A0A087YFI4_POEFO Loading...

Ribonuclease T2-like

AlphaFold DB (A0A3B3TZF3), UniProt , Accession A0A087YFI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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	45.4	Very low	47.4	Very low	249 Å²	249	161.1 Å²	161.1	100%	1.227	86%	0.861	S	S	*	*				0	102.3	0	-68.8	163.8	85.6	0	0	107.7
2	S	39.3	Very low	48	Very low	118 Å²	118	163 Å²	163	83%	0.825	86%	0.856	S	S	*	*			trans	-156.2	112.9	165.9	-169.8	0	0	0	0	107.3
3	A	39.6	Very low	48.3	Very low	103 Å²	103	158.3 Å²	158.3	85%	0.851	84%	0.842	S	S	*	*			trans	-91	120.8	178.8	0	0	0	0	0	108.4
4	T	45.8	Very low	48.7	Very low	137 Å²	137	158.2 Å²	158.2	84%	0.84	84%	0.84	S	S	*	*			trans	-99.5	114.1	168.5	33.7	0	0	0	0	109.3
5	R	49.2	Very low	49.2	Very low	251 Å²	251	157.7 Å²	157.7	95%	0.947	84%	0.836	S	S	*	*			trans	-72.5	135.7	160	-82.7	179.1	169	-168.6	-3	108.6
6	S	46.4	Very low	49.8	Very low	117 Å²	117	154.4 Å²	154.4	82%	0.818	82%	0.824	S	S	*	*			trans	-161.2	127.8	141.4	-150.4	0	0	0	0	114.3
7	A	52.4	Low	50	Low	87 Å²	87	151.8 Å²	151.8	72%	0.719	82%	0.82	S	S	*	*			trans	54.4	102.9	148.2	0	0	0	0	0	120.6	R9	A7-R9 PolarHBondContact O-N 3.35Å
8	M	50.3	Low	50.5	Low	176 Å²	176	152.2 Å²	152.2	87%	0.867	82%	0.82	S	S	*	*			trans	-64.5	112.9	157.7	-170.7	172.9	73.4	0	0	109.7
9	R	54.3	Low	51	Low	215 Å²	215	149.3 Å²	149.3	81%	0.811	82%	0.819	S	S	*	*			trans	-81.9	118.6	169.6	-76.1	-174.7	174.9	-159.7	-1.5	108.9	A7 H11	A7-R9 PolarHBondContact O-N 3.35Å; R9-H11 PolarHBondContact O-N 3.18Å
10	L	49.4	Very low	51.5	Low	144 Å²	144	145.8 Å²	145.8	75%	0.754	81%	0.811	S	S	*	*			trans	-67.5	117.4	165.8	-88.6	94.7	0	0	0	108.9	F12	L10-F12 PolarHBondContact O-N 3.06Å
11	H	49.8	Very low	52	Low	175 Å²	175	143.3 Å²	143.3	81%	0.81	81%	0.809	S	S	*	*			trans	-83.9	108.1	166.6	-73.8	-64.4	0	0	0	108.9	R9	R9-H11 PolarHBondContact O-N 3.18Å
12	F	53.5	Low	52.8	Low	184 Å²	184	139 Å²	139	81%	0.807	79%	0.788	S	S	*	*			trans	-76.8	119.7	162.5	-116.6	-97.6	0	0	0	107.5	L10 L14	L10-F12 PolarHBondContact O-N 3.06Å; F12-L14 PolarHBondContact O-N 3.47Å
13	P	52.1	Low	53.7	Low	102 Å²	102	138.8 Å²	138.8	66%	0.662	79%	0.787	S	S	*	*			trans	-70.4	118.1	172.8	28.1	-28.8	0	0	0	107.8	L15	P13-L15 PolarHBondContact O-N 3.17Å
14	L	53.7	Low	54.7	Low	157 Å²	157	138.7 Å²	138.7	82%	0.822	78%	0.78	S	S	*	*			trans	-66.3	100.4	168.8	-131.3	100	0	0	0	106.8	F12 V16	F12-L14 PolarHBondContact O-N 3.47Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 HydrophobicContact CD2-CG2 4.34Å; L14-V16 PolarHBondContact O-N 3.47Å
15	L	56.2	Low	55.4	Low	150 Å²	150	136.1 Å²	136.1	79%	0.785	77%	0.772	S	S	*	*			trans	-66.2	97.6	165.5	-104.4	96	0	0	0	107.4	P13 C17	P13-L15 PolarHBondContact O-N 3.17Å; L15-C17 VanDerWaalsContact C-N 3.35Å; L15-C17 PolarHBondContact O-N 2.96Å; L15-C17 VanDerWaalsContact O-N 3.11Å
16	V	58.8	Low	55.9	Low	106 Å²	106	129.9 Å²	129.9	64%	0.642	76%	0.761	S	S	*	*			trans	-75.7	93.5	166	179.9	0	0	0	0	106.6	L14 L18	L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 HydrophobicContact CD2-CG2 4.34Å; L14-V16 PolarHBondContact O-N 3.47Å; V16-L18 HydrophobicContact CG1-CD1 4.36Å; V16-L18 PolarHBondContact O-N 3.43Å
17	C	54.5	Low	56.5	Low	110 Å²	110	131.5 Å²	131.5	74%	0.743	76%	0.759	S	S	*	*			trans	-65.2	98.9	165.9	-74.9	0	0	0	0	108.2	L15 A19	L15-C17 VanDerWaalsContact C-N 3.35Å; L15-C17 PolarHBondContact O-N 2.96Å; L15-C17 VanDerWaalsContact O-N 3.11Å; C17-A19 VanDerWaalsContact C-N 3.27Å; C17-A19 PolarHBondContact O-N 2.99Å
18	L	58	Low	56.7	Low	159 Å²	159	132.8 Å²	132.8	83%	0.832	76%	0.758	S	S	*	*			trans	-65.4	93.9	161.2	-95.4	105.4	0	0	0	107.6	V16 A20	V16-L18 HydrophobicContact CG1-CD1 4.36Å; V16-L18 PolarHBondContact O-N 3.43Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.25Å
19	A	59.8	Low	57.1	Low	96 Å²	96	128.7 Å²	128.7	79%	0.793	75%	0.747	S	S	*	*			trans	-68.2	96.1	162.6	0	0	0	0	0	107.2	C17 A21	C17-A19 VanDerWaalsContact C-N 3.27Å; C17-A19 PolarHBondContact O-N 2.99Å; A19-A21 PolarHBondContact O-N 3.36Å
20	A	61.9	Low	57.3	Low	80 Å²	80	123.9 Å²	123.9	66%	0.661	74%	0.744	S	S	*	*			trans	-64.2	101.7	166	0	0	0	0	0	107.2	L18 M22	L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.25Å; A20-M22 VanDerWaalsContact C-N 3.28Å; A20-M22 PolarHBondContact O-N 3.39Å
21	A	61.7	Low	57.8	Low	93 Å²	93	124.3 Å²	124.3	77%	0.769	75%	0.746	S	S	*	*			trans	-65	94.7	169.4	0	0	0	0	0	107.5	A19 S23	A19-A21 PolarHBondContact O-N 3.36Å; A21-S23 PolarHBondContact O-N 3.23Å
22	M	61.3	Low	58.4	Low	159 Å²	159	122.7 Å²	122.7	78%	0.783	74%	0.736	S	S	*	*			trans	-66	87	164.8	-69.5	-85.5	98.3	0	0	106.4	A20 S24	A20-M22 VanDerWaalsContact C-N 3.28Å; A20-M22 PolarHBondContact O-N 3.39Å; M22-S24 PolarHBondContact O-N 3.18Å; M22-S24 PolarHBondContact O-OG 3Å
23	S	59.5	Low	59.4	Low	114 Å²	114	118.3 Å²	118.3	80%	0.797	72%	0.72	S	S	*	*			trans	-64.8	91.9	172.7	-157.5	0	0	0	0	106.6	A21 A25	A21-S23 PolarHBondContact O-N 3.23Å; S23-A25 PolarHBondContact O-N 2.9Å
24	S	60.3	Low	61.2	Low	101 Å²	101	114 Å²	114	71%	0.706	69%	0.691	S	S	*	*			trans	-69.9	88.2	173.8	-59.3	0	0	0	0	105.9	M22 V26	M22-S24 PolarHBondContact O-N 3.18Å; M22-S24 PolarHBondContact O-OG 3Å; S24-V26 VanDerWaalsContact C-N 3.32Å; S24-V26 PolarHBondContact O-N 3.49Å
25	A	60.6	Low	62.9	Low	83 Å²	83	110 Å²	110	69%	0.686	67%	0.673	S	S	*	*			trans	-60.3	103.7	166.5	0	0	0	0	0	105.9	S23 I27	S23-A25 PolarHBondContact O-N 2.9Å; A25-I27 VanDerWaalsContact C-N 3.32Å; A25-I27 PolarHBondContact O-N 3.48Å
