G187 PolarHBondContact O-N 3.17Å; V185-I190 HydrophobicContact CG1-CD1 3.53Å; V185-I190 HydrophobicContact CG1-CG1 3.29Å; V185-I248 HydrophobicContact CB-CD1 4.36Å; V185-I248 HydrophobicContact CG1-CD1 4.11Å
186	N	88.3	Confident	82.6	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.107	23%	0.229	C	C	.	.			trans	-77.5	120.5	175.3	179.5	-27.5	0	0	0	109.9	L175 S179 A188 V189 I190	L175-N186 PolarHBondContact O-ND2 2.82Å; S179-N186 VanDerWaalsContact OG-CB 3.23Å; S179-N186 WeakPolarHBondContact OG-CB 3.19Å; S179-N186 PolarHBondContact OG-ND2 3.29Å; N186-A188 PolarHBondContact O-N 2.82Å; N186-A188 VanDerWaalsContact OD1-CB 3.31Å; N186-A188 WeakPolarHBondContact OD1-CB 3.25Å; N186-A188 PolarHBondContact OD1-N 3.04Å; N186-V189 HydrophobicContact CB-CB 4.29Å; N186-V189 HydrophobicContact CB-CG2 3.83Å; N186-V189 WeakPolarHBondContact O-CB 3.44Å; N186-V189 PolarHBondContact O-N 3.23Å; N186-I190 PolarHBondContact O-N 3.28Å
187	G	92.3	Very high	83.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-53.9	-36.6	179.4	0	0	0	0	0	114.1	V185 V189 I190 S191 I248 E252	V185-G187 PolarHBondContact O-N 3.17Å; G187-V189 VanDerWaalsContact C-N 3.35Å; G187-V189 PolarHBondContact O-N 3.09Å; G187-I190 PolarHBondContact O-N 3.06Å; G187-S191 PolarHBondContact O-N 3.08Å; G187-S191 PolarHBondContact O-OG 3.38Å; G187-I248 VanDerWaalsContact CA-CG2 3.45Å; G187-E252 CarbonylContact C-O 3.59Å
188	A	90.6	Very high	84.4	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-71.8	-27.8	179.4	0	0	0	0	0	113.4	L175 N186 Y192 V254	L175-A188 HydrophobicContact CB-CB 4.14Å; L175-A188 HydrophobicContact CD1-CB 3.61Å; L175-A188 HydrophobicContact CD2-CB 3.52Å; L175-A188 HydrophobicContact CG-CB 3.92Å; N186-A188 PolarHBondContact O-N 2.82Å; N186-A188 VanDerWaalsContact OD1-CB 3.31Å; N186-A188 WeakPolarHBondContact OD1-CB 3.25Å; N186-A188 PolarHBondContact OD1-N 3.04Å; A188-Y192 WeakPolarHBondContact O-CB 3.4Å; A188-Y192 PolarHBondContact O-N 2.97Å; A188-V254 HydrophobicContact CB-CG2 3.71Å
189	V	90.7	Very high	85.1	Confident	2 Å²	2	37 Å²	37	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-45.4	171	172.1	0	0	0	0	109.6	F140 Q141 L144 V176 N186 G187 S191 Y192 W193	F140-V189 HydrophobicContact CB-CG1 4.24Å; Q141-V189 HydrophobicContact CB-CG1 4.19Å; L144-V189 HydrophobicContact CD2-CB 4.5Å; L144-V189 HydrophobicContact CD2-CG1 4.14Å; L144-V189 HydrophobicContact CD2-CG2 4.07Å; V176-V189 HydrophobicContact CG2-CG2 4.32Å; N186-V189 HydrophobicContact CB-CB 4.29Å; N186-V189 HydrophobicContact CB-CG2 3.83Å; N186-V189 WeakPolarHBondContact O-CB 3.44Å; N186-V189 PolarHBondContact O-N 3.23Å; G187-V189 VanDerWaalsContact C-N 3.35Å; G187-V189 PolarHBondContact O-N 3.09Å; V189-S191 VanDerWaalsContact C-N 3.32Å; V189-S191 PolarHBondContact O-N 2.89Å; V189-Y192 WeakPolarHBondContact O-CB 3.48Å; V189-Y192 PolarHBondContact O-N 2.89Å; V189-W193 PolarHBondContact O-N 3.24Å
190	I	94.2	Very high	86.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-40.2	177	-62.7	-54.6	0	0	0	111.3	F140 V185 N186 G187 W193 F194 W242 F246 I248	F140-I190 HydrophobicContact CD2-CD1 4.07Å; V185-I190 HydrophobicContact CG1-CD1 3.53Å; V185-I190 HydrophobicContact CG1-CG1 3.29Å; N186-I190 PolarHBondContact O-N 3.28Å; G187-I190 PolarHBondContact O-N 3.06Å; I190-W193 PolarHBondContact O-N 3.22Å; I190-F194 PolarHBondContact O-N 3.33Å; I190-F194 VanDerWaalsContact O-N 3.08Å; I190-W242 VanDerWaalsContact CG2-NE1 3.26Å; I190-W242 PolarHBondContact O-NE1 3.37Å; I190-F246 HydrophobicContact CD1-CB 4.41Å; I190-F246 HydrophobicContact CD1-CD1 3.71Å; I190-F246 HydrophobicContact CD1-CD2 4.22Å; I190-F246 HydrophobicContact CD1-CE1 3.98Å; I190-F246 HydrophobicContact CD1-CE2 4.49Å; I190-F246 HydrophobicContact CD1-CG 3.86Å; I190-F246 HydrophobicContact CD1-CZ 4.38Å; I190-F246 HydrophobicContact CG1-CB 4.16Å; I190-F246 HydrophobicContact CG1-CD1 4.37Å; I190-F246 HydrophobicContact CG1-CG 4.13Å; I190-F246 HydrophobicContact CG2-CB 4.04Å; I190-F246 HydrophobicContact CG2-CD2 3.66Å; I190-F246 HydrophobicContact CG2-CE2 4.38Å; I190-F246 HydrophobicContact CG2-CG 3.95Å; I190-I248 HydrophobicContact CB-CG1 4.21Å; I190-I248 HydrophobicContact CG1-CD1 4.23Å; I190-I248 HydrophobicContact CG1-CG1 4.18Å; I190-I248 HydrophobicContact CG2-CG1 4.16Å
191	S	94.4	Very high	87.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-45.3	173.4	-60	0	0	0	0	112.5	G187 V189 W193 F194 C195 H243 V254	G187-S191 PolarHBondContact O-N 3.08Å; G187-S191 PolarHBondContact O-OG 3.38Å; V189-S191 VanDerWaalsContact C-N 3.32Å; V189-S191 PolarHBondContact O-N 2.89Å; S191-W193 VanDerWaalsContact C-N 3.34Å; S191-W193 PolarHBondContact O-N 2.04Å; S191-F194 WeakPolarHBondContact O-CB 3.32Å; S191-F194 PolarHBondContact O-N 3.41Å; S191-C195 PolarHBondContact O-N 2.77Å; S191-C195 VanDerWaalsContact O-N 3.11Å; S191-C195 PolarHBondContact O-SG 3.07Å; S191-H243 VanDerWaalsContact CA-NE2 3.33Å; S191-H243 WeakPolarHBondContact CA-NE2 3.3Å; S191-H243 PolarHBondContact N-NE2 2.88Å; S191-H243 PolarHBondContact OG-NE2 3.03Å; S191-V254 VanDerWaalsContact CB-O 3.26Å; S191-V254 WeakPolarHBondContact CB-O 3.46Å; S191-V254 PolarHBondContact OG-N 3.37Å
192	Y	91.4	Very high	88.5	Confident	5 Å²	5	46 Å²	46	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-48.8	176.8	172.4	-104.4	0	0	0	111.3	L144 M164 T172 A188 V189 F194 C195 E196 F259	L144-Y192 HydrophobicContact CD1-CD1 3.91Å; L144-Y192 HydrophobicContact CD1-CE1 3.56Å; L144-Y192 HydrophobicContact CD2-CD1 4.03Å; M164-Y192 HydrophobicContact SD-CE2 4.33Å; M164-Y192 PolarHBondContact SD-OH 3.03Å; M164-Y192 VanDerWaalsContact SD-OH 3.4Å; T172-Y192 HydrophobicContact CG2-CD1 4.41Å; T172-Y192 HydrophobicContact CG2-CD2 3.4Å; T172-Y192 HydrophobicContact CG2-CE2 3.76Å; T172-Y192 HydrophobicContact CG2-CG 3.76Å; A188-Y192 WeakPolarHBondContact O-CB 3.4Å; A188-Y192 PolarHBondContact O-N 2.97Å; V189-Y192 WeakPolarHBondContact O-CB 3.48Å; V189-Y192 PolarHBondContact O-N 2.89Å; Y192-F194 VanDerWaalsContact C-N 3.34Å; Y192-F194 PolarHBondContact O-N 3.5Å; Y192-C195 PolarHBondContact O-N 2.96Å; Y192-E196 HydrophobicContact CD1-CG 4.11Å; Y192-E196 HydrophobicContact CD2-CG 4.16Å; Y192-E196 HydrophobicContact CE1-CG 3.56Å; Y192-E196 HydrophobicContact CE2-CG 3.61Å; Y192-E196 WeakPolarHBondContact CE2-OE1 3.44Å; Y192-E196 HydrophobicContact CG-CG 4.39Å; Y192-E196 WeakPolarHBondContact O-CG 3.08Å; Y192-E196 PolarHBondContact O-N 3.05Å; Y192-E196 WeakPolarHBondContact OH-CG 3.41Å; Y192-E196 PolarHBondContact OH-OE1 3.06Å; Y192-F259 HydrophobicContact CD2-CB 4.48Å; Y192-F259 AromaticContact CD2-CD1 3.9Å; Y192-F259 HydrophobicContact CD2-CD1 3.9Å; Y192-F259 HydrophobicContact CD2-CE1 4.24Å; Y192-F259 HydrophobicContact CD2-CG 4.08Å