26	V	59.5	Low	64.7	Low	119 Å²	119	104.3 Å²	104.3	72%	0.721	64%	0.642	S	S	*	*			trans	-63.2	103.5	168.3	-177.7	0	0	0	0	104.8	S24 T28	S24-V26 VanDerWaalsContact C-N 3.32Å; S24-V26 PolarHBondContact O-N 3.49Å; V26-T28 HydrophobicContact CG1-CG2 3.93Å; V26-T28 PolarHBondContact O-N 3.47Å
27	I	59.2	Low	66.5	Low	151 Å²	151	99.3 Å²	99.3	77%	0.774	61%	0.612	S	S	*	*			trans	-68.9	86.6	168.2	-57.5	174	0	0	0	104.8	A25 S29	A25-I27 VanDerWaalsContact C-N 3.32Å; A25-I27 PolarHBondContact O-N 3.48Å; I27-S29 VanDerWaalsContact C-N 3.26Å; I27-S29 PolarHBondContact O-N 3.43Å
28	T	55.5	Low	68.6	Low	114 Å²	114	95.1 Å²	95.1	70%	0.699	58%	0.582	S	S	*	*			trans	-67.9	96.8	163	53.2	0	0	0	0	105.1	V26	V26-T28 HydrophobicContact CG1-CG2 3.93Å; V26-T28 PolarHBondContact O-N 3.47Å
29	S	58.8	Low	70.6	Confident	91 Å²	91	87.5 Å²	87.5	64%	0.636	54%	0.542	S	S	*	.			trans	-48.8	130.6	167.4	-60.6	0	0	0	0	107.4	I27 I31	I27-S29 VanDerWaalsContact C-N 3.26Å; I27-S29 PolarHBondContact O-N 3.43Å; S29-I31 PolarHBondContact O-N 2.83Å
30	P	59	Low	72.4	Confident	114 Å²	114	83 Å²	83	74%	0.74	50%	0.504	S	S	*	.			trans	-53.1	132.9	176	20.2	-29	0	0	0	107.8	K32	P30-K32 VanDerWaalsContact C-N 3.35Å; P30-K32 PolarHBondContact O-N 3.28Å
31	I	60	Low	74.2	Confident	153 Å²	153	79.1 Å²	79.1	79%	0.785	47%	0.473	S	S	*	.			trans	-59.8	103.5	175.3	-61.7	172.8	0	0	0	105.6	S29 L33	S29-I31 PolarHBondContact O-N 2.83Å; I31-L33 PolarHBondContact O-N 3.49Å; I31-L33 VanDerWaalsContact O-N 3.09Å
32	K	63.2	Low	75.9	Confident	140 Å²	140	75.1 Å²	75.1	61%	0.609	44%	0.438	S	S	*	.			trans	-66	109.3	171.8	-72.4	-169.3	177.1	-171.1	0	106.7	P30 W34	P30-K32 VanDerWaalsContact C-N 3.35Å; P30-K32 PolarHBondContact O-N 3.28Å; K32-W34 PolarHBondContact O-N 3.16Å
33	L	74.7	Confident	77.7	Confident	92 Å²	92	67.6 Å²	67.6	48%	0.482	40%	0.401	S	S	.	.	S	Bend	trans	-66.8	-27.2	-179.4	-79.9	91	0	0	0	111.9	I31 K69 E120	I31-L33 PolarHBondContact O-N 3.49Å; I31-L33 VanDerWaalsContact O-N 3.09Å; L33-K69 WeakPolarHBondContact O-CB 3.49Å; L33-K69 WeakPolarHBondContact O-CD 3.41Å; L33-E120 WeakPolarHBondContact CB-OE2 3.39Å; L33-E120 WeakPolarHBondContact CD1-OE2 3.39Å; L33-E120 WeakPolarHBondContact CG-OE2 3.18Å
34	W	89.9	Confident	79.4	Confident	11 Å²	11	62.3 Å²	62.3	4%	0.042	36%	0.364	C	S	.	.			trans	-126.4	153.5	174.3	58	-95.7	0	0	0	111.4	K32 V37 P67 D68 C117 A121 L124 A201	K32-W34 PolarHBondContact O-N 3.16Å; W34-V37 HydrophobicContact CE3-CG1 3.97Å; W34-V37 HydrophobicContact CH2-CG1 3.74Å; W34-V37 HydrophobicContact CZ2-CG1 4.31Å; W34-V37 HydrophobicContact CZ3-CG1 3.56Å; W34-P67 HydrophobicContact CB-CB 3.7Å; W34-P67 HydrophobicContact CD2-CB 4.26Å; W34-P67 HydrophobicContact CG-CB 3.69Å; W34-P67 HydrophobicContact CG-CG 4.37Å; W34-D68 WeakPolarHBondContact CA-OD1 3.43Å; W34-D68 WeakPolarHBondContact CB-OD1 3.31Å; W34-C117 PolarHBondContact NE1-O 3.22Å; W34-C117 VanDerWaalsContact NE1-O 3.16Å; W34-A121 HydrophobicContact CH2-CB 4.02Å; W34-A121 HydrophobicContact CZ2-CB 3.41Å; W34-A121 VanDerWaalsContact CZ2-CB 3.41Å; W34-L124 HydrophobicContact CH2-CD1 4.12Å; W34-L124 HydrophobicContact CZ2-CD1 3.98Å; W34-A201 HydrophobicContact CZ3-CB 4.19Å
35	T	89.4	Confident	81	Confident	73 Å²	73	61.6 Å²	61.6	45%	0.448	35%	0.348	S	S	.	.	S	Bend	trans	-114.5	-20.4	-174.9	59.1	0	0	0	0	113.5	D68	T35-D68 PolarHBondContact N-OD1 3.41Å; T35-D68 PolarHBondContact OG1-OD2 3.27Å
36	K	93.8	Very high	82.7	Confident	32 Å²	32	57.8 Å²	57.8	14%	0.139	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.8	176.1	65.2	176.8	-178	169.2	0	110.2	D68 C198 F199 Y206 C208	K36-D68 HydrophobicContact CD-CB 4.28Å; K36-D68 HydrophobicContact CG-CB 3.55Å; K36-D68 PolarHBondContact N-OD1 3.08Å; K36-D68 PolarHBondContact O-N 2.66Å; K36-C198 HydrophobicContact CD-CB 4.36Å; K36-F199 CarbonylContact C-O 3.46Å; K36-F199 WeakPolarHBondContact CA-O 3.34Å; K36-F199 WeakPolarHBondContact CB-O 3.43Å; K36-Y206 HydrophobicContact CD-CD1 4.34Å; K36-C208 PolarHBondContact NZ-O 2.88Å
37	V	97.1	Very high	84.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.5	166.1	-66.4	0	0	0	0	110.1	W34 L65 W66 L124 C198 F199 F203	W34-V37 HydrophobicContact CE3-CG1 3.97Å; W34-V37 HydrophobicContact CH2-CG1 3.74Å; W34-V37 HydrophobicContact CZ2-CG1 4.31Å; W34-V37 HydrophobicContact CZ3-CG1 3.56Å; V37-L65 HydrophobicContact CB-CD1 3.91Å; V37-L65 HydrophobicContact CB-CG 4.39Å; V37-L65 HydrophobicContact CG2-CD1 3.93Å; V37-W66 CarbonylContact C-O 3.6Å; V37-W66 VanDerWaalsContact CA-O 3.3Å; V37-W66 WeakPolarHBondContact CA-O 3.29Å; V37-L124 HydrophobicContact CG1-CD1 4.41Å; V37-C198 WeakPolarHBondContact O-CA 3.45Å; V37-F199 HydrophobicContact CG2-CB 3.91Å; V37-F199 PolarHBondContact N-O 2.93Å; V37-F199 PolarHBondContact O-N 3.02Å; V37-F203 HydrophobicContact CG2-CD1 4.1Å; V37-F203 HydrophobicContact CG2-CE1 4.13Å
38	I	98.4	Very high	86	Confident	22 Å²	22	47.9 Å²	47.9	11%	0.113	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109.5	-174.6	-52.4	171.2	0	0	0	106.6	T40 L65 W66 E196	I38-T40 PolarHBondContact O-N 3.27Å; I38-L65 CarbonylContact O-C 3.47Å; I38-L65 WeakPolarHBondContact O-CA 3.47Å; I38-W66 HydrophobicContact CB-CB 4.47Å; I38-W66 PolarHBondContact N-O 2.92Å; I38-W66 PolarHBondContact O-N 3.49Å; I38-E196 HydrophobicContact CG2-CB 3.63Å; I38-E196 HydrophobicContact CG2-CG 3.72Å
39	L	98.8	Very high	87.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	106.1	172.1	-172.9	77.5	0	0	0	108.2	L62 L65 L137 V141 E196 I197 F199	L39-L62 HydrophobicContact CD1-CD2 3.54Å; L39-L62 HydrophobicContact CG-CD2 4.02Å; L39-L65 HydrophobicContact CB-CD1 4.33Å; L39-L65 HydrophobicContact CD1-CD1 4.09Å; L39-L137 HydrophobicContact CD1-CB 3.98Å; L39-L137 HydrophobicContact CD2-CB 4.04Å; L39-V141 HydrophobicContact CD2-CG1 3.99Å; L39-V141 HydrophobicContact CD2-CG2 3.68Å; L39-E196 WeakPolarHBondContact O-CA 3.31Å; L39-I197 WeakPolarHBondContact CB-O 3.42Å; L39-I197 PolarHBondContact N-O 3.29Å; L39-I197 PolarHBondContact O-N 3.36Å; L39-F199 HydrophobicContact CB-CD2 4.35Å; L39-F199 HydrophobicContact CB-CE2 3.8Å; L39-F199 HydrophobicContact CD2-CE2 4.22Å
40	T	98.7	Very high	89.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120	-175.6	-54.3	0	0	0	0	109.7	I38 H63 G64 W66 Q194 E196	I38-T40 PolarHBondContact O-N 3.27Å; T40-H63 HydrophobicContact CG2-CB 3.79Å; T40-H63 WeakPolarHBondContact O-CB 3.21Å; T40-H63 PolarHBondContact O-N 2.93Å; T40-G64 PolarHBondContact N-O 3.44Å; T40-G64 PolarHBondContact O-N 2.93Å; T40-G64 VanDerWaalsContact O-N 3.11Å; T40-W66 HydrophobicContact CG2-CH2 3.69Å; T40-W66 HydrophobicContact CG2-CZ2 4.24Å; T40-W66 HydrophobicContact CG2-CZ3 3.85Å; T40-W66 VanDerWaalsContact OG1-CE3 3.26Å; T40-W66 WeakPolarHBondContact OG1-CZ3 3.27Å; T40-Q194 HydrophobicContact CG2-CG 3.51Å; T40-Q194 VanDerWaalsContact CG2-NE2 3.27Å; T40-E196 HydrophobicContact CG2-CG 4.03Å
41	Q	98.8	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.5	175.2	-67.8	173.5	83.9	0	0	110.2	W60 T61 L62 Y138 L143 Q194 I195	Q41-W60 HydrophobicContact CB-CE3 4.11Å; Q41-T61 CarbonylContact C-O 3.53Å; Q41-T61 WeakPolarHBondContact CA-O 3.37Å; Q41-L62 HydrophobicContact CG-CD2 4.12Å; Q41-Y138 HydrophobicContact CG-CD2 4.22Å; Q41-Y138 HydrophobicContact CG-CE2 4.41Å; Q41-Y138 VanDerWaalsContact OE1-CE2 3.31Å; Q41-L143 HydrophobicContact CB-CD2 3.95Å; Q41-L143 HydrophobicContact CG-CD2 4.4Å; Q41-Q194 CarbonylContact O-C 3.5Å; Q41-Q194 VanDerWaalsContact O-CA 3.29Å; Q41-Q194 WeakPolarHBondContact O-CA 3.3Å; Q41-Q194 WeakPolarHBondContact O-CG 3.35Å; Q41-I195 PolarHBondContact N-O 2.95Å; Q41-I195 PolarHBondContact O-N 3.07Å
42	Q	97.9	Very high	91.9	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.2	-178.6	61	-177.2	-16.8	0	0	111.6	P44 W60 T61 H63 L98 G193	Q42-P44 WeakPolarHBondContact O-CD 3.43Å; Q42-W60 VanDerWaalsContact C-CE3 3.4Å; Q42-T61 PolarHBondContact N-O 3.24Å; Q42-T61 PolarHBondContact O-N 2.79Å; Q42-T61 VanDerWaalsContact O-N 3.13Å; Q42-H63 HydrophobicContact CB-CB 4.38Å; Q42-H63 HydrophobicContact CG-CB 4.14Å; Q42-L98 HydrophobicContact CG-CD1 4.23Å; Q42-G193 CarbonylContact C-O 3.42Å; Q42-G193 WeakPolarHBondContact CA-O 3.41Å
43	W	97.8	Very high	93.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.198	C	C	.	.			trans	-91.1	113.2	173.4	-173.9	-124.5	0	0	0	110.1	K45 T46 F47 S58 Y59 W60 P154 G193 Y241 P242	W43-K45 VanDerWaalsContact C-N 3.27Å; W43-K45 PolarHBondContact O-N 3.13Å; W43-T46 PolarHBondContact O-N 3.07Å; W43-T46 VanDerWaalsContact O-N 3.13Å; W43-F47 PolarHBondContact O-N 3.48Å; W43-F47 VanDerWaalsContact O-N 3.12Å; W43-S58 WeakPolarHBondContact CH2-O 3.49Å; W43-Y59 VanDerWaalsContact CZ3-C 3.5Å; W43-W60 HydrophobicContact CB-CD2 4.49Å; W43-W60 HydrophobicContact CB-CE3 4.27Å; W43-W60 HydrophobicContact CB-CH2 3.92Å; W43-W60 HydrophobicContact CB-CZ2 4.13Å; W43-W60 HydrophobicContact CB-CZ3 3.99Å; W43-W60 AromaticContact CE3-CD1 3.85Å; W43-W60 HydrophobicContact CE3-CD2 4.12Å; W43-W60 AromaticContact CE3-CE2 3.99Å; W43-W60 HydrophobicContact CE3-CG 4.05Å; W43-W60 AromaticContact CE3-NE1 3.79Å; W43-W60 AromaticContact CZ3-CD1 3.98Å; W43-W60 HydrophobicContact CZ3-CG 4.48Å; W43-P154 HydrophobicContact CH2-CG 3.72Å; W43-P154 HydrophobicContact CZ2-CB 4.21Å; W43-P154 HydrophobicContact CZ2-CG 3.68Å; W43-G193 PolarHBondContact N-O 3.41Å; W43-Y241 AromaticContact CD1-CE2 3.99Å; W43-Y241 HydrophobicContact CD2-CD2 4.47Å; W43-Y241 AromaticContact CD2-CE2 3.54Å; W43-Y241 HydrophobicContact CD2-CE2 3.54Å; W43-Y241 AromaticContact CE2-CE2 3.45Å; W43-Y241 VanDerWaalsContact CE2-CE2 3.45Å; W43-Y241 AromaticContact CE3-CE2 3.88Å; W43-Y241 HydrophobicContact CE3-CE2 3.88Å; W43-Y241 AromaticContact CG-CE2 3.95Å; W43-Y241 HydrophobicContact CG-CE2 3.95Å; W43-Y241 HydrophobicContact CH2-CE2 4.13Å; W43-Y241 AromaticContact CZ2-CE2 3.81Å; W43-Y241 HydrophobicContact CZ2-CE2 3.81Å; W43-Y241 HydrophobicContact CZ3-CE2 4.13Å; W43-Y241 VanDerWaalsContact CZ3-OH 3.24Å; W43-Y241 WeakPolarHBondContact CZ3-OH 2.91Å; W43-Y241 AromaticContact NE1-CD2 3.99Å; W43-Y241 AromaticContact NE1-CE2 3.68Å; W43-P242 PolarHBondContact NE1-O 3.36Å
44	P	95.9	Very high	93.5	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-35.9	-173.1	-29.5	37.4	0	0	0	114.5	Q42 T46 F47 C48 I57 Y59 T61 L98	Q42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-T46 PolarHBondContact O-N 2.96Å; P44-F47 PolarHBondContact O-N 2.88Å; P44-C48 WeakPolarHBondContact O-CB 3.19Å; P44-C48 PolarHBondContact O-N 3.41Å; P44-I57 HydrophobicContact CB-CB 4.25Å; P44-I57 HydrophobicContact CB-CG2 4.48Å; P44-I57 HydrophobicContact CG-CB 4.06Å; P44-I57 HydrophobicContact CG-CG2 3.75Å; P44-Y59 WeakPolarHBondContact CD-O 3.48Å; P44-T61 HydrophobicContact CG-CG2 4.2Å; P44-L98 HydrophobicContact CB-CD1 4.2Å; P44-L98 HydrophobicContact CB-CD2 4.16Å; P44-L98 HydrophobicContact CG-CD1 4.46Å; P44-L98 HydrophobicContact CG-CD2 4.22Å