193	W	92.3	Very high	89.6	Confident	13 Å²	13	40.9 Å²	40.9	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-36.1	-179.7	-79.6	110.6	0	0	0	113.6	F140 L143 L161 V189 I190 S191 C195 E196 L197	F140-W193 VanDerWaalsContact CB-CD1 3.43Å; F140-W193 HydrophobicContact CB-CG 4.2Å; F140-W193 HydrophobicContact CD1-CB 4.22Å; F140-W193 AromaticContact CD1-CD1 3.55Å; F140-W193 AromaticContact CD1-CD2 3.43Å; F140-W193 HydrophobicContact CD1-CD2 3.43Å; F140-W193 VanDerWaalsContact CD1-CD2 3.43Å; F140-W193 AromaticContact CD1-CE2 3.48Å; F140-W193 VanDerWaalsContact CD1-CE2 3.48Å; F140-W193 HydrophobicContact CD1-CE3 4.07Å; F140-W193 AromaticContact CD1-CG 3.48Å; F140-W193 HydrophobicContact CD1-CG 3.48Å; F140-W193 VanDerWaalsContact CD1-CG 3.48Å; F140-W193 HydrophobicContact CD1-CZ2 4.11Å; F140-W193 AromaticContact CD1-NE1 3.54Å; F140-W193 HydrophobicContact CE1-CB 4.24Å; F140-W193 AromaticContact CE1-CD2 3.76Å; F140-W193 HydrophobicContact CE1-CD2 3.76Å; F140-W193 AromaticContact CE1-CE3 3.97Å; F140-W193 HydrophobicContact CE1-CE3 3.97Å; F140-W193 AromaticContact CE1-CG 3.89Å; F140-W193 HydrophobicContact CE1-CG 3.89Å; F140-W193 HydrophobicContact CG-CB 4.44Å; F140-W193 AromaticContact CG-CD1 3.56Å; F140-W193 HydrophobicContact CG-CD2 4.24Å; F140-W193 AromaticContact CG-CG 3.84Å; F140-W193 HydrophobicContact CG-CG 3.84Å; F140-W193 AromaticContact CG-NE1 3.78Å; F140-W193 PolarHBondContact O-NE1 3.37Å; L143-W193 HydrophobicContact CB-CZ2 4.04Å; L143-W193 HydrophobicContact CD2-CH2 3.34Å; L143-W193 HydrophobicContact CD2-CZ2 3.52Å; L143-W193 HydrophobicContact CD2-CZ3 4.37Å; L143-W193 HydrophobicContact CG-CH2 3.85Å; L143-W193 HydrophobicContact CG-CZ2 3.69Å; L161-W193 HydrophobicContact CD1-CH2 3.45Å; L161-W193 VanDerWaalsContact CD1-CH2 3.45Å; L161-W193 HydrophobicContact CD1-CZ2 4.2Å; L161-W193 HydrophobicContact CD1-CZ3 4.34Å; L161-W193 HydrophobicContact CD2-CH2 3.66Å; L161-W193 HydrophobicContact CD2-CZ3 3.8Å; L161-W193 HydrophobicContact CG-CH2 4.16Å; V189-W193 PolarHBondContact O-N 3.24Å; I190-W193 PolarHBondContact O-N 3.22Å; S191-W193 VanDerWaalsContact C-N 3.34Å; S191-W193 PolarHBondContact O-N 2.04Å; W193-C195 VanDerWaalsContact C-N 3.34Å; W193-C195 PolarHBondContact O-N 3.41Å; W193-E196 HydrophobicContact CE3-CB 4.4Å; W193-E196 PolarHBondContact O-N 2.93Å; W193-L197 WeakPolarHBondContact O-CB 3.35Å; W193-L197 WeakPolarHBondContact O-CG 3.45Å; W193-L197 PolarHBondContact O-N 2.66Å
194	F	94.8	Very high	90.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-50.1	169.3	180	-86.6	0	0	0	111.1	I190 S191 Y192 E196 L197 D198 L205 F239 W242	I190-F194 PolarHBondContact O-N 3.33Å; I190-F194 VanDerWaalsContact O-N 3.08Å; S191-F194 WeakPolarHBondContact O-CB 3.32Å; S191-F194 PolarHBondContact O-N 3.41Å; Y192-F194 VanDerWaalsContact C-N 3.34Å; Y192-F194 PolarHBondContact O-N 3.5Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 PolarHBondContact O-N 2.96Å; F194-L197 PolarHBondContact O-N 3.49Å; F194-D198 HydrophobicContact CE1-CB 4.22Å; F194-D198 WeakPolarHBondContact O-CB 3.38Å; F194-D198 PolarHBondContact O-N 2.95Å; F194-L205 HydrophobicContact CD2-CD1 3.9Å; F194-L205 HydrophobicContact CD2-CD2 4.23Å; F194-L205 HydrophobicContact CD2-CG 3.87Å; F194-L205 HydrophobicContact CE2-CD1 4.19Å; F194-L205 HydrophobicContact CE2-CD2 4.17Å; F194-L205 HydrophobicContact CE2-CG 3.69Å; F194-L205 HydrophobicContact CZ-CG 4.44Å; F194-F239 AromaticContact CD1-CD2 3.58Å; F194-F239 HydrophobicContact CD1-CD2 3.58Å; F194-F239 HydrophobicContact CD1-CE2 4.28Å; F194-F239 HydrophobicContact CE1-CB 4.06Å; F194-F239 AromaticContact CE1-CD2 3.71Å; F194-F239 HydrophobicContact CE1-CD2 3.71Å; F194-F239 HydrophobicContact CE1-CG 4.39Å; F194-F239 VanDerWaalsContact CE2-CA 3.47Å; F194-F239 HydrophobicContact CE2-CB 4.27Å; F194-F239 HydrophobicContact CG-CD2 4.08Å; F194-F239 HydrophobicContact CZ-CB 3.84Å; F194-F239 HydrophobicContact CZ-CD2 4.29Å; F194-W242 HydrophobicContact CB-CG 4.24Å; F194-W242 HydrophobicContact CD2-CB 3.65Å; F194-W242 AromaticContact CD2-CD1 3.93Å; F194-W242 HydrophobicContact CD2-CD2 4.29Å; F194-W242 AromaticContact CD2-CG 3.68Å; F194-W242 HydrophobicContact CD2-CG 3.68Å; F194-W242 HydrophobicContact CE2-CB 4.15Å; F194-W242 HydrophobicContact CG-CG 4.42Å
195	C	92.6	Very high	91	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-27.5	-175.7	-60.2	0	0	0	0	113.8	S191 Y192 W193 C256 F259 K260	S191-C195 PolarHBondContact O-N 2.77Å; S191-C195 VanDerWaalsContact O-N 3.11Å; S191-C195 PolarHBondContact O-SG 3.07Å; Y192-C195 PolarHBondContact O-N 2.96Å; W193-C195 VanDerWaalsContact C-N 3.34Å; W193-C195 PolarHBondContact O-N 3.41Å; C195-C256 VanDerWaalsContact CA-SG 3.56Å; C195-C256 HydrophobicContact CB-CB 3.75Å; C195-C256 WeakPolarHBondContact CB-SG 2.98Å; C195-C256 WeakPolarHBondContact SG-CA 3.32Å; C195-C256 WeakPolarHBondContact SG-CB 3.24Å; C195-C256 CovalentContact SG-SG 2.04Å; C195-C256 PolarHBondContact SG-SG 3.25Å; C195-F259 HydrophobicContact CB-CD2 4.16Å; C195-K260 WeakPolarHBondContact O-CE 3.3Å; C195-K260 PolarHBondContact O-NZ 3.34Å; C195-K260 VanDerWaalsContact O-NZ 3.07Å
196	E	88.8	Confident	91.2	Very high	38 Å²	38	30.6 Å²	30.6	18%	0.178	15%	0.15	C	C	.	.	H	α-helix	trans	-73.8	-39.3	172.3	-76.7	-60.9	143.1	0	0	112.7	Y192 W193 F194 R199	Y192-E196 HydrophobicContact CD1-CG 4.11Å; Y192-E196 HydrophobicContact CD2-CG 4.16Å; Y192-E196 HydrophobicContact CE1-CG 3.56Å; Y192-E196 HydrophobicContact CE2-CG 3.61Å; Y192-E196 WeakPolarHBondContact CE2-OE1 3.44Å; Y192-E196 HydrophobicContact CG-CG 4.39Å; Y192-E196 WeakPolarHBondContact O-CG 3.08Å; Y192-E196 PolarHBondContact O-N 3.05Å; Y192-E196 WeakPolarHBondContact OH-CG 3.41Å; Y192-E196 PolarHBondContact OH-OE1 3.06Å; W193-E196 HydrophobicContact CE3-CB 4.4Å; W193-E196 PolarHBondContact O-N 2.93Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 PolarHBondContact O-N 2.96Å; E196-R199 VanDerWaalsContact O-CG 3.26Å; E196-R199 WeakPolarHBondContact O-CG 3.09Å
197	L	91.4	Very high	91.1	Very high	14 Å²	14	34.2 Å²	34.2	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-72.6	-39.8	176.7	-67.4	170.4	0	0	0	111	W193 F194 R199 L205 D209 L213 W242	W193-L197 WeakPolarHBondContact O-CB 3.35Å; W193-L197 WeakPolarHBondContact O-CG 3.45Å; W193-L197 PolarHBondContact O-N 2.66Å; F194-L197 PolarHBondContact O-N 3.49Å; L197-R199 PolarHBondContact O-N 2.03Å; L197-L205 HydrophobicContact CB-CD1 4.21Å; L197-L205 HydrophobicContact CB-CD2 3.56Å; L197-L205 HydrophobicContact CD1-CD1 4.06Å; L197-D209 WeakPolarHBondContact O-CB 3.35Å; L197-L213 HydrophobicContact CD2-CB 4.49Å; L197-W242 HydrophobicContact CD1-CH2 3.88Å; L197-W242 HydrophobicContact CD1-CZ2 4.24Å; L197-W242 HydrophobicContact CD1-CZ3 4.46Å
198	D	91.6	Very high	90.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.174	C	C	.	.			trans	-74.4	66	174.4	-173.5	16.2	0	0	0	111.8	F194 R200 N201 R202 G203 L205 K260	F194-D198 HydrophobicContact CE1-CB 4.22Å; F194-D198 WeakPolarHBondContact O-CB 3.38Å; F194-D198 PolarHBondContact O-N 2.95Å; D198-R200 PolarHBondContact O-N 3.38Å; D198-N201 PolarHBondContact O-N 3.16Å; D198-N201 PolarHBondContact OD1-N 3.27Å; D198-N201 VanDerWaalsContact OD1-N 3.16Å; D198-N201 WeakPolarHBondContact OD2-CA 3.35Å; D198-R202 VanDerWaalsContact CG-N 3.35Å; D198-R202 PolarHBondContact OD1-N 3.07Å; D198-R202 PolarHBondContact OD2-N 3Å; D198-R202 VanDerWaalsContact OD2-N 3.09Å; D198-G203 WeakPolarHBondContact OD2-CA 3.31Å; D198-G203 PolarHBondContact OD2-N 3.09Å; D198-L205 HydrophobicContact CB-CD2 3.79Å; D198-K260 PolarHBondContact O-NZ 3.42Å
199	R	84.1	Confident	90.6	Very high	82 Å²	82	36 Å²	36	31%	0.309	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.5	-175.3	-69.4	-175.2	174.1	-171.9	6.1	112.9	E196 L197 N201 Y212	E196-R199 VanDerWaalsContact O-CG 3.26Å; E196-R199 WeakPolarHBondContact O-CG 3.09Å; L197-R199 PolarHBondContact O-N 2.03Å; R199-N201 VanDerWaalsContact C-N 3.35Å; R199-Y212 VanDerWaalsContact CZ-CE2 3.44Å; R199-Y212 PolarHBondContact NH1-OH 3.36Å; R199-Y212 VanDerWaalsContact NH1-OH 3.1Å
200	R	86.7	Confident	90.6	Very high	135 Å²	135	36.1 Å²	36.1	51%	0.509	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3	-178.8	-64.7	-174.1	-176.4	147.8	-2.6	112.7	N107 D198 R202 D208	N107-R200 PolarHBondContact OD1-NH2 3.06Å; D198-R200 PolarHBondContact O-N 3.38Å; R200-R202 VanDerWaalsContact C-N 3.28Å; R200-R202 HydrophobicContact CB-CG 3.99Å; R200-R202 PolarHBondContact O-N 2.97Å; R200-D208 IonicContact CZ-OD2 3.13Å; R200-D208 VanDerWaalsContact CZ-OD2 3.3Å; R200-D208 IonicContact NH1-OD2 2.65Å; R200-D208 PolarHBondContact NH1-OD2 3.46Å; R200-D208 IonicContact NH2-OD2 3.25Å; R200-D208 PolarHBondContact NH2-OD2 3.16Å