45	K	94.8	Very high	93.1	Very high	86 Å²	86	45 Å²	45	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-65.9	-40.3	-179.8	-171.6	62.9	170.5	-169.4	0	112.2	W43 C48 S49 P242	W43-K45 VanDerWaalsContact C-N 3.27Å; W43-K45 PolarHBondContact O-N 3.13Å; K45-C48 PolarHBondContact O-N 2.73Å; K45-S49 PolarHBondContact O-N 3.37Å; K45-P242 HydrophobicContact CB-CG 4.22Å; K45-P242 HydrophobicContact CG-CB 3.87Å; K45-P242 HydrophobicContact CG-CG 4.06Å
46	T	95.8	Very high	93.1	Very high	3 Å²	3	49 Å²	49	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-68.3	-44.7	177.2	-59.6	0	0	0	0	110.3	W43 P44 C48 S49 L181 T191 L192 P242	W43-T46 PolarHBondContact O-N 3.07Å; W43-T46 VanDerWaalsContact O-N 3.13Å; P44-T46 PolarHBondContact O-N 2.96Å; T46-C48 PolarHBondContact O-N 3.49Å; T46-S49 WeakPolarHBondContact O-CB 3.29Å; T46-S49 PolarHBondContact O-N 2.87Å; T46-S49 PolarHBondContact O-OG 3.29Å; T46-L181 HydrophobicContact CG2-CD1 3.51Å; T46-L181 HydrophobicContact CG2-CG 3.83Å; T46-T191 HydrophobicContact CG2-CG2 3.8Å; T46-T191 WeakPolarHBondContact OG1-CG2 3.47Å; T46-L192 WeakPolarHBondContact CB-O 3.27Å; T46-L192 PolarHBondContact OG1-O 2.97Å; T46-P242 WeakPolarHBondContact OG1-CG 3.3Å
47	F	94.8	Very high	93	Very high	47 Å²	47	48.7 Å²	48.7	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-49	173.2	178.6	-88	0	0	0	112.1	W43 P44 S49 T50 E51 L98 L99	W43-F47 PolarHBondContact O-N 3.48Å; W43-F47 VanDerWaalsContact O-N 3.12Å; P44-F47 PolarHBondContact O-N 2.88Å; F47-S49 PolarHBondContact O-N 2.94Å; F47-T50 PolarHBondContact O-N 2.71Å; F47-T50 VanDerWaalsContact O-N 3.16Å; F47-T50 PolarHBondContact O-OG1 2.97Å; F47-E51 HydrophobicContact CD1-CB 4.39Å; F47-E51 HydrophobicContact CD1-CG 4.24Å; F47-E51 HydrophobicContact CD2-CG 4.37Å; F47-E51 HydrophobicContact CE1-CB 3.95Å; F47-E51 HydrophobicContact CE1-CG 3.77Å; F47-E51 HydrophobicContact CE2-CG 3.93Å; F47-E51 HydrophobicContact CZ-CB 4.26Å; F47-E51 HydrophobicContact CZ-CG 3.62Å; F47-E51 PolarHBondContact O-N 3.11Å; F47-L98 HydrophobicContact CB-CD1 3.91Å; F47-L98 HydrophobicContact CD1-CB 3.68Å; F47-L98 HydrophobicContact CD1-CD1 3.54Å; F47-L98 HydrophobicContact CD1-CG 4.27Å; F47-L98 HydrophobicContact CD2-CD1 4.34Å; F47-L98 HydrophobicContact CE1-CB 3.53Å; F47-L98 HydrophobicContact CE1-CD1 4.13Å; F47-L98 HydrophobicContact CE1-CG 4.45Å; F47-L98 HydrophobicContact CG-CD1 3.67Å; F47-L98 HydrophobicContact CZ-CB 4.3Å; F47-L99 HydrophobicContact CE1-CD2 3.73Å; F47-L99 HydrophobicContact CE1-CG 3.96Å; F47-L99 HydrophobicContact CZ-CD1 4.36Å; F47-L99 HydrophobicContact CZ-CD2 4.16Å; F47-L99 HydrophobicContact CZ-CG 4.02Å
48	C	93.2	Very high	92.9	Very high	16 Å²	16	51.6 Å²	51.6	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-70.4	-18.2	-179.3	-73.8	0	0	0	0	114	P44 K45 T46 T50 H52 C53	P44-C48 WeakPolarHBondContact O-CB 3.19Å; P44-C48 PolarHBondContact O-N 3.41Å; K45-C48 PolarHBondContact O-N 2.73Å; T46-C48 PolarHBondContact O-N 3.49Å; C48-T50 VanDerWaalsContact C-N 3.25Å; C48-T50 PolarHBondContact O-N 3.25Å; C48-H52 WeakPolarHBondContact O-CA 3.4Å; C48-H52 PolarHBondContact O-N 3.25Å; C48-C53 WeakPolarHBondContact CA-SG 3.45Å; C48-C53 HydrophobicContact CB-CB 4.09Å; C48-C53 WeakPolarHBondContact CB-O 3.26Å; C48-C53 WeakPolarHBondContact CB-SG 3.1Å; C48-C53 WeakPolarHBondContact SG-CB 3.26Å; C48-C53 CovalentContact SG-SG 2.04Å; C48-C53 PolarHBondContact SG-SG 2.85Å
49	S	91.9	Very high	92.8	Very high	70 Å²	70	53.7 Å²	53.7	49%	0.49	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-29.2	173.1	78.4	0	0	0	0	112.4	K45 T46 F47	K45-S49 PolarHBondContact O-N 3.37Å; T46-S49 WeakPolarHBondContact O-CB 3.29Å; T46-S49 PolarHBondContact O-N 2.87Å; T46-S49 PolarHBondContact O-OG 3.29Å; F47-S49 PolarHBondContact O-N 2.94Å
50	T	90.1	Very high	92.8	Very high	55 Å²	55	53.7 Å²	53.7	34%	0.337	28%	0.276	S	S	.	.	H	α-helix	trans	-94.3	-40.5	178.2	57.9	0	0	0	0	112.1	F47 C48 L181	F47-T50 PolarHBondContact O-N 2.71Å; F47-T50 VanDerWaalsContact O-N 3.16Å; F47-T50 PolarHBondContact O-OG1 2.97Å; C48-T50 VanDerWaalsContact C-N 3.25Å; C48-T50 PolarHBondContact O-N 3.25Å; T50-L181 HydrophobicContact CG2-CD1 3.43Å; T50-L181 VanDerWaalsContact CG2-CD1 3.43Å; T50-L181 HydrophobicContact CG2-CD2 4.17Å; T50-L181 HydrophobicContact CG2-CG 4.47Å
51	E	89.9	Confident	92.8	Very high	82 Å²	82	53.7 Å²	53.7	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-92.2	0.6	-174.5	-59.3	-60.2	140.3	0	0	114.2	F47 C53 L99	F47-E51 HydrophobicContact CD1-CB 4.39Å; F47-E51 HydrophobicContact CD1-CG 4.24Å; F47-E51 HydrophobicContact CD2-CG 4.37Å; F47-E51 HydrophobicContact CE1-CB 3.95Å; F47-E51 HydrophobicContact CE1-CG 3.77Å; F47-E51 HydrophobicContact CE2-CG 3.93Å; F47-E51 HydrophobicContact CZ-CB 4.26Å; F47-E51 HydrophobicContact CZ-CG 3.62Å; F47-E51 PolarHBondContact O-N 3.11Å; E51-C53 PolarHBondContact O-N 3.27Å; E51-L99 HydrophobicContact CB-CD2 3.75Å; E51-L99 HydrophobicContact CG-CD2 4.45Å
52	H	86.1	Confident	92.7	Very high	172 Å²	172	53.7 Å²	53.7	80%	0.796	28%	0.276	S	S	*	.			trans	56.3	42.1	178.7	-55.2	-59.4	0	0	0	114.4	C48	C48-H52 WeakPolarHBondContact O-CA 3.4Å; C48-H52 PolarHBondContact O-N 3.25Å
53	C	87.9	Confident	92.8	Very high	25 Å²	25	54.6 Å²	54.6	17%	0.169	28%	0.281	C	S	.	.			trans	-94.3	162.8	171.7	47.8	0	0	0	0	113.5	C48 E51 L99	C48-C53 WeakPolarHBondContact CA-SG 3.45Å; C48-C53 HydrophobicContact CB-CB 4.09Å; C48-C53 WeakPolarHBondContact CB-O 3.26Å; C48-C53 WeakPolarHBondContact CB-SG 3.1Å; C48-C53 WeakPolarHBondContact SG-CB 3.26Å; C48-C53 CovalentContact SG-SG 2.04Å; C48-C53 PolarHBondContact SG-SG 2.85Å; E51-C53 PolarHBondContact O-N 3.27Å; C53-L99 HydrophobicContact CB-CD2 4.13Å
54	Q	82.1	Confident	92.8	Very high	192 Å²	192	54.6 Å²	54.6	90%	0.897	28%	0.28	S	S	*	.			trans	-124.8	111.2	171.9	-68.5	-174.3	-7.5	0	0	109
55	L	82.7	Confident	92.9	Very high	58 Å²	58	54.4 Å²	54.4	30%	0.304	28%	0.279	S	S	.	.			trans	-134.1	147	178	-63.2	174.5	0	0	0	110	I57 L98 P101	L55-I57 HydrophobicContact CB-CD1 4.49Å; L55-I57 HydrophobicContact CB-CG1 4.29Å; L55-I57 HydrophobicContact CD1-CD1 4.14Å; L55-L98 HydrophobicContact CD1-CB 3.66Å; L55-L98 HydrophobicContact CD1-CD2 3.42Å; L55-L98 VanDerWaalsContact CD1-CD2 3.42Å; L55-L98 HydrophobicContact CD1-CG 4.08Å; L55-L98 WeakPolarHBondContact CD1-O 3.46Å; L55-P101 HydrophobicContact CD2-CG 3.9Å
56	N	87.8	Confident	93.1	Very high	158 Å²	158	51.3 Å²	51.3	85%	0.845	27%	0.265	S	S	*	.			trans	-102.3	68.3	170.4	-169.3	8.2	0	0	0	109.4
57	I	92.8	Very high	93.1	Very high	24 Å²	24	51.6 Å²	51.6	12%	0.123	27%	0.267	C	S	.	.			trans	-127.1	110.8	177.8	-57.5	178.8	0	0	0	108	P44 L55 Y59 T61 P96 L98	P44-I57 HydrophobicContact CB-CB 4.25Å; P44-I57 HydrophobicContact CB-CG2 4.48Å; P44-I57 HydrophobicContact CG-CB 4.06Å; P44-I57 HydrophobicContact CG-CG2 3.75Å; L55-I57 HydrophobicContact CB-CD1 4.49Å; L55-I57 HydrophobicContact CB-CG1 4.29Å; L55-I57 HydrophobicContact CD1-CD1 4.14Å; I57-Y59 HydrophobicContact CG2-CD1 3.9Å; I57-Y59 HydrophobicContact CG2-CD2 4.18Å; I57-Y59 HydrophobicContact CG2-CE1 3.69Å; I57-Y59 HydrophobicContact CG2-CE2 4Å; I57-Y59 HydrophobicContact CG2-CG 4.14Å; I57-T61 HydrophobicContact CG2-CG2 3.82Å; I57-P96 HydrophobicContact CD1-CG 3.9Å; I57-L98 HydrophobicContact CD1-CD2 4.04Å
58	S	93.9	Very high	93.1	Very high	62 Å²	62	51.6 Å²	51.6	43%	0.434	27%	0.269	S	S	.	.			trans	-104.5	24.8	-173.4	49	0	0	0	0	113.7	W43 D244	W43-S58 WeakPolarHBondContact CH2-O 3.49Å; S58-D244 VanDerWaalsContact CA-OD1 3.32Å; S58-D244 WeakPolarHBondContact CA-OD1 3.24Å; S58-D244 WeakPolarHBondContact CA-OD2 3.48Å; S58-D244 WeakPolarHBondContact CB-OD1 3.46Å; S58-D244 WeakPolarHBondContact CB-OD2 3.49Å
59	Y	97.1	Very high	93	Very high	66 Å²	66	56.6 Å²	56.6	26%	0.259	29%	0.289	S	S	.	.	S	Bend	trans	-143.1	154.6	-177.7	55.9	-89.3	0	0	0	110.5	W43 P44 I57 T61 K93 N144	W43-Y59 VanDerWaalsContact CZ3-C 3.5Å; P44-Y59 WeakPolarHBondContact CD-O 3.48Å; I57-Y59 HydrophobicContact CG2-CD1 3.9Å; I57-Y59 HydrophobicContact CG2-CD2 4.18Å; I57-Y59 HydrophobicContact CG2-CE1 3.69Å; I57-Y59 HydrophobicContact CG2-CE2 4Å; I57-Y59 HydrophobicContact CG2-CG 4.14Å; Y59-T61 HydrophobicContact CD2-CG2 4.1Å; Y59-T61 HydrophobicContact CE2-CG2 3.87Å; Y59-T61 PolarHBondContact O-N 2.85Å; Y59-K93 WeakPolarHBondContact CE2-O 3.22Å; Y59-K93 PolarHBondContact OH-O 3.39Å; Y59-N144 WeakPolarHBondContact CA-OD1 3.42Å; Y59-N144 WeakPolarHBondContact CB-OD1 3.47Å
60	W	98.3	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.			trans	-61.8	126.9	173.7	-72.4	85.7	0	0	0	110.1	Q41 Q42 W43 Y138 L143 N144 L147 L192 I195 Y241	Q41-W60 HydrophobicContact CB-CE3 4.11Å; Q42-W60 VanDerWaalsContact C-CE3 3.4Å; W43-W60 HydrophobicContact CB-CD2 4.49Å; W43-W60 HydrophobicContact CB-CE3 4.27Å; W43-W60 HydrophobicContact CB-CH2 3.92Å; W43-W60 HydrophobicContact CB-CZ2 4.13Å; W43-W60 HydrophobicContact CB-CZ3 3.99Å; W43-W60 AromaticContact CE3-CD1 3.85Å; W43-W60 HydrophobicContact CE3-CD2 4.12Å; W43-W60 AromaticContact CE3-CE2 3.99Å; W43-W60 HydrophobicContact CE3-CG 4.05Å; W43-W60 AromaticContact CE3-NE1 3.79Å; W43-W60 AromaticContact CZ3-CD1 3.98Å; W43-W60 HydrophobicContact CZ3-CG 4.48Å; W60-Y138 WeakPolarHBondContact O-CE2 3.41Å; W60-Y138 PolarHBondContact O-OH 2.72Å; W60-L143 HydrophobicContact CB-CD2 4.01Å; W60-L143 HydrophobicContact CB-CG 4.49Å; W60-L143 HydrophobicContact CD2-CD2 3.66Å; W60-L143 HydrophobicContact CD2-CG 4.43Å; W60-L143 HydrophobicContact CE3-CD2 3.87Å; W60-L143 HydrophobicContact CG-CD2 3.71Å; W60-L143 HydrophobicContact CG-CG 4.15Å; W60-N144 PolarHBondContact N-OD1 3.26Å; W60-N144 PolarHBondContact O-ND2 3.04Å; W60-L147 HydrophobicContact CZ2-CD1 4.32Å; W60-L192 HydrophobicContact CH2-CD1 4.21Å; W60-L192 HydrophobicContact CH2-CD2 4.15Å; W60-L192 HydrophobicContact CH2-CG 3.84Å; W60-L192 HydrophobicContact CZ2-CD2 3.74Å; W60-L192 HydrophobicContact CZ2-CG 3.93Å; W60-I195 HydrophobicContact CH2-CB 4.43Å; W60-I195 HydrophobicContact CH2-CD1 3.65Å; W60-I195 HydrophobicContact CH2-CG1 3.74Å; W60-I195 HydrophobicContact CZ2-CD1 3.76Å; W60-I195 HydrophobicContact CZ2-CG1 4.38Å; W60-I195 HydrophobicContact CZ3-CB 4.18Å; W60-I195 HydrophobicContact CZ3-CD1 4.17Å; W60-I195 HydrophobicContact CZ3-CG1 3.99Å; W60-Y241 HydrophobicContact CZ2-CE2 4.27Å; W60-Y241 AromaticContact NE1-CZ 3.66Å; W60-Y241 PolarHBondContact NE1-OH 2.91Å