201	N	90.2	Very high	90.2	Very high	108 Å²	108	36.4 Å²	36.4	58%	0.578	18%	0.177	S	C	*	.			trans	54.1	43.2	-178.2	-57.4	-53.5	0	0	0	112.4	D198 R199 G203 K260	D198-N201 PolarHBondContact O-N 3.16Å; D198-N201 PolarHBondContact OD1-N 3.27Å; D198-N201 VanDerWaalsContact OD1-N 3.16Å; D198-N201 WeakPolarHBondContact OD2-CA 3.35Å; R199-N201 VanDerWaalsContact C-N 3.35Å; N201-G203 VanDerWaalsContact C-N 3.28Å; N201-K260 PolarHBondContact OD1-NZ 2.82Å
202	R	91	Very high	89.7	Confident	91 Å²	91	41.5 Å²	41.5	34%	0.343	20%	0.197	S	C	.	.			trans	-77.8	-14.3	179.1	-70.6	-174.9	-92.7	-161.3	-4.3	112.4	D198 R200 S204 D208 D209	D198-R202 VanDerWaalsContact CG-N 3.35Å; D198-R202 PolarHBondContact OD1-N 3.07Å; D198-R202 PolarHBondContact OD2-N 3Å; D198-R202 VanDerWaalsContact OD2-N 3.09Å; R200-R202 VanDerWaalsContact C-N 3.28Å; R200-R202 HydrophobicContact CB-CG 3.99Å; R200-R202 PolarHBondContact O-N 2.97Å; R202-S204 PolarHBondContact O-N 3.43Å; R202-D208 IonicContact CZ-OD1 2.66Å; R202-D208 IonicContact CZ-OD2 2.76Å; R202-D208 IonicContact NH1-OD1 3.82Å; R202-D208 IonicContact NH1-OD2 2.82Å; R202-D208 VanDerWaalsContact NH2-CG 3.3Å; R202-D208 IonicContact NH2-OD1 2.77Å; R202-D208 PolarHBondContact NH2-OD1 3.12Å; R202-D208 IonicContact NH2-OD2 3.98Å; R202-D208 PolarHBondContact NH2-OD2 2.91Å; R202-D209 IonicContact CZ-OD1 3Å; R202-D209 IonicContact CZ-OD2 2.97Å; R202-D209 IonicContact NE-OD2 3.68Å; R202-D209 IonicContact NH2-OD1 3.44Å; R202-D209 PolarHBondContact NH2-OD1 3.06Å; R202-D209 IonicContact NH2-OD2 2.7Å; R202-D209 PolarHBondContact NH2-OD2 3.36Å
203	G	92.8	Very high	89.7	Confident	45 Å²	45	41.5 Å²	41.5	46%	0.464	20%	0.197	S	C	.	.	S	Bend	trans	71.9	8.4	-170.9	0	0	0	0	0	113.4	D198 N201	D198-G203 WeakPolarHBondContact OD2-CA 3.31Å; D198-G203 PolarHBondContact OD2-N 3.09Å; N201-G203 VanDerWaalsContact C-N 3.28Å
204	S	94.5	Very high	89.7	Confident	26 Å²	26	40.9 Å²	40.9	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.5	177.8	56.3	0	0	0	0	110.2	R202 Q206 I237	R202-S204 PolarHBondContact O-N 3.43Å; S204-Q206 PolarHBondContact OG-NE2 3.09Å; S204-Q206 VanDerWaalsContact OG-NE2 3.13Å; S204-I237 CarbonylContact C-O 3.52Å; S204-I237 VanDerWaalsContact CA-O 3.26Å; S204-I237 WeakPolarHBondContact CA-O 3.36Å
205	L	93.8	Very high	89.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.1	173.7	-53.1	-179.9	0	0	0	109.6	F194 L197 D198 D209 L210 G236 I237 W242	F194-L205 HydrophobicContact CD2-CD1 3.9Å; F194-L205 HydrophobicContact CD2-CD2 4.23Å; F194-L205 HydrophobicContact CD2-CG 3.87Å; F194-L205 HydrophobicContact CE2-CD1 4.19Å; F194-L205 HydrophobicContact CE2-CD2 4.17Å; F194-L205 HydrophobicContact CE2-CG 3.69Å; F194-L205 HydrophobicContact CZ-CG 4.44Å; L197-L205 HydrophobicContact CB-CD1 4.21Å; L197-L205 HydrophobicContact CB-CD2 3.56Å; L197-L205 HydrophobicContact CD1-CD1 4.06Å; D198-L205 HydrophobicContact CB-CD2 3.79Å; L205-D209 HydrophobicContact CB-CB 4.42Å; L205-D209 HydrophobicContact CD2-CB 4.28Å; L205-L210 HydrophobicContact CB-CD2 4.38Å; L205-L210 HydrophobicContact CB-CG 4.4Å; L205-L210 HydrophobicContact CD1-CD2 4.08Å; L205-G236 CarbonylContact O-C 3.58Å; L205-G236 VanDerWaalsContact O-CA 3.27Å; L205-G236 WeakPolarHBondContact O-CA 3.17Å; L205-I237 HydrophobicContact CB-CB 4.25Å; L205-I237 PolarHBondContact N-O 2.94Å; L205-I237 PolarHBondContact O-N 2.97Å; L205-W242 HydrophobicContact CD1-CD2 4.12Å; L205-W242 HydrophobicContact CD1-CE3 3.63Å; L205-W242 HydrophobicContact CD1-CH2 4.49Å; L205-W242 HydrophobicContact CD1-CZ3 3.84Å
206	Q	89.6	Confident	89.3	Confident	51 Å²	51	46.4 Å²	46.4	24%	0.238	22%	0.222	C	C	.	.			trans	-97.8	172.3	172.7	-58.2	-58.5	-39.1	0	0	110.3	S204 D208 D209 L210 G235	S204-Q206 PolarHBondContact OG-NE2 3.09Å; S204-Q206 VanDerWaalsContact OG-NE2 3.13Å; Q206-D208 WeakPolarHBondContact CB-OD1 3.4Å; Q206-D208 PolarHBondContact O-N 2.94Å; Q206-D209 WeakPolarHBondContact CB-OD2 3Å; Q206-D209 PolarHBondContact N-OD2 2.7Å; Q206-D209 WeakPolarHBondContact O-CB 2.97Å; Q206-D209 PolarHBondContact O-N 2.8Å; Q206-L210 PolarHBondContact O-N 2.83Å; Q206-G235 PolarHBondContact NE2-O 3.12Å; Q206-G235 PolarHBondContact OE1-O 2.04Å
207	Q	86.1	Confident	89.5	Confident	96 Å²	96	45.2 Å²	45.2	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-54.2	-40	-180	-176.5	64.9	25.8	0	0	112.4	L210 N211 Y214	Q207-L210 PolarHBondContact O-N 3.26Å; Q207-N211 PolarHBondContact O-N 3.2Å; Q207-N211 PolarHBondContact O-OD1 2.92Å; Q207-Y214 VanDerWaalsContact NE2-CE2 3.34Å
208	D	82.4	Confident	89.6	Confident	32 Å²	32	45 Å²	45	17%	0.171	22%	0.216	C	C	.	.	H	α-helix	trans	-70.9	-30.1	179.7	62	-31.7	0	0	0	113.4	R200 R202 Q206 L210 N211	R200-D208 IonicContact CZ-OD2 3.13Å; R200-D208 VanDerWaalsContact CZ-OD2 3.3Å; R200-D208 IonicContact NH1-OD2 2.65Å; R200-D208 PolarHBondContact NH1-OD2 3.46Å; R200-D208 IonicContact NH2-OD2 3.25Å; R200-D208 PolarHBondContact NH2-OD2 3.16Å; R202-D208 IonicContact CZ-OD1 2.66Å; R202-D208 IonicContact CZ-OD2 2.76Å; R202-D208 IonicContact NH1-OD1 3.82Å; R202-D208 IonicContact NH1-OD2 2.82Å; R202-D208 VanDerWaalsContact NH2-CG 3.3Å; R202-D208 IonicContact NH2-OD1 2.77Å; R202-D208 PolarHBondContact NH2-OD1 3.12Å; R202-D208 IonicContact NH2-OD2 3.98Å; R202-D208 PolarHBondContact NH2-OD2 2.91Å; Q206-D208 WeakPolarHBondContact CB-OD1 3.4Å; Q206-D208 PolarHBondContact O-N 2.94Å; D208-L210 VanDerWaalsContact C-N 3.28Å; D208-L210 PolarHBondContact O-N 2.89Å; D208-N211 PolarHBondContact O-N 2.9Å
209	D	88.3	Confident	89.5	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-32.6	173.8	-59.4	-45.2	0	0	0	111.1	L197 R202 L205 Q206	L197-D209 WeakPolarHBondContact O-CB 3.35Å; R202-D209 IonicContact CZ-OD1 3Å; R202-D209 IonicContact CZ-OD2 2.97Å; R202-D209 IonicContact NE-OD2 3.68Å; R202-D209 IonicContact NH2-OD1 3.44Å; R202-D209 PolarHBondContact NH2-OD1 3.06Å; R202-D209 IonicContact NH2-OD2 2.7Å; R202-D209 PolarHBondContact NH2-OD2 3.36Å; L205-D209 HydrophobicContact CB-CB 4.42Å; L205-D209 HydrophobicContact CD2-CB 4.28Å; Q206-D209 WeakPolarHBondContact CB-OD2 3Å; Q206-D209 PolarHBondContact N-OD2 2.7Å; Q206-D209 WeakPolarHBondContact O-CB 2.97Å; Q206-D209 PolarHBondContact O-N 2.8Å
210	L	90.7	Very high	89.9	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-83.8	-14.5	-178.7	-64.7	165.7	0	0	0	113.9	L205 Q206 Q207 D208 Y212 L213 Y214 I228 I237 W242	L205-L210 HydrophobicContact CB-CD2 4.38Å; L205-L210 HydrophobicContact CB-CG 4.4Å; L205-L210 HydrophobicContact CD1-CD2 4.08Å; Q206-L210 PolarHBondContact O-N 2.83Å; Q207-L210 PolarHBondContact O-N 3.26Å; D208-L210 VanDerWaalsContact C-N 3.28Å; D208-L210 PolarHBondContact O-N 2.89Å; L210-Y212 VanDerWaalsContact C-N 3.25Å; L210-Y212 PolarHBondContact O-N 3.46Å; L210-L213 WeakPolarHBondContact O-CA 3.37Å; L210-L213 WeakPolarHBondContact O-CB 3.34Å; L210-L213 PolarHBondContact O-N 3.2Å; L210-Y214 HydrophobicContact CB-CD2 4.22Å; L210-Y214 HydrophobicContact CB-CE2 3.74Å; L210-Y214 WeakPolarHBondContact O-CD2 3.33Å; L210-Y214 PolarHBondContact O-N 2.89Å; L210-I228 HydrophobicContact CD1-CG2 3.57Å; L210-I228 HydrophobicContact CD2-CD1 4.36Å; L210-I237 HydrophobicContact CD1-CD1 4.23Å; L210-W242 HydrophobicContact CD2-CZ3 4.49Å
211	N	87.1	Confident	90.3	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-34	-176.7	-77.4	-20.6	0	0	0	113	A109 Q207 D208 Y214 Q215	A109-N211 HydrophobicContact CB-CB 4.18Å; A109-N211 WeakPolarHBondContact CB-ND2 3.33Å; Q207-N211 PolarHBondContact O-N 3.2Å; Q207-N211 PolarHBondContact O-OD1 2.92Å; D208-N211 PolarHBondContact O-N 2.9Å; N211-Y214 PolarHBondContact O-N 3.35Å; N211-Q215 WeakPolarHBondContact O-CB 3.44Å; N211-Q215 VanDerWaalsContact O-CG 3.26Å; N211-Q215 WeakPolarHBondContact O-CG 3.22Å; N211-Q215 PolarHBondContact O-N 3.4Å
212	Y	84.1	Confident	90.4	Very high	106 Å²	106	39.8 Å²	39.8	42%	0.416	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-40.9	173.4	-71.6	-76.8	0	0	0	112.3	R199 L210 Y214 Q215 L216	R199-Y212 VanDerWaalsContact CZ-CE2 3.44Å; R199-Y212 PolarHBondContact NH1-OH 3.36Å; R199-Y212 VanDerWaalsContact NH1-OH 3.1Å; L210-Y212 VanDerWaalsContact C-N 3.25Å; L210-Y212 PolarHBondContact O-N 3.46Å; Y212-Y214 VanDerWaalsContact C-N 3.33Å; Y212-Q215 PolarHBondContact O-N 2.92Å; Y212-L216 VanDerWaalsContact O-CG 3.3Å; Y212-L216 WeakPolarHBondContact O-CG 3.48Å; Y212-L216 PolarHBondContact O-N 3.43Å
213	L	90.7	Very high	90.7	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-41.9	176.3	-175.9	62.6	0	0	0	110.6	W139 F140 L197 L210 L216 L217 L224 I228 W242	W139-L213 HydrophobicContact CH2-CD1 3.92Å; W139-L213 HydrophobicContact CZ3-CD1 3.57Å; F140-L213 HydrophobicContact CE1-CD1 3.83Å; F140-L213 HydrophobicContact CZ-CD1 3.77Å; F140-L213 HydrophobicContact CZ-CD2 4.1Å; L197-L213 HydrophobicContact CD2-CB 4.49Å; L210-L213 WeakPolarHBondContact O-CA 3.37Å; L210-L213 WeakPolarHBondContact O-CB 3.34Å; L210-L213 PolarHBondContact O-N 3.2Å; L213-L216 PolarHBondContact O-N 2.67Å; L213-L217 HydrophobicContact CD1-CD1 3.56Å; L213-L217 HydrophobicContact CD1-CG 4.35Å; L213-L217 HydrophobicContact CG-CD1 4.14Å; L213-L217 WeakPolarHBondContact O-CB 3.36Å; L213-L217 PolarHBondContact O-N 3.09Å; L213-L217 VanDerWaalsContact O-N 3.14Å; L213-L224 HydrophobicContact CD2-CD1 4.08Å; L213-L224 HydrophobicContact CG-CD1 4.43Å; L213-L224 HydrophobicContact CG-CD2 4.16Å; L213-I228 HydrophobicContact CD2-CD1 4.35Å; L213-W242 HydrophobicContact CD2-CH2 4.42Å
214	Y	92.4	Very high	90.8	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-43.8	175.2	-65.2	-36.7	0	0	0	112.8	K111 Q207 L210 N211 Y212 L216 L217 L218 L224 I228	K111-Y214 HydrophobicContact CG-CD2 4.08Å; K111-Y214 HydrophobicContact CG-CG 4.26Å; K111-Y214 CarbonylContact O-C 3.5Å; K111-Y214 WeakPolarHBondContact O-CB 3.43Å; Q207-Y214 VanDerWaalsContact NE2-CE2 3.34Å; L210-Y214 HydrophobicContact CB-CD2 4.22Å; L210-Y214 HydrophobicContact CB-CE2 3.74Å; L210-Y214 WeakPolarHBondContact O-CD2 3.33Å; L210-Y214 PolarHBondContact O-N 2.89Å; N211-Y214 PolarHBondContact O-N 3.35Å; Y212-Y214 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 2.82Å; Y214-L217 PolarHBondContact O-N 2.75Å; Y214-L218 HydrophobicContact CD1-CD1 3.73Å; Y214-L218 HydrophobicContact CD1-CG 4.28Å; Y214-L218 HydrophobicContact CG-CD1 4.01Å; Y214-L218 WeakPolarHBondContact O-CA 3.28Å; Y214-L218 VanDerWaalsContact O-CB 3.25Å; Y214-L218 WeakPolarHBondContact O-CB 3.47Å; Y214-L218 PolarHBondContact O-N 3.04Å; Y214-L224 HydrophobicContact CD1-CD2 3.68Å; Y214-L224 HydrophobicContact CD1-CG 4.15Å; Y214-L224 HydrophobicContact CE1-CD2 4.12Å; Y214-L224 HydrophobicContact CE1-CG 4.08Å; Y214-I228 HydrophobicContact CE1-CG1 4.22Å; Y214-I228 VanDerWaalsContact OH-CG2 3.27Å; Y214-I228 WeakPolarHBondContact OH-CG2 3.5Å
215	Q	89.7	Confident	90.7	Very high	53 Å²	53	34.1 Å²	34.1	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-28.9	178.3	-73.9	171.3	31	0	0	113	I110 K111 N211 Y212	I110-Q215 HydrophobicContact CG2-CG 4.43Å; I110-Q215 VanDerWaalsContact O-CG 3.29Å; I110-Q215 WeakPolarHBondContact O-CG 3.01Å; I110-Q215 PolarHBondContact O-NE2 3.01Å; K111-Q215 WeakPolarHBondContact O-CA 3.02Å; K111-Q215 PolarHBondContact O-N 2.66Å; K111-Q215 VanDerWaalsContact O-N 3.12Å; N211-Q215 WeakPolarHBondContact O-CB 3.44Å; N211-Q215 VanDerWaalsContact O-CG 3.26Å; N211-Q215 WeakPolarHBondContact O-CG 3.22Å; N211-Q215 PolarHBondContact O-N 3.4Å; Y212-Q215 PolarHBondContact O-N 2.92Å
216	L	88.9	Confident	90.7	Very high	66 Å²	66	35.3 Å²	35.3	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-81.2	-33.2	179.1	-69.8	173.5	0	0	0	113.3	W139 L160 L161 Y212 L213 Y214	W139-L216 HydrophobicContact CH2-CB 4.36Å; W139-L216 HydrophobicContact CH2-CD1 4.16Å; W139-L216 HydrophobicContact CZ2-CB 4.47Å; L160-L216 HydrophobicContact CB-CD2 4.28Å; L160-L216 HydrophobicContact CD1-CD2 3.58Å; L160-L216 HydrophobicContact CG-CD2 4.44Å; L161-L216 HydrophobicContact CD2-CD1 4.43Å; Y212-L216 VanDerWaalsContact O-CG 3.3Å; Y212-L216 WeakPolarHBondContact O-CG 3.48Å; Y212-L216 PolarHBondContact O-N 3.43Å; L213-L216 PolarHBondContact O-N 2.67Å; Y214-L216 PolarHBondContact O-N 2.82Å
217	L	93.1	Very high	91	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	18%	0.18	C	C	.	.	H	α-helix	trans	-114.1	-23	-167.2	-70.8	179	0	0	0	114.1	L136 W139 L213 Y214 S220 T221 L224	L136-L217 HydrophobicContact CD1-CD1 3.72Å; W139-L217 HydrophobicContact CD2-CD2 4.17Å; W139-L217 HydrophobicContact CE3-CD1 4.16Å; W139-L217 HydrophobicContact CH2-CD1 3.98Å; W139-L217 HydrophobicContact CH2-CD2 4.04Å; W139-L217 HydrophobicContact CH2-CG 3.94Å; W139-L217 HydrophobicContact CZ2-CD1 4.44Å; W139-L217 HydrophobicContact CZ2-CD2 3.67Å; W139-L217 HydrophobicContact CZ2-CG 4.06Å; W139-L217 HydrophobicContact CZ3-CD1 3.83Å; W139-L217 HydrophobicContact CZ3-CD2 4.45Å; W139-L217 HydrophobicContact CZ3-CG 4.3Å; L213-L217 HydrophobicContact CD1-CD1 3.56Å; L213-L217 HydrophobicContact CD1-CG 4.35Å; L213-L217 HydrophobicContact CG-CD1 4.14Å; L213-L217 WeakPolarHBondContact O-CB 3.36Å; L213-L217 PolarHBondContact O-N 3.09Å; L213-L217 VanDerWaalsContact O-N 3.14Å; Y214-L217 PolarHBondContact O-N 2.75Å; L217-S220 CarbonylContact O-C 3.52Å; L217-S220 PolarHBondContact O-N 2.84Å; L217-T221 WeakPolarHBondContact O-CB 3.21Å; L217-T221 PolarHBondContact O-N 3.36Å; L217-T221 PolarHBondContact O-OG1 2.94Å; L217-L224 HydrophobicContact CB-CD2 3.57Å; L217-L224 HydrophobicContact CD1-CD1 4.29Å; L217-L224 HydrophobicContact CD1-CD2 3.75Å; L217-L224 HydrophobicContact CG-CD2 4.28Å
218	L	93.2	Very high	91.4	Very high	10 Å²	10	29 Å²	29	5%	0.052	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	144.9	175.9	-60.5	-177.5	0	0	0	110.7	K111 Y112 L119 Y214 T221 L224	K111-L218 HydrophobicContact CG-CD1 4.46Å; Y112-L218 HydrophobicContact CD1-CB 3.91Å; Y112-L218 HydrophobicContact CD1-CD1 4.1Å; Y112-L218 HydrophobicContact CG-CB 4.18Å; L119-L218 HydrophobicContact CD1-CB 4.05Å; L119-L218 HydrophobicContact CD1-CD1 4.01Å; L119-L218 HydrophobicContact CD1-CD2 4.01Å; L119-L218 HydrophobicContact CD1-CG 4.25Å; Y214-L218 HydrophobicContact CD1-CD1 3.73Å; Y214-L218 HydrophobicContact CD1-CG 4.28Å; Y214-L218 HydrophobicContact CG-CD1 4.01Å; Y214-L218 WeakPolarHBondContact O-CA 3.28Å; Y214-L218 VanDerWaalsContact O-CB 3.25Å; Y214-L218 WeakPolarHBondContact O-CB 3.47Å; Y214-L218 PolarHBondContact O-N 3.04Å; L218-T221 WeakPolarHBondContact CD2-O 3.38Å; L218-L224 HydrophobicContact CD2-CB 4.23Å; L218-L224 HydrophobicContact CD2-CD2 4.43Å; L218-L224 HydrophobicContact CG-CD2 4.37Å
219	P	90.9	Very high	91.8	Very high	42 Å²	42	31.2 Å²	31.2	27%	0.273	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.8	-0.1	3.7	35.1	-36.6	0	0	0	114.7	L119 T221 P222	L119-P219 HydrophobicContact CD1-CB 4.03Å; L119-P219 HydrophobicContact CD2-CB 3.81Å; P219-T221 PolarHBondContact O-N 3.4Å; P219-P222 WeakPolarHBondContact O-CD 3.4Å
220	S	91.9	Very high	92	Very high	110 Å²	110	37.4 Å²	37.4	77%	0.769	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.3	-172.3	-56.5	0	0	0	0	114.8	L217 P222	L217-S220 CarbonylContact O-C 3.52Å; L217-S220 PolarHBondContact O-N 2.84Å; S220-P222 VanDerWaalsContact C-CD 3.46Å; S220-P222 WeakPolarHBondContact O-CD 3.5Å
221	T	95	Very high	92.1	Very high	43 Å²	43	37.5 Å²	37.5	26%	0.264	20%	0.195	S	C	.	.			trans	-120.8	69.2	-179.5	-47.5	0	0	0	0	109.9	F132 L217 L218 P219 C223 L224	F132-T221 HydrophobicContact CE2-CG2 3.68Å; F132-T221 HydrophobicContact CZ-CG2 3.82Å; L217-T221 WeakPolarHBondContact O-CB 3.21Å; L217-T221 PolarHBondContact O-N 3.36Å; L217-T221 PolarHBondContact O-OG1 2.94Å; L218-T221 WeakPolarHBondContact CD2-O 3.38Å; P219-T221 PolarHBondContact O-N 3.4Å; T221-C223 PolarHBondContact O-N 2.82Å; T221-C223 VanDerWaalsContact O-N 3.16Å; T221-L224 HydrophobicContact CG2-CB 4.23Å; T221-L224 WeakPolarHBondContact O-CB 3.33Å; T221-L224 PolarHBondContact O-N 3.41Å