61	T	98.3	Very high	93.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	157.8	176.4	55.3	0	0	0	0	110.6	Q41 Q42 P44 I57 Y59 H63 V94 P96	Q41-T61 CarbonylContact C-O 3.53Å; Q41-T61 WeakPolarHBondContact CA-O 3.37Å; Q42-T61 PolarHBondContact N-O 3.24Å; Q42-T61 PolarHBondContact O-N 2.79Å; Q42-T61 VanDerWaalsContact O-N 3.13Å; P44-T61 HydrophobicContact CG-CG2 4.2Å; I57-T61 HydrophobicContact CG2-CG2 3.82Å; Y59-T61 HydrophobicContact CD2-CG2 4.1Å; Y59-T61 HydrophobicContact CE2-CG2 3.87Å; Y59-T61 PolarHBondContact O-N 2.85Å; T61-H63 PolarHBondContact O-N 3.44Å; T61-V94 CarbonylContact C-O 3.06Å; T61-V94 WeakPolarHBondContact CA-O 3.39Å; T61-V94 WeakPolarHBondContact CB-O 3.24Å; T61-P96 HydrophobicContact CG2-CG 3.89Å
62	L	98.6	Very high	93.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.3	168.8	-74.9	173.1	0	0	0	110.3	L39 Q41 V94 W95 A134 L135 Y138	L39-L62 HydrophobicContact CD1-CD2 3.54Å; L39-L62 HydrophobicContact CG-CD2 4.02Å; Q41-L62 HydrophobicContact CG-CD2 4.12Å; L62-V94 HydrophobicContact CD1-CG2 4.29Å; L62-V94 PolarHBondContact N-O 2.91Å; L62-W95 HydrophobicContact CB-CB 3.8Å; L62-W95 HydrophobicContact CB-CD2 3.68Å; L62-W95 HydrophobicContact CB-CE3 4.27Å; L62-W95 HydrophobicContact CB-CG 3.45Å; L62-W95 VanDerWaalsContact CB-CG 3.45Å; L62-W95 HydrophobicContact CD1-CB 4.17Å; L62-W95 HydrophobicContact CD1-CD2 3.9Å; L62-W95 HydrophobicContact CD1-CE3 3.61Å; L62-W95 HydrophobicContact CD1-CG 4.17Å; L62-W95 HydrophobicContact CD1-CZ3 4.32Å; L62-W95 HydrophobicContact CG-CD2 4.43Å; L62-W95 HydrophobicContact CG-CG 4.46Å; L62-A134 HydrophobicContact CD1-CB 4.41Å; L62-L135 HydrophobicContact CD1-CD2 4.39Å; L62-Y138 HydrophobicContact CD1-CD2 4.31Å; L62-Y138 HydrophobicContact CD1-CG 4.25Å; L62-Y138 HydrophobicContact CD2-CD2 3.82Å; L62-Y138 HydrophobicContact CD2-CG 4.36Å; L62-Y138 HydrophobicContact CG-CD2 3.62Å; L62-Y138 HydrophobicContact CG-CE2 4.36Å; L62-Y138 HydrophobicContact CG-CG 4.06Å
63	H	98.4	Very high	94.2	Very high	27 Å²	27	52.8 Å²	52.8	13%	0.125	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-45.8	157.3	-168.9	163.4	0	0	0	108.9	T40 Q42 T61 W66 W95 F106 Q194	T40-H63 HydrophobicContact CG2-CB 3.79Å; T40-H63 WeakPolarHBondContact O-CB 3.21Å; T40-H63 PolarHBondContact O-N 2.93Å; Q42-H63 HydrophobicContact CB-CB 4.38Å; Q42-H63 HydrophobicContact CG-CB 4.14Å; T61-H63 PolarHBondContact O-N 3.44Å; H63-W66 HydrophobicContact CB-CZ2 4.5Å; H63-W66 AromaticContact CD2-CZ2 3.59Å; H63-W66 AromaticContact CE1-CH2 3.87Å; H63-W66 AromaticContact CE1-CZ2 3.97Å; H63-W66 AromaticContact CG-CZ2 3.81Å; H63-W66 AromaticContact ND1-CH2 3.86Å; H63-W66 AromaticContact NE2-CZ2 3.72Å; H63-W95 VanDerWaalsContact C-NE1 3.31Å; H63-W95 PolarHBondContact O-NE1 2.85Å; H63-F106 AromaticContact CD2-CE2 3.97Å; H63-F106 AromaticContact CD2-CZ 3.66Å; H63-F106 WeakPolarHBondContact O-CZ 3.41Å; H63-Q194 PolarHBondContact ND1-OE1 3.16Å
64	G	98.5	Very high	94.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	157.5	-160.2	0	0	0	0	0	116	T40 W66	T40-G64 PolarHBondContact N-O 3.44Å; T40-G64 PolarHBondContact O-N 2.93Å; T40-G64 VanDerWaalsContact O-N 3.11Å; G64-W66 VanDerWaalsContact CA-NE1 3.28Å
65	L	98.7	Very high	95.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	101.2	159.4	179.7	67.2	0	0	0	108.5	V37 I38 L39 W95 Y130 K133 A134 L137	V37-L65 HydrophobicContact CB-CD1 3.91Å; V37-L65 HydrophobicContact CB-CG 4.39Å; V37-L65 HydrophobicContact CG2-CD1 3.93Å; I38-L65 CarbonylContact O-C 3.47Å; I38-L65 WeakPolarHBondContact O-CA 3.47Å; L39-L65 HydrophobicContact CB-CD1 4.33Å; L39-L65 HydrophobicContact CD1-CD1 4.09Å; L65-W95 HydrophobicContact CB-CH2 4.47Å; L65-Y130 HydrophobicContact CB-CE2 4.03Å; L65-Y130 HydrophobicContact CD2-CD2 4.37Å; L65-Y130 HydrophobicContact CD2-CE2 4.22Å; L65-Y130 HydrophobicContact CG-CE2 4.31Å; L65-Y130 VanDerWaalsContact O-CE2 3.27Å; L65-Y130 WeakPolarHBondContact O-CE2 3.43Å; L65-Y130 PolarHBondContact O-OH 2.82Å; L65-K133 HydrophobicContact CD2-CG 4.47Å; L65-A134 HydrophobicContact CB-CB 3.9Å; L65-A134 HydrophobicContact CD2-CB 3.97Å; L65-L137 HydrophobicContact CD1-CD1 3.95Å; L65-L137 HydrophobicContact CD2-CD1 4.47Å
66	W	98	Very high	96	Very high	21 Å²	21	51.7 Å²	51.7	8%	0.08	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	-165.2	-54.4	-24.5	0	0	0	112.2	V37 I38 T40 H63 G64 E110 H114	V37-W66 CarbonylContact C-O 3.6Å; V37-W66 VanDerWaalsContact CA-O 3.3Å; V37-W66 WeakPolarHBondContact CA-O 3.29Å; I38-W66 HydrophobicContact CB-CB 4.47Å; I38-W66 PolarHBondContact N-O 2.92Å; I38-W66 PolarHBondContact O-N 3.49Å; T40-W66 HydrophobicContact CG2-CH2 3.69Å; T40-W66 HydrophobicContact CG2-CZ2 4.24Å; T40-W66 HydrophobicContact CG2-CZ3 3.85Å; T40-W66 VanDerWaalsContact OG1-CE3 3.26Å; T40-W66 WeakPolarHBondContact OG1-CZ3 3.27Å; H63-W66 HydrophobicContact CB-CZ2 4.5Å; H63-W66 AromaticContact CD2-CZ2 3.59Å; H63-W66 AromaticContact CE1-CH2 3.87Å; H63-W66 AromaticContact CE1-CZ2 3.97Å; H63-W66 AromaticContact CG-CZ2 3.81Å; H63-W66 AromaticContact ND1-CH2 3.86Å; H63-W66 AromaticContact NE2-CZ2 3.72Å; G64-W66 VanDerWaalsContact CA-NE1 3.28Å; W66-E110 PolarHBondContact NE1-OE2 2.95Å; W66-H114 AromaticContact CD1-CD2 3.21Å; W66-H114 AromaticContact CD1-CE1 3.93Å; W66-H114 AromaticContact CD1-CG 3.24Å; W66-H114 AromaticContact CD1-ND1 3.71Å; W66-H114 AromaticContact CD1-NE2 3.71Å; W66-H114 AromaticContact CE2-NE2 3.86Å; W66-H114 HydrophobicContact CG-CB 4.44Å; W66-H114 AromaticContact CG-CD2 3.98Å; W66-H114 AromaticContact CG-CE1 3.96Å; W66-H114 AromaticContact CG-CG 3.85Å; W66-H114 AromaticContact CG-ND1 3.85Å; W66-H114 AromaticContact NE1-CD2 3.18Å; W66-H114 PolarHBondContact NE1-CD2 3.28Å; W66-H114 AromaticContact NE1-CG 3.75Å; W66-H114 AromaticContact NE1-NE2 3.52Å