222	P	93.1	Very high	92.2	Very high	24 Å²	24	39.7 Å²	39.7	16%	0.156	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-34.2	-173.7	21.5	-32.3	0	0	0	113.1	L119 L122 C123 P219 S220 L224 E225	L119-P222 HydrophobicContact CB-CB 4.3Å; L119-P222 WeakPolarHBondContact O-CB 3.41Å; L122-P222 HydrophobicContact CB-CB 3.99Å; L122-P222 HydrophobicContact CB-CG 4.16Å; C123-P222 HydrophobicContact CB-CB 4.36Å; P219-P222 WeakPolarHBondContact O-CD 3.4Å; S220-P222 VanDerWaalsContact C-CD 3.46Å; S220-P222 WeakPolarHBondContact O-CD 3.5Å; P222-L224 PolarHBondContact O-N 3.33Å; P222-L224 VanDerWaalsContact O-N 3.09Å; P222-E225 PolarHBondContact O-N 2.87Å
223	C	96.3	Very high	92	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.054	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-11.4	177.6	-66.3	0	0	0	0	114.9	C123 W125 F132 T221 E225 V226 F227	C123-C223 WeakPolarHBondContact CA-SG 3.42Å; C123-C223 HydrophobicContact CB-CB 3.97Å; C123-C223 WeakPolarHBondContact CB-SG 3.39Å; C123-C223 WeakPolarHBondContact SG-CA 3.15Å; C123-C223 WeakPolarHBondContact SG-CB 3.42Å; C123-C223 CovalentContact SG-SG 2.04Å; C123-C223 PolarHBondContact SG-SG 3.14Å; W125-C223 HydrophobicContact CE3-CB 4.32Å; W125-C223 HydrophobicContact CZ3-CB 4.44Å; F132-C223 HydrophobicContact CD2-CB 3.71Å; F132-C223 HydrophobicContact CE2-CB 3.49Å; F132-C223 VanDerWaalsContact CE2-CB 3.49Å; F132-C223 HydrophobicContact CZ-CB 4.28Å; T221-C223 PolarHBondContact O-N 2.82Å; T221-C223 VanDerWaalsContact O-N 3.16Å; C223-E225 VanDerWaalsContact C-N 3.32Å; C223-E225 PolarHBondContact O-N 2.93Å; C223-V226 PolarHBondContact O-N 3.13Å; C223-F227 WeakPolarHBondContact O-CB 3.26Å; C223-F227 PolarHBondContact O-N 3.11Å
224	L	95.5	Very high	91.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-44.9	173.7	176.2	64.8	0	0	0	111.6	F132 L136 L213 Y214 L217 L218 T221 P222 V226 F227 I228	F132-L224 HydrophobicContact CE1-CD1 4.46Å; F132-L224 VanDerWaalsContact CZ-CA 3.45Å; F132-L224 HydrophobicContact CZ-CB 4.04Å; F132-L224 HydrophobicContact CZ-CD1 4.43Å; L136-L224 HydrophobicContact CD2-CD1 3.9Å; L213-L224 HydrophobicContact CD2-CD1 4.08Å; L213-L224 HydrophobicContact CG-CD1 4.43Å; L213-L224 HydrophobicContact CG-CD2 4.16Å; Y214-L224 HydrophobicContact CD1-CD2 3.68Å; Y214-L224 HydrophobicContact CD1-CG 4.15Å; Y214-L224 HydrophobicContact CE1-CD2 4.12Å; Y214-L224 HydrophobicContact CE1-CG 4.08Å; L217-L224 HydrophobicContact CB-CD2 3.57Å; L217-L224 HydrophobicContact CD1-CD1 4.29Å; L217-L224 HydrophobicContact CD1-CD2 3.75Å; L217-L224 HydrophobicContact CG-CD2 4.28Å; L218-L224 HydrophobicContact CD2-CB 4.23Å; L218-L224 HydrophobicContact CD2-CD2 4.43Å; L218-L224 HydrophobicContact CG-CD2 4.37Å; T221-L224 HydrophobicContact CG2-CB 4.23Å; T221-L224 WeakPolarHBondContact O-CB 3.33Å; T221-L224 PolarHBondContact O-N 3.41Å; P222-L224 PolarHBondContact O-N 3.33Å; P222-L224 VanDerWaalsContact O-N 3.09Å; L224-V226 PolarHBondContact O-N 3.12Å; L224-F227 PolarHBondContact O-N 3.06Å; L224-I228 HydrophobicContact CD1-CD1 4.25Å; L224-I228 HydrophobicContact CD1-CG1 3.88Å; L224-I228 HydrophobicContact CG-CG1 4.28Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.24Å; L224-I228 PolarHBondContact O-N 2.84Å
225	E	91.8	Very high	90.6	Very high	34 Å²	34	45 Å²	45	16%	0.159	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-41.6	-179	179.9	161.6	-158.4	0	0	111.5	K111 P222 C223 F227 I228 N229	K111-E225 IonicContact NZ-OE1 4Å; K111-E225 PolarHBondContact NZ-OE1 2.85Å; K111-E225 IonicContact NZ-OE2 3.7Å; K111-E225 PolarHBondContact NZ-OE2 3Å; P222-E225 PolarHBondContact O-N 2.87Å; C223-E225 VanDerWaalsContact C-N 3.32Å; C223-E225 PolarHBondContact O-N 2.93Å; E225-F227 PolarHBondContact O-N 2.71Å; E225-I228 PolarHBondContact O-N 3.39Å; E225-N229 VanDerWaalsContact O-CB 3.29Å; E225-N229 WeakPolarHBondContact O-CB 3.15Å; E225-N229 PolarHBondContact O-N 3.22Å; E225-N229 PolarHBondContact O-ND2 3.38Å
226	V	94.1	Very high	90.6	Very high	26 Å²	26	43.3 Å²	43.3	16%	0.158	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175.1	-177.3	0	0	0	0	111.1	C123 W125 C223 L224 R230	C123-V226 HydrophobicContact CB-CG2 3.99Å; W125-V226 HydrophobicContact CB-CG1 4.21Å; W125-V226 HydrophobicContact CD2-CB 4.38Å; W125-V226 HydrophobicContact CD2-CG1 3.54Å; W125-V226 HydrophobicContact CE3-CB 3.81Å; W125-V226 HydrophobicContact CE3-CG1 3.48Å; W125-V226 VanDerWaalsContact CE3-CG1 3.48Å; W125-V226 HydrophobicContact CG-CG1 3.85Å; W125-V226 HydrophobicContact CZ3-CB 4.29Å; W125-V226 HydrophobicContact CZ3-CG1 4.16Å; C223-V226 PolarHBondContact O-N 3.13Å; L224-V226 PolarHBondContact O-N 3.12Å; V226-R230 WeakPolarHBondContact O-CG 3.08Å; V226-R230 PolarHBondContact O-N 2.69Å; V226-R230 VanDerWaalsContact O-N 3.14Å
227	F	95.6	Very high	91	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-53	177.4	175.5	-106.3	0	0	0	112	W125 F132 L136 C223 L224 E225 N229 R230 C231 C245 F246	W125-F227 HydrophobicContact CH2-CB 3.92Å; W125-F227 AromaticContact CH2-CD2 3.97Å; W125-F227 HydrophobicContact CH2-CD2 3.97Å; W125-F227 HydrophobicContact CH2-CG 4.46Å; W125-F227 HydrophobicContact CZ3-CB 3.86Å; F132-F227 HydrophobicContact CD1-CB 3.51Å; F132-F227 AromaticContact CD1-CD1 3.99Å; F132-F227 HydrophobicContact CD1-CD1 3.99Å; F132-F227 AromaticContact CD1-CD2 3.71Å; F132-F227 HydrophobicContact CD1-CD2 3.71Å; F132-F227 HydrophobicContact CD1-CE2 4.38Å; F132-F227 AromaticContact CD1-CG 3.45Å; F132-F227 HydrophobicContact CD1-CG 3.45Å; F132-F227 VanDerWaalsContact CD1-CG 3.45Å; F132-F227 HydrophobicContact CE1-CB 3.42Å; F132-F227 VanDerWaalsContact CE1-CB 3.42Å; F132-F227 AromaticContact CE1-CD1 3.77Å; F132-F227 HydrophobicContact CE1-CD1 3.77Å; F132-F227 HydrophobicContact CE1-CD2 4.29Å; F132-F227 AromaticContact CE1-CG 3.57Å; F132-F227 HydrophobicContact CE1-CG 3.57Å; F132-F227 HydrophobicContact CG-CB 4.48Å; F132-F227 HydrophobicContact CZ-CB 4.36Å; L136-F227 HydrophobicContact CD2-CD1 3.83Å; L136-F227 HydrophobicContact CD2-CE1 3.68Å; C223-F227 WeakPolarHBondContact O-CB 3.26Å; C223-F227 PolarHBondContact O-N 3.11Å; L224-F227 PolarHBondContact O-N 3.06Å; E225-F227 PolarHBondContact O-N 2.71Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 2.91Å; F227-R230 WeakPolarHBondContact O-CB 3.11Å; F227-R230 PolarHBondContact O-N 2.86Å; F227-R230 VanDerWaalsContact O-N 3.1Å; F227-C231 PolarHBondContact O-N 2.03Å; F227-C231 PolarHBondContact O-SG 2.04Å; F227-C245 HydrophobicContact CE2-CB 4.15Å; F227-C245 WeakPolarHBondContact CE2-O 3.12Å; F227-C245 HydrophobicContact CZ-CB 3.77Å; F227-C245 WeakPolarHBondContact CZ-O 3.49Å; F227-F246 HydrophobicContact CE1-CE1 4.33Å; F227-F246 HydrophobicContact CE1-CE2 4.05Å; F227-F246 AromaticContact CE1-CZ 3.76Å; F227-F246 HydrophobicContact CE1-CZ 3.76Å; F227-F246 HydrophobicContact CZ-CE1 4.2Å; F227-F246 HydrophobicContact CZ-CE2 4.14Å; F227-F246 AromaticContact CZ-CZ 3.96Å; F227-F246 HydrophobicContact CZ-CZ 3.96Å
228	I	94.1	Very high	91.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-42.9	-179.4	-66.5	-57.6	0	0	0	111.3	L210 L213 Y214 L224 E225 R230 C231 S232 I237 W242	L210-I228 HydrophobicContact CD1-CG2 3.57Å; L210-I228 HydrophobicContact CD2-CD1 4.36Å; L213-I228 HydrophobicContact CD2-CD1 4.35Å; Y214-I228 HydrophobicContact CE1-CG1 4.22Å; Y214-I228 VanDerWaalsContact OH-CG2 3.27Å; Y214-I228 WeakPolarHBondContact OH-CG2 3.5Å; L224-I228 HydrophobicContact CD1-CD1 4.25Å; L224-I228 HydrophobicContact CD1-CG1 3.88Å; L224-I228 HydrophobicContact CG-CG1 4.28Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.24Å; L224-I228 PolarHBondContact O-N 2.84Å; E225-I228 PolarHBondContact O-N 3.39Å; I228-R230 VanDerWaalsContact C-N 3.26Å; I228-R230 PolarHBondContact O-N 2.84Å; I228-C231 WeakPolarHBondContact O-CB 3.24Å; I228-C231 PolarHBondContact O-N 3.46Å; I228-S232 PolarHBondContact O-N 2.88Å; I228-I237 HydrophobicContact CD1-CD1 4.44Å; I228-I237 HydrophobicContact CG2-CD1 3.69Å; I228-W242 HydrophobicContact CD1-CZ3 4.01Å
229	N	91.8	Very high	91.2	Very high	79 Å²	79	42.1 Å²	42.1	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-36.6	177.9	-73.8	-21.2	0	0	0	111.9	E225 F227 C231 S232	E225-N229 VanDerWaalsContact O-CB 3.29Å; E225-N229 WeakPolarHBondContact O-CB 3.15Å; E225-N229 PolarHBondContact O-N 3.22Å; E225-N229 PolarHBondContact O-ND2 3.38Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 2.91Å; N229-C231 VanDerWaalsContact C-N 3.33Å; N229-S232 PolarHBondContact O-N 2.68Å; N229-S232 PolarHBondContact O-OG 3.31Å
230	R	92.9	Very high	91.5	Very high	140 Å²	140	44 Å²	44	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-70.2	-26.8	174.2	-73.6	171.8	167.4	-124.9	5.4	113.3	W125 E129 V226 F227 I228	W125-R230 VanDerWaalsContact CD1-CZ 3.46Å; E129-R230 IonicContact OE1-CZ 2.95Å; E129-R230 IonicContact OE1-NH1 3.93Å; E129-R230 PolarHBondContact OE1-NH1 2.9Å; E129-R230 IonicContact OE1-NH2 3.38Å; V226-R230 WeakPolarHBondContact O-CG 3.08Å; V226-R230 PolarHBondContact O-N 2.69Å; V226-R230 VanDerWaalsContact O-N 3.14Å; F227-R230 WeakPolarHBondContact O-CB 3.11Å; F227-R230 PolarHBondContact O-N 2.86Å; F227-R230 VanDerWaalsContact O-N 3.1Å; I228-R230 VanDerWaalsContact C-N 3.26Å; I228-R230 PolarHBondContact O-N 2.84Å
231	C	92.9	Very high	91.7	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-76.6	-30.1	173.9	-57.3	0	0	0	0	113.3	F227 I228 N229 I237 C245	F227-C231 PolarHBondContact O-N 2.03Å; F227-C231 PolarHBondContact O-SG 2.04Å; I228-C231 WeakPolarHBondContact O-CB 3.24Å; I228-C231 PolarHBondContact O-N 3.46Å; N229-C231 VanDerWaalsContact C-N 3.33Å; C231-I237 HydrophobicContact CB-CD1 3.91Å; C231-I237 HydrophobicContact CB-CG1 4.3Å; C231-I237 HydrophobicContact CB-CG2 4.39Å; C231-C245 WeakPolarHBondContact CA-SG 3.41Å; C231-C245 HydrophobicContact CB-CB 3.98Å; C231-C245 WeakPolarHBondContact CB-SG 3.48Å; C231-C245 WeakPolarHBondContact SG-CB 3.48Å; C231-C245 CovalentContact SG-SG 2.01Å; C231-C245 PolarHBondContact SG-SG 3.44Å
232	S	88.5	Confident	91.8	Very high	51 Å²	51	39.7 Å²	39.7	36%	0.357	24%	0.243	S	C	.	.			trans	-72.7	142.4	-173.6	72.5	0	0	0	0	113.2	I228 N229	I228-S232 PolarHBondContact O-N 2.88Å; N229-S232 PolarHBondContact O-N 2.68Å; N229-S232 PolarHBondContact O-OG 3.31Å
233	G	79.1	Confident	92	Very high	34 Å²	34	38.6 Å²	38.6	35%	0.351	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-107.8	-158.2	167.2	0	0	0	0	0	111.7	G235 G236	G233-G235 PolarHBondContact O-N 3.25Å; G233-G236 PolarHBondContact N-O 3.11Å
234	S	76.3	Confident	92	Very high	134 Å²	134	42.6 Å²	42.6	94%	0.937	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	106.7	170.1	57.2	0	0	0	0	110.1
235	G	77.7	Confident	92	Very high	57 Å²	57	43.9 Å²	43.9	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	31.3	172.3	0	0	0	0	0	115.8	Q206 G233	Q206-G235 PolarHBondContact NE2-O 3.12Å; Q206-G235 PolarHBondContact OE1-O 2.04Å; G233-G235 PolarHBondContact O-N 3.25Å
236	G	90.9	Very high	92.2	Very high	16 Å²	16	42.6 Å²	42.6	17%	0.165	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	116.9	-164.9	171.2	0	0	0	0	0	114	L205 G233 Q241	L205-G236 CarbonylContact O-C 3.58Å; L205-G236 VanDerWaalsContact O-CA 3.27Å; L205-G236 WeakPolarHBondContact O-CA 3.17Å; G233-G236 PolarHBondContact N-O 3.11Å; G236-Q241 PolarHBondContact O-OE1 3.26Å
237	I	96.3	Very high	92.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110	177.4	-55.8	172.9	0	0	0	108.7	S204 L205 L210 I228 C231 Q241 W242	S204-I237 CarbonylContact C-O 3.52Å; S204-I237 VanDerWaalsContact CA-O 3.26Å; S204-I237 WeakPolarHBondContact CA-O 3.36Å; L205-I237 HydrophobicContact CB-CB 4.25Å; L205-I237 PolarHBondContact N-O 2.94Å; L205-I237 PolarHBondContact O-N 2.97Å; L210-I237 HydrophobicContact CD1-CD1 4.23Å; I228-I237 HydrophobicContact CD1-CD1 4.44Å; I228-I237 HydrophobicContact CG2-CD1 3.69Å; C231-I237 HydrophobicContact CB-CD1 3.91Å; C231-I237 HydrophobicContact CB-CG1 4.3Å; C231-I237 HydrophobicContact CB-CG2 4.39Å; I237-Q241 HydrophobicContact CG2-CB 3.84Å; I237-W242 HydrophobicContact CG2-CB 3.81Å; I237-W242 HydrophobicContact CG2-CE3 4.33Å
238	S	95.7	Very high	92.2	Very high	41 Å²	41	47.4 Å²	47.4	29%	0.287	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	164.8	173.4	77.7	0	0	0	0	111.9	D240 Q241 W242	S238-D240 VanDerWaalsContact C-N 3.27Å; S238-D240 PolarHBondContact O-N 3.11Å; S238-D240 PolarHBondContact OG-N 3.34Å; S238-Q241 PolarHBondContact O-N 2.88Å; S238-Q241 WeakPolarHBondContact OG-CG 3.3Å; S238-Q241 PolarHBondContact OG-N 3.37Å; S238-Q241 PolarHBondContact OG-OE1 3.23Å; S238-W242 PolarHBondContact O-N 3.26Å
239	F	95.9	Very high	92.2	Very high	24 Å²	24	49.7 Å²	49.7	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-50.2	-47.9	172.9	-176.5	-92.5	0	0	0	111.8	F194 W242 H243 R253 V254	F194-F239 AromaticContact CD1-CD2 3.58Å; F194-F239 HydrophobicContact CD1-CD2 3.58Å; F194-F239 HydrophobicContact CD1-CE2 4.28Å; F194-F239 HydrophobicContact CE1-CB 4.06Å; F194-F239 AromaticContact CE1-CD2 3.71Å; F194-F239 HydrophobicContact CE1-CD2 3.71Å; F194-F239 HydrophobicContact CE1-CG 4.39Å; F194-F239 VanDerWaalsContact CE2-CA 3.47Å; F194-F239 HydrophobicContact CE2-CB 4.27Å; F194-F239 HydrophobicContact CG-CD2 4.08Å; F194-F239 HydrophobicContact CZ-CB 3.84Å; F194-F239 HydrophobicContact CZ-CD2 4.29Å; F239-W242 PolarHBondContact O-N 2.72Å; F239-H243 AromaticContact CD1-CE1 3.91Å; F239-H243 AromaticContact CD1-ND1 3.7Å; F239-H243 AromaticContact CD2-CE1 3.64Å; F239-H243 AromaticContact CE1-CE1 3.54Å; F239-H243 AromaticContact CE1-ND1 3.62Å; F239-H243 AromaticContact CE2-CE1 3.25Å; F239-H243 WeakPolarHBondContact CE2-CE1 3.49Å; F239-H243 AromaticContact CG-CE1 3.96Å; F239-H243 AromaticContact CG-ND1 3.93Å; F239-H243 AromaticContact CZ-CE1 3.19Å; F239-H243 WeakPolarHBondContact CZ-CE1 2.99Å; F239-H243 AromaticContact CZ-ND1 3.79Å; F239-H243 AromaticContact CZ-NE2 3.84Å; F239-H243 PolarHBondContact O-N 3.09Å; F239-H243 PolarHBondContact O-ND1 3.46Å; F239-R253 HydrophobicContact CE1-CB 3.86Å; F239-R253 HydrophobicContact CE1-CG 4.43Å; F239-R253 HydrophobicContact CZ-CB 4.01Å; F239-V254 WeakPolarHBondContact CZ-O 3.04Å
240	D	95.6	Very high	92.4	Very high	81 Å²	81	53 Å²	53	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-38.9	-179.3	-71.7	-36.5	0	0	0	113.1	S238 W242 H243 N244 R253	S238-D240 VanDerWaalsContact C-N 3.27Å; S238-D240 PolarHBondContact O-N 3.11Å; S238-D240 PolarHBondContact OG-N 3.34Å; D240-W242 VanDerWaalsContact C-N 3.33Å; D240-W242 PolarHBondContact O-N 2.85Å; D240-H243 PolarHBondContact O-N 3.18Å; D240-N244 WeakPolarHBondContact O-CB 2.98Å; D240-N244 PolarHBondContact O-N 3.24Å; D240-N244 PolarHBondContact O-ND2 3.23Å; D240-N244 PolarHBondContact O-OD1 2.04Å; D240-R253 IonicContact OD1-CZ 3.94Å; D240-R253 IonicContact OD1-NH1 2.67Å; D240-R253 PolarHBondContact OD1-NH1 3.12Å
241	Q	96.8	Very high	92.4	Very high	63 Å²	63	53.9 Å²	53.9	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-42.4	177.2	-74.4	174.3	-53.9	0	0	111.8	G236 I237 S238 N244 C245	G236-Q241 PolarHBondContact O-OE1 3.26Å; I237-Q241 HydrophobicContact CG2-CB 3.84Å; S238-Q241 PolarHBondContact O-N 2.88Å; S238-Q241 WeakPolarHBondContact OG-CG 3.3Å; S238-Q241 PolarHBondContact OG-N 3.37Å; S238-Q241 PolarHBondContact OG-OE1 3.23Å; Q241-N244 PolarHBondContact O-N 2.79Å; Q241-C245 PolarHBondContact O-N 2.81Å