67	P	96.4	Very high	96.5	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	144	160.7	-26.6	37.8	0	0	0	110.9	W34 K69 C117 A118	W34-P67 HydrophobicContact CB-CB 3.7Å; W34-P67 HydrophobicContact CD2-CB 4.26Å; W34-P67 HydrophobicContact CG-CB 3.69Å; W34-P67 HydrophobicContact CG-CG 4.37Å; P67-K69 WeakPolarHBondContact CB-O 3.4Å; P67-K69 PolarHBondContact O-N 3.06Å; P67-K69 VanDerWaalsContact O-N 3.14Å; P67-C117 HydrophobicContact CG-CB 4.05Å; P67-A118 HydrophobicContact CG-CB 3.74Å
68	D	93.9	Very high	96.8	Very high	48 Å²	48	52.9 Å²	52.9	26%	0.257	28%	0.284	S	S	.	.	S	Bend	trans	-66.4	-12.3	176.2	66.5	-44.8	0	0	0	114	W34 T35 K36	W34-D68 WeakPolarHBondContact CA-OD1 3.43Å; W34-D68 WeakPolarHBondContact CB-OD1 3.31Å; T35-D68 PolarHBondContact N-OD1 3.41Å; T35-D68 PolarHBondContact OG1-OD2 3.27Å; K36-D68 HydrophobicContact CD-CB 4.28Å; K36-D68 HydrophobicContact CG-CB 3.55Å; K36-D68 PolarHBondContact N-OD1 3.08Å; K36-D68 PolarHBondContact O-N 2.66Å
69	K	92.7	Very high	97	Very high	120 Å²	120	51.5 Å²	51.5	52%	0.522	27%	0.271	S	S	.	.	S	Bend	trans	-144.5	147.9	-178.6	-64.6	179.2	-174.3	174.8	0	111	L33 P67	L33-K69 WeakPolarHBondContact O-CB 3.49Å; L33-K69 WeakPolarHBondContact O-CD 3.41Å; P67-K69 WeakPolarHBondContact CB-O 3.4Å; P67-K69 PolarHBondContact O-N 3.06Å; P67-K69 VanDerWaalsContact O-N 3.14Å
70	G	93.1	Very high	97.1	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	27%	0.274	S	S	.	.			trans	88.8	139.5	177.6	0	0	0	0	0	112.1
71	E	96.1	Very high	97	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	29%	0.285	S	S	.	.	S	Bend	trans	-139.7	146.2	168.8	-63.9	-170.3	153.4	0	0	108.1	C73 K113 H114	E71-C73 VanDerWaalsContact C-N 3.29Å; E71-C73 PolarHBondContact O-N 2.91Å; E71-K113 CarbonylContact C-O 3.49Å; E71-K113 VanDerWaalsContact CA-O 3.31Å; E71-K113 WeakPolarHBondContact CA-O 3.31Å; E71-K113 HydrophobicContact CB-CG 4.21Å; E71-K113 HydrophobicContact CG-CG 4.35Å; E71-K113 WeakPolarHBondContact OE1-CE 3.47Å; E71-K113 IonicContact OE1-NZ 3.12Å; E71-K113 PolarHBondContact OE1-NZ 3.5Å; E71-K113 WeakPolarHBondContact OE2-CE 3.45Å; E71-H114 IonicContact OE1-CE1 2.84Å
72	F	96.7	Very high	97.1	Very high	102 Å²	102	57.3 Å²	57.3	45%	0.447	31%	0.314	S	S	.	.	S	Bend	trans	54.8	40.2	176.8	-54.1	-77.8	0	0	0	113.8	N74 Y109 S112 K113	F72-N74 PolarHBondContact O-N 3.31Å; F72-Y109 HydrophobicContact CZ-CE2 4.36Å; F72-S112 WeakPolarHBondContact CA-O 3.16Å; F72-K113 HydrophobicContact CD1-CB 4.2Å; F72-K113 HydrophobicContact CD1-CG 4.47Å; F72-K113 HydrophobicContact CD2-CG 4.26Å; F72-K113 HydrophobicContact CE1-CB 3.76Å; F72-K113 HydrophobicContact CE1-CG 4.02Å; F72-K113 HydrophobicContact CE2-CB 4.45Å; F72-K113 HydrophobicContact CE2-CD 4.07Å; F72-K113 HydrophobicContact CE2-CG 3.79Å; F72-K113 HydrophobicContact CZ-CB 3.9Å; F72-K113 HydrophobicContact CZ-CD 3.82Å; F72-K113 HydrophobicContact CZ-CG 3.66Å; F72-K113 PolarHBondContact N-O 3.13Å
73	C	96.9	Very high	97.1	Very high	51 Å²	51	60.8 Å²	60.8	35%	0.345	33%	0.33	S	S	.	.			trans	-66.6	-20	-170.9	-60.2	0	0	0	0	114.5	E71 T116 C117	E71-C73 VanDerWaalsContact C-N 3.29Å; E71-C73 PolarHBondContact O-N 2.91Å; C73-T116 PolarHBondContact N-OG1 3.1Å; C73-C117 HydrophobicContact CB-CB 3.86Å; C73-C117 WeakPolarHBondContact CB-SG 3.11Å; C73-C117 PolarHBondContact N-SG 2.9Å; C73-C117 VanDerWaalsContact N-SG 3.42Å; C73-C117 VanDerWaalsContact SG-CA 3.53Å; C73-C117 WeakPolarHBondContact SG-CB 3.4Å; C73-C117 CovalentContact SG-SG 2.03Å; C73-C117 PolarHBondContact SG-SG 3.44Å
74	N	97	Very high	97.1	Very high	61 Å²	61	59.5 Å²	59.5	33%	0.326	32%	0.324	S	S	.	.			trans	-141.5	94	174.7	-167.7	-22.3	0	0	0	112.3	F72 S76 W77 T116	F72-N74 PolarHBondContact O-N 3.31Å; N74-S76 PolarHBondContact O-N 3.21Å; N74-S76 PolarHBondContact OD1-N 3.11Å; N74-S76 VanDerWaalsContact OD1-N 3.1Å; N74-W77 HydrophobicContact CB-CB 4.1Å; N74-W77 PolarHBondContact O-N 2.85Å; N74-W77 PolarHBondContact OD1-N 3.18Å; N74-T116 HydrophobicContact CB-CG2 4.11Å; N74-T116 PolarHBondContact N-OG1 3.33Å
75	S	95.6	Very high	97.1	Very high	95 Å²	95	66.1 Å²	66.1	66%	0.664	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.3	179.4	61	0	0	0	0	114.5	H78	S75-H78 PolarHBondContact O-CE1 2.93Å
76	S	98	Very high	97.1	Very high	97 Å²	97	71 Å²	71	68%	0.678	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.3	179.1	-59.1	0	0	0	0	113	N74 H78	N74-S76 PolarHBondContact O-N 3.21Å; N74-S76 PolarHBondContact OD1-N 3.11Å; N74-S76 VanDerWaalsContact OD1-N 3.1Å; S76-H78 PolarHBondContact O-N 2.8Å
77	W	97.9	Very high	97.1	Very high	75 Å²	75	70.8 Å²	70.8	28%	0.284	38%	0.381	S	S	.	.			trans	-95.7	78.5	-178.7	-163.5	-4.8	0	0	0	111	N74 W111 T116 A119	N74-W77 HydrophobicContact CB-CB 4.1Å; N74-W77 PolarHBondContact O-N 2.85Å; N74-W77 PolarHBondContact OD1-N 3.18Å; W77-W111 AromaticContact CD1-CZ2 4Å; W77-W111 HydrophobicContact CD2-CH2 4.34Å; W77-W111 AromaticContact CD2-CZ2 3.56Å; W77-W111 HydrophobicContact CD2-CZ2 3.56Å; W77-W111 AromaticContact CE2-CZ2 3.49Å; W77-W111 VanDerWaalsContact CE2-CZ2 3.49Å; W77-W111 HydrophobicContact CE3-CH2 4.43Å; W77-W111 AromaticContact CE3-CZ2 3.96Å; W77-W111 HydrophobicContact CE3-CZ2 3.96Å; W77-W111 AromaticContact CG-CZ2 3.93Å; W77-W111 HydrophobicContact CG-CZ2 3.93Å; W77-W111 HydrophobicContact CH2-CH2 4.09Å; W77-W111 HydrophobicContact CH2-CZ2 4.25Å; W77-W111 AromaticContact CZ2-CH2 3.97Å; W77-W111 HydrophobicContact CZ2-CH2 3.97Å; W77-W111 AromaticContact CZ2-CZ2 3.87Å; W77-W111 HydrophobicContact CZ2-CZ2 3.87Å; W77-W111 HydrophobicContact CZ3-CH2 4.31Å; W77-W111 HydrophobicContact CZ3-CZ2 4.28Å; W77-W111 AromaticContact NE1-CZ2 3.75Å; W77-W111 PolarHBondContact O-NE1 3.41Å; W77-T116 HydrophobicContact CB-CG2 4.33Å; W77-A119 HydrophobicContact CH2-CB 3.87Å; W77-A119 HydrophobicContact CZ3-CB 3.57Å