242	W	97.1	Very high	92.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57.5	-53.2	175.2	179.1	-100.1	0	0	0	111	F140 I190 F194 L197 L205 L210 L213 I228 I237 S238 F239 D240 N244 C245 F246	F140-W242 AromaticContact CE2-CH2 3.91Å; F140-W242 HydrophobicContact CE2-CH2 3.91Å; F140-W242 AromaticContact CE2-CZ2 3.73Å; F140-W242 HydrophobicContact CE2-CZ2 3.73Å; F140-W242 AromaticContact CZ-CH2 3.93Å; F140-W242 HydrophobicContact CZ-CH2 3.93Å; F140-W242 AromaticContact CZ-CZ2 3.99Å; F140-W242 HydrophobicContact CZ-CZ2 3.99Å; I190-W242 VanDerWaalsContact CG2-NE1 3.26Å; I190-W242 PolarHBondContact O-NE1 3.37Å; F194-W242 HydrophobicContact CB-CG 4.24Å; F194-W242 HydrophobicContact CD2-CB 3.65Å; F194-W242 AromaticContact CD2-CD1 3.93Å; F194-W242 HydrophobicContact CD2-CD2 4.29Å; F194-W242 AromaticContact CD2-CG 3.68Å; F194-W242 HydrophobicContact CD2-CG 3.68Å; F194-W242 HydrophobicContact CE2-CB 4.15Å; F194-W242 HydrophobicContact CG-CG 4.42Å; L197-W242 HydrophobicContact CD1-CH2 3.88Å; L197-W242 HydrophobicContact CD1-CZ2 4.24Å; L197-W242 HydrophobicContact CD1-CZ3 4.46Å; L205-W242 HydrophobicContact CD1-CD2 4.12Å; L205-W242 HydrophobicContact CD1-CE3 3.63Å; L205-W242 HydrophobicContact CD1-CH2 4.49Å; L205-W242 HydrophobicContact CD1-CZ3 3.84Å; L210-W242 HydrophobicContact CD2-CZ3 4.49Å; L213-W242 HydrophobicContact CD2-CH2 4.42Å; I228-W242 HydrophobicContact CD1-CZ3 4.01Å; I237-W242 HydrophobicContact CG2-CB 3.81Å; I237-W242 HydrophobicContact CG2-CE3 4.33Å; S238-W242 PolarHBondContact O-N 3.26Å; F239-W242 PolarHBondContact O-N 2.72Å; D240-W242 VanDerWaalsContact C-N 3.33Å; D240-W242 PolarHBondContact O-N 2.85Å; W242-N244 PolarHBondContact O-N 3.35Å; W242-C245 WeakPolarHBondContact O-CB 3.41Å; W242-C245 PolarHBondContact O-N 3.07Å; W242-F246 HydrophobicContact CD2-CD2 4.42Å; W242-F246 AromaticContact CD2-CE2 3.95Å; W242-F246 HydrophobicContact CD2-CE2 3.95Å; W242-F246 AromaticContact CE2-CE2 3.62Å; W242-F246 HydrophobicContact CE3-CE2 4.23Å; W242-F246 AromaticContact CH2-CE2 3.94Å; W242-F246 HydrophobicContact CH2-CE2 3.94Å; W242-F246 HydrophobicContact CH2-CZ 4.29Å; W242-F246 AromaticContact CZ2-CE2 3.62Å; W242-F246 HydrophobicContact CZ2-CE2 3.62Å; W242-F246 HydrophobicContact CZ2-CZ 4.14Å; W242-F246 HydrophobicContact CZ3-CE2 4.23Å; W242-F246 VanDerWaalsContact O-CD2 3.29Å; W242-F246 WeakPolarHBondContact O-CD2 3.47Å; W242-F246 PolarHBondContact O-N 2.8Å
243	H	97.2	Very high	92.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-39.2	-179	-71.4	88.1	0	0	0	113	S191 F239 D240 C245 F246 D247 I248 R253	S191-H243 VanDerWaalsContact CA-NE2 3.33Å; S191-H243 WeakPolarHBondContact CA-NE2 3.3Å; S191-H243 PolarHBondContact N-NE2 2.88Å; S191-H243 PolarHBondContact OG-NE2 3.03Å; F239-H243 AromaticContact CD1-CE1 3.91Å; F239-H243 AromaticContact CD1-ND1 3.7Å; F239-H243 AromaticContact CD2-CE1 3.64Å; F239-H243 AromaticContact CE1-CE1 3.54Å; F239-H243 AromaticContact CE1-ND1 3.62Å; F239-H243 AromaticContact CE2-CE1 3.25Å; F239-H243 WeakPolarHBondContact CE2-CE1 3.49Å; F239-H243 AromaticContact CG-CE1 3.96Å; F239-H243 AromaticContact CG-ND1 3.93Å; F239-H243 AromaticContact CZ-CE1 3.19Å; F239-H243 WeakPolarHBondContact CZ-CE1 2.99Å; F239-H243 AromaticContact CZ-ND1 3.79Å; F239-H243 AromaticContact CZ-NE2 3.84Å; F239-H243 PolarHBondContact O-N 3.09Å; F239-H243 PolarHBondContact O-ND1 3.46Å; D240-H243 PolarHBondContact O-N 3.18Å; H243-C245 VanDerWaalsContact C-N 3.27Å; H243-C245 PolarHBondContact O-N 3.42Å; H243-F246 CarbonylContact O-C 3.2Å; H243-F246 PolarHBondContact O-N 3.16Å; H243-F246 VanDerWaalsContact O-N 3.13Å; H243-D247 PolarHBondContact O-N 2.88Å; H243-I248 HydrophobicContact CB-CB 4.12Å; H243-I248 PolarHBondContact O-N 3.17Å; H243-R253 HydrophobicContact CB-CG 4.24Å
244	N	96	Very high	93.3	Very high	92 Å²	92	55.1 Å²	55.1	49%	0.492	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-36.2	176.3	-69	-14.8	0	0	0	111.7	D240 Q241 W242 F246 D247 R253	D240-N244 WeakPolarHBondContact O-CB 2.98Å; D240-N244 PolarHBondContact O-N 3.24Å; D240-N244 PolarHBondContact O-ND2 3.23Å; D240-N244 PolarHBondContact O-OD1 2.04Å; Q241-N244 PolarHBondContact O-N 2.79Å; W242-N244 PolarHBondContact O-N 3.35Å; N244-F246 PolarHBondContact O-N 2.73Å; N244-D247 PolarHBondContact O-N 2.72Å; N244-D247 VanDerWaalsContact O-N 3.1Å; N244-R253 PolarHBondContact OD1-NH2 3.48Å
245	C	95.8	Very high	94.1	Very high	27 Å²	27	53.9 Å²	53.9	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-20.1	175.9	-102.4	0	0	0	0	114.8	S133 F227 C231 Q241 W242 H243	S133-C245 WeakPolarHBondContact CB-O 3.21Å; F227-C245 HydrophobicContact CE2-CB 4.15Å; F227-C245 WeakPolarHBondContact CE2-O 3.12Å; F227-C245 HydrophobicContact CZ-CB 3.77Å; F227-C245 WeakPolarHBondContact CZ-O 3.49Å; C231-C245 WeakPolarHBondContact CA-SG 3.41Å; C231-C245 HydrophobicContact CB-CB 3.98Å; C231-C245 WeakPolarHBondContact CB-SG 3.48Å; C231-C245 WeakPolarHBondContact SG-CB 3.48Å; C231-C245 CovalentContact SG-SG 2.01Å; C231-C245 PolarHBondContact SG-SG 3.44Å; Q241-C245 PolarHBondContact O-N 2.81Å; W242-C245 WeakPolarHBondContact O-CB 3.41Å; W242-C245 PolarHBondContact O-N 3.07Å; H243-C245 VanDerWaalsContact C-N 3.27Å; H243-C245 PolarHBondContact O-N 3.42Å
246	F	95.9	Very high	94.8	Very high	7 Å²	7	52.4 Å²	52.4	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11.4	174.7	-72.2	-81.2	0	0	0	112.7	S133 L136 F140 I190 F227 W242 H243 N244 I248	S133-F246 WeakPolarHBondContact O-CD1 3.18Å; S133-F246 WeakPolarHBondContact O-CE1 3.43Å; L136-F246 HydrophobicContact CB-CE1 4.04Å; L136-F246 HydrophobicContact CD2-CE1 4.04Å; L136-F246 HydrophobicContact CD2-CZ 3.69Å; L136-F246 HydrophobicContact CG-CE1 3.93Å; L136-F246 HydrophobicContact CG-CZ 3.96Å; F140-F246 HydrophobicContact CD2-CE1 4.35Å; F140-F246 HydrophobicContact CD2-CZ 4.18Å; F140-F246 HydrophobicContact CE2-CE1 4.36Å; F140-F246 AromaticContact CE2-CZ 3.77Å; F140-F246 HydrophobicContact CE2-CZ 3.77Å; I190-F246 HydrophobicContact CD1-CB 4.41Å; I190-F246 HydrophobicContact CD1-CD1 3.71Å; I190-F246 HydrophobicContact CD1-CD2 4.22Å; I190-F246 HydrophobicContact CD1-CE1 3.98Å; I190-F246 HydrophobicContact CD1-CE2 4.49Å; I190-F246 HydrophobicContact CD1-CG 3.86Å; I190-F246 HydrophobicContact CD1-CZ 4.38Å; I190-F246 HydrophobicContact CG1-CB 4.16Å; I190-F246 HydrophobicContact CG1-CD1 4.37Å; I190-F246 HydrophobicContact CG1-CG 4.13Å; I190-F246 HydrophobicContact CG2-CB 4.04Å; I190-F246 HydrophobicContact CG2-CD2 3.66Å; I190-F246 HydrophobicContact CG2-CE2 4.38Å; I190-F246 HydrophobicContact CG2-CG 3.95Å; F227-F246 HydrophobicContact CE1-CE1 4.33Å; F227-F246 HydrophobicContact CE1-CE2 4.05Å; F227-F246 AromaticContact CE1-CZ 3.76Å; F227-F246 HydrophobicContact CE1-CZ 3.76Å; F227-F246 HydrophobicContact CZ-CE1 4.2Å; F227-F246 HydrophobicContact CZ-CE2 4.14Å; F227-F246 AromaticContact CZ-CZ 3.96Å; F227-F246 HydrophobicContact CZ-CZ 3.96Å; W242-F246 HydrophobicContact CD2-CD2 4.42Å; W242-F246 AromaticContact CD2-CE2 3.95Å; W242-F246 HydrophobicContact CD2-CE2 3.95Å; W242-F246 AromaticContact CE2-CE2 3.62Å; W242-F246 HydrophobicContact CE3-CE2 4.23Å; W242-F246 AromaticContact CH2-CE2 3.94Å; W242-F246 HydrophobicContact CH2-CE2 3.94Å; W242-F246 HydrophobicContact CH2-CZ 4.29Å; W242-F246 AromaticContact CZ2-CE2 3.62Å; W242-F246 HydrophobicContact CZ2-CE2 3.62Å; W242-F246 HydrophobicContact CZ2-CZ 4.14Å; W242-F246 HydrophobicContact CZ3-CE2 4.23Å; W242-F246 VanDerWaalsContact O-CD2 3.29Å; W242-F246 WeakPolarHBondContact O-CD2 3.47Å; W242-F246 PolarHBondContact O-N 2.8Å; H243-F246 CarbonylContact O-C 3.2Å; H243-F246 PolarHBondContact O-N 3.16Å; H243-F246 VanDerWaalsContact O-N 3.13Å; N244-F246 PolarHBondContact O-N 2.73Å; F246-I248 HydrophobicContact CB-CD1 4.24Å; F246-I248 HydrophobicContact CB-CG1 3.74Å; F246-I248 WeakPolarHBondContact O-CD1 3.33Å; F246-I248 PolarHBondContact O-N 3.31Å
247	D	94.2	Very high	94.8	Very high	130 Å²	130	56.2 Å²	56.2	70%	0.695	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	35.5	-177.3	-58.3	-56.5	0	0	0	113.5	H243 N244 P249	H243-D247 PolarHBondContact O-N 2.88Å; N244-D247 PolarHBondContact O-N 2.72Å; N244-D247 VanDerWaalsContact O-N 3.1Å; D247-P249 WeakPolarHBondContact O-CD 3.34Å
248	I	94.9	Very high	94.3	Very high	8 Å²	8	60.8 Å²	60.8	4%	0.041	31%	0.312	C	S	.	.			trans	-87.8	118.7	-177.6	-55.6	-54.3	0	0	0	111.2	V185 G187 I190 H243 F246 E252 R253	V185-I248 HydrophobicContact CB-CD1 4.36Å; V185-I248 HydrophobicContact CG1-CD1 4.11Å; G187-I248 VanDerWaalsContact CA-CG2 3.45Å; I190-I248 HydrophobicContact CB-CG1 4.21Å; I190-I248 HydrophobicContact CG1-CD1 4.23Å; I190-I248 HydrophobicContact CG1-CG1 4.18Å; I190-I248 HydrophobicContact CG2-CG1 4.16Å; H243-I248 HydrophobicContact CB-CB 4.12Å; H243-I248 PolarHBondContact O-N 3.17Å; F246-I248 HydrophobicContact CB-CD1 4.24Å; F246-I248 HydrophobicContact CB-CG1 3.74Å; F246-I248 WeakPolarHBondContact O-CD1 3.33Å; F246-I248 PolarHBondContact O-N 3.31Å; I248-E252 HydrophobicContact CG2-CB 4.03Å; I248-R253 HydrophobicContact CG2-CG 4.12Å; I248-R253 PolarHBondContact O-NE 2.92Å; I248-R253 PolarHBondContact O-NH2 2.72Å
249	P	94.3	Very high	93.7	Very high	52 Å²	52	59 Å²	59	34%	0.338	30%	0.299	S	S	.	.			trans	-61.2	154.9	175.5	-21.6	33.7	0	0	0	112.6	D247 E251 E252 R253	D247-P249 WeakPolarHBondContact O-CD 3.34Å; P249-E251 VanDerWaalsContact C-N 3.29Å; P249-E251 HydrophobicContact CB-CG 4.15Å; P249-E251 WeakPolarHBondContact CB-OE1 3.29Å; P249-E251 VanDerWaalsContact CB-OE2 3.28Å; P249-E251 WeakPolarHBondContact CB-OE2 3.09Å; P249-E251 PolarHBondContact O-N 3.32Å; P249-E252 PolarHBondContact O-N 3.41Å; P249-R253 WeakPolarHBondContact O-CG 3.03Å
250	Q	95.4	Very high	92.7	Very high	148 Å²	148	62.9 Å²	62.9	69%	0.692	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.3	-37.2	-175.9	-76.2	-173.6	-19.7	0	0	113.1	E252 R253	Q250-E252 PolarHBondContact O-N 2.88Å; Q250-R253 PolarHBondContact O-N 2.86Å
251	E	93.6	Very high	92.6	Very high	159 Å²	159	62 Å²	62	74%	0.743	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.4	179.7	60.4	-90.4	-147.3	0	0	114.1	P249	P249-E251 VanDerWaalsContact C-N 3.29Å; P249-E251 HydrophobicContact CB-CG 4.15Å; P249-E251 WeakPolarHBondContact CB-OE1 3.29Å; P249-E251 VanDerWaalsContact CB-OE2 3.28Å; P249-E251 WeakPolarHBondContact CB-OE2 3.09Å; P249-E251 PolarHBondContact O-N 3.32Å
252	E	91.9	Very high	92.3	Very high	53 Å²	53	61.9 Å²	61.9	25%	0.248	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-96.2	-4.5	177.6	-59.6	-162.1	179	0	0	113.2	R184 G187 I248 P249 Q250	R184-E252 IonicContact CZ-OE1 3.54Å; R184-E252 IonicContact CZ-OE2 3.92Å; R184-E252 IonicContact NH1-OE1 2.75Å; R184-E252 PolarHBondContact NH1-OE1 3.11Å; R184-E252 IonicContact NH1-OE2 2.88Å; R184-E252 PolarHBondContact NH1-OE2 2.94Å; R184-E252 IonicContact NH2-OE1 3.51Å; G187-E252 CarbonylContact C-O 3.59Å; I248-E252 HydrophobicContact CG2-CB 4.03Å; P249-E252 PolarHBondContact O-N 3.41Å; Q250-E252 PolarHBondContact O-N 2.88Å
253	R	94.4	Very high	92.1	Very high	34 Å²	34	65.4 Å²	65.4	13%	0.128	33%	0.328	C	S	.	.			trans	-80.6	130.1	-177.6	-53.6	-179	-169.9	-177.4	-3.6	110.4	F239 D240 H243 N244 I248 P249 Q250	F239-R253 HydrophobicContact CE1-CB 3.86Å; F239-R253 HydrophobicContact CE1-CG 4.43Å; F239-R253 HydrophobicContact CZ-CB 4.01Å; D240-R253 IonicContact OD1-CZ 3.94Å; D240-R253 IonicContact OD1-NH1 2.67Å; D240-R253 PolarHBondContact OD1-NH1 3.12Å; H243-R253 HydrophobicContact CB-CG 4.24Å; N244-R253 PolarHBondContact OD1-NH2 3.48Å; I248-R253 HydrophobicContact CG2-CG 4.12Å; I248-R253 PolarHBondContact O-NE 2.92Å; I248-R253 PolarHBondContact O-NH2 2.72Å; P249-R253 WeakPolarHBondContact O-CG 3.03Å; Q250-R253 PolarHBondContact O-N 2.86Å
254	V	93.1	Very high	91.8	Very high	31 Å²	31	69.2 Å²	69.2	19%	0.188	35%	0.347	C	S	.	.			trans	-108.6	127.4	178.6	-177.6	0	0	0	0	109.7	A188 S191 F239 E258 F259	A188-V254 HydrophobicContact CB-CG2 3.71Å; S191-V254 VanDerWaalsContact CB-O 3.26Å; S191-V254 WeakPolarHBondContact CB-O 3.46Å; S191-V254 PolarHBondContact OG-N 3.37Å; F239-V254 WeakPolarHBondContact CZ-O 3.04Å; V254-E258 HydrophobicContact CG1-CB 3.63Å; V254-E258 HydrophobicContact CG1-CG 3.86Å; V254-F259 HydrophobicContact CB-CE2 3.98Å; V254-F259 HydrophobicContact CB-CZ 3.79Å; V254-F259 HydrophobicContact CG1-CE1 4.28Å; V254-F259 HydrophobicContact CG1-CE2 3.71Å; V254-F259 HydrophobicContact CG1-CZ 3.56Å
255	Q	93.9	Very high	91.5	Very high	108 Å²	108	67.8 Å²	67.8	51%	0.505	34%	0.338	S	S	.	.			trans	-73.1	151.9	-179.8	-65.1	-62.6	-34.3	0	0	111.8	N257 E258	Q255-N257 WeakPolarHBondContact CB-OD1 3.13Å; Q255-N257 PolarHBondContact O-N 2.82Å; Q255-N257 VanDerWaalsContact O-N 3.14Å; Q255-E258 WeakPolarHBondContact O-CB 3.28Å; Q255-E258 PolarHBondContact O-N 3.29Å; Q255-E258 VanDerWaalsContact O-N 3.09Å
256	C	91.8	Very high	91.2	Very high	26 Å²	26	70.5 Å²	70.5	18%	0.176	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-64.2	-22.4	-172.2	-63.2	0	0	0	0	115.4	C195 E258 F259 K260	C195-C256 VanDerWaalsContact CA-SG 3.56Å; C195-C256 HydrophobicContact CB-CB 3.75Å; C195-C256 WeakPolarHBondContact CB-SG 2.98Å; C195-C256 WeakPolarHBondContact SG-CA 3.32Å; C195-C256 WeakPolarHBondContact SG-CB 3.24Å; C195-C256 CovalentContact SG-SG 2.04Å; C195-C256 PolarHBondContact SG-SG 3.25Å; C256-E258 PolarHBondContact O-N 3.29Å; C256-F259 PolarHBondContact O-N 3.28Å; C256-K260 PolarHBondContact O-N 3.43Å
257	N	90.2	Very high	90.9	Very high	96 Å²	96	75.1 Å²	75.1	51%	0.513	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-66.5	-18.7	175.7	66	-57.1	0	0	0	113.4	K167 Q255 F259	K167-N257 PolarHBondContact NZ-O 3.44Å; Q255-N257 WeakPolarHBondContact CB-OD1 3.13Å; Q255-N257 PolarHBondContact O-N 2.82Å; Q255-N257 VanDerWaalsContact O-N 3.14Å; N257-F259 VanDerWaalsContact C-N 3.31Å
258	E	87.3	Confident	90.6	Very high	97 Å²	97	70.8 Å²	70.8	45%	0.453	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-77.7	-20.7	175.4	-59.6	-55.2	134.7	0	0	112.2	T171 V254 Q255 C256	T171-E258 PolarHBondContact OG1-O 2.63Å; V254-E258 HydrophobicContact CG1-CB 3.63Å; V254-E258 HydrophobicContact CG1-CG 3.86Å; Q255-E258 WeakPolarHBondContact O-CB 3.28Å; Q255-E258 PolarHBondContact O-N 3.29Å; Q255-E258 VanDerWaalsContact O-N 3.09Å; C256-E258 PolarHBondContact O-N 3.29Å
259	F	82.9	Confident	90.3	Very high	4 Å²	4	76.1 Å²	76.1	2%	0.018	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-24.1	179.1	-55.6	-63.3	0	0	0	113.8	A168 T171 T172 L175 Y192 C195 V254 C256 N257	A168-F259 WeakPolarHBondContact CA-O 3.28Å; A168-F259 WeakPolarHBondContact CB-O 3.38Å; T171-F259 HydrophobicContact CG2-CD1 3.86Å; T171-F259 HydrophobicContact CG2-CE1 3.88Å; T172-F259 HydrophobicContact CG2-CD1 4Å; T172-F259 HydrophobicContact CG2-CE1 4.03Å; L175-F259 HydrophobicContact CD1-CE1 3.66Å; L175-F259 HydrophobicContact CD1-CZ 4.16Å; Y192-F259 HydrophobicContact CD2-CB 4.48Å; Y192-F259 AromaticContact CD2-CD1 3.9Å; Y192-F259 HydrophobicContact CD2-CD1 3.9Å; Y192-F259 HydrophobicContact CD2-CE1 4.24Å; Y192-F259 HydrophobicContact CD2-CG 4.08Å; C195-F259 HydrophobicContact CB-CD2 4.16Å; V254-F259 HydrophobicContact CB-CE2 3.98Å; V254-F259 HydrophobicContact CB-CZ 3.79Å; V254-F259 HydrophobicContact CG1-CE1 4.28Å; V254-F259 HydrophobicContact CG1-CE2 3.71Å; V254-F259 HydrophobicContact CG1-CZ 3.56Å; C256-F259 PolarHBondContact O-N 3.28Å; N257-F259 VanDerWaalsContact C-N 3.31Å
260	K	74.6	Confident	89.9	Confident	105 Å²	105	78.3 Å²	78.3	46%	0.457	37%	0.374	S	S	.	.			trans	-108.6	0	-173.7	-61.5	-178.6	-174.4	-178.6	0	112.5	K167 C195 D198 N201 C256	K167-K260 PolarHBondContact NZ-O 3.03Å; C195-K260 WeakPolarHBondContact O-CE 3.3Å; C195-K260 PolarHBondContact O-NZ 3.34Å; C195-K260 VanDerWaalsContact O-NZ 3.07Å; D198-K260 PolarHBondContact O-NZ 3.42Å; N201-K260 PolarHBondContact OD1-NZ 2.82Å; C256-K260 PolarHBondContact O-N 3.43Å

Retrieved 260 of 260 residues in 167.8 ms (Link to these results)

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