78	H	98.3	Very high	97.2	Very high	132 Å²	132	71.7 Å²	71.7	61%	0.611	39%	0.386	S	S	*	.			trans	-69.5	148.6	-178.9	-57.1	-51.7	0	0	0	112.5	S75 S76	S75-H78 PolarHBondContact O-CE1 2.93Å; S76-H78 PolarHBondContact O-N 2.8Å
79	F	98.6	Very high	97.4	Very high	32 Å²	32	73.6 Å²	73.6	14%	0.14	40%	0.401	C	S	.	.			trans	-58.9	138.2	173.1	174	-99.5	0	0	0	111.3	A81 I84 F104 W107 K108 W111 Q127 F131	F79-A81 HydrophobicContact CE1-CB 3.93Å; F79-A81 HydrophobicContact CZ-CB 4.21Å; F79-I84 HydrophobicContact CE2-CD1 3.79Å; F79-I84 HydrophobicContact CE2-CG1 4.42Å; F79-I84 HydrophobicContact CZ-CD1 3.79Å; F79-I84 HydrophobicContact CZ-CG1 4.34Å; F79-F104 HydrophobicContact CE1-CB 4Å; F79-F104 HydrophobicContact CE1-CG 4.48Å; F79-W107 HydrophobicContact CE2-CB 4.13Å; F79-W107 HydrophobicContact CZ-CB 4.2Å; F79-W107 HydrophobicContact CZ-CE3 4.44Å; F79-K108 HydrophobicContact CB-CB 3.93Å; F79-K108 HydrophobicContact CB-CG 3.92Å; F79-K108 HydrophobicContact CD1-CB 3.97Å; F79-K108 HydrophobicContact CG-CB 4.02Å; F79-W111 HydrophobicContact CB-CB 4.32Å; F79-W111 HydrophobicContact CB-CG 4.26Å; F79-W111 HydrophobicContact CD2-CB 4.01Å; F79-W111 HydrophobicContact CD2-CG 4.28Å; F79-Q127 VanDerWaalsContact CA-OE1 3.25Å; F79-F131 HydrophobicContact CD2-CE2 4.07Å; F79-F131 HydrophobicContact CD2-CZ 4.31Å; F79-F131 AromaticContact CE2-CE2 3.8Å; F79-F131 HydrophobicContact CE2-CE2 3.8Å; F79-F131 HydrophobicContact CE2-CZ 4.04Å
80	N	98.5	Very high	97.6	Very high	63 Å²	63	71.4 Å²	71.4	34%	0.337	39%	0.394	S	S	.	.			trans	-134.7	108.3	178.3	-176.3	6.2	0	0	0	110.4	T82 E83	N80-T82 VanDerWaalsContact CG-OG1 3.31Å; N80-T82 PolarHBondContact ND2-OG1 2.88Å; N80-T82 VanDerWaalsContact ND2-OG1 3.09Å; N80-T82 PolarHBondContact O-N 3.37Å; N80-T82 VanDerWaalsContact O-N 3.16Å; N80-T82 PolarHBondContact OD1-N 2.83Å; N80-T82 PolarHBondContact OD1-OG1 2.77Å; N80-E83 HydrophobicContact CB-CG 4.23Å; N80-E83 PolarHBondContact ND2-OE1 3.45Å; N80-E83 WeakPolarHBondContact O-CB 3.45Å; N80-E83 PolarHBondContact O-N 3Å
81	A	97.8	Very high	97.9	Very high	27 Å²	27	69.6 Å²	69.6	22%	0.223	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26.2	-177.1	0	0	0	0	0	113.5	F79 E83 I84 E85 F104	F79-A81 HydrophobicContact CE1-CB 3.93Å; F79-A81 HydrophobicContact CZ-CB 4.21Å; A81-E83 PolarHBondContact O-N 3.25Å; A81-I84 WeakPolarHBondContact O-CG1 3.45Å; A81-I84 PolarHBondContact O-N 2.77Å; A81-E85 PolarHBondContact O-N 3.47Å; A81-F104 HydrophobicContact CB-CD2 4.24Å; A81-F104 HydrophobicContact CB-CE2 4.15Å
82	T	98.4	Very high	97.9	Very high	99 Å²	99	69.7 Å²	69.7	61%	0.607	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.8	178.4	66.9	0	0	0	0	112.5	N80 I84	N80-T82 VanDerWaalsContact CG-OG1 3.31Å; N80-T82 PolarHBondContact ND2-OG1 2.88Å; N80-T82 VanDerWaalsContact ND2-OG1 3.09Å; N80-T82 PolarHBondContact O-N 3.37Å; N80-T82 VanDerWaalsContact O-N 3.16Å; N80-T82 PolarHBondContact OD1-N 2.83Å; N80-T82 PolarHBondContact OD1-OG1 2.77Å; T82-I84 PolarHBondContact O-N 2.98Å
83	E	98.6	Very high	97.9	Very high	72 Å²	72	70.9 Å²	70.9	34%	0.336	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-76.4	-10.3	177.3	-70.7	177.1	-143.4	0	0	113	N80 A81 Q127 H128	N80-E83 HydrophobicContact CB-CG 4.23Å; N80-E83 PolarHBondContact ND2-OE1 3.45Å; N80-E83 WeakPolarHBondContact O-CB 3.45Å; N80-E83 PolarHBondContact O-N 3Å; A81-E83 PolarHBondContact O-N 3.25Å; E83-Q127 HydrophobicContact CB-CB 4.18Å; E83-Q127 PolarHBondContact OE1-NE2 3.41Å; E83-Q127 WeakPolarHBondContact OE2-CG 3.43Å; E83-Q127 PolarHBondContact OE2-NE2 2.65Å; E83-H128 WeakPolarHBondContact O-CB 3.45Å; E83-H128 PolarHBondContact O-CD2 3.24Å
84	I	98.5	Very high	97.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-131.3	19.2	-177.3	66	159.7	0	0	0	112.6	F79 A81 T82 D86 L87 I88 W107 Q127 F131	F79-I84 HydrophobicContact CE2-CD1 3.79Å; F79-I84 HydrophobicContact CE2-CG1 4.42Å; F79-I84 HydrophobicContact CZ-CD1 3.79Å; F79-I84 HydrophobicContact CZ-CG1 4.34Å; A81-I84 WeakPolarHBondContact O-CG1 3.45Å; A81-I84 PolarHBondContact O-N 2.77Å; T82-I84 PolarHBondContact O-N 2.98Å; I84-D86 PolarHBondContact O-N 2.89Å; I84-L87 HydrophobicContact CB-CB 4.36Å; I84-L87 HydrophobicContact CB-CD1 4.21Å; I84-L87 HydrophobicContact CB-CG 4.49Å; I84-L87 HydrophobicContact CG2-CD1 4.29Å; I84-L87 WeakPolarHBondContact O-CA 3.42Å; I84-L87 WeakPolarHBondContact O-CB 3.26Å; I84-L87 PolarHBondContact O-N 2.95Å; I84-I88 HydrophobicContact CG1-CG1 4.49Å; I84-I88 WeakPolarHBondContact O-CG1 3.33Å; I84-I88 PolarHBondContact O-N 2.67Å; I84-W107 HydrophobicContact CD1-CE3 4.19Å; I84-Q127 HydrophobicContact CG2-CB 4.11Å; I84-F131 HydrophobicContact CD1-CD2 4.3Å; I84-F131 HydrophobicContact CG2-CB 4.4Å; I84-F131 HydrophobicContact CG2-CD2 3.81Å; I84-F131 HydrophobicContact CG2-CG 4.44Å
85	E	98.4	Very high	98	Very high	139 Å²	139	66.4 Å²	66.4	65%	0.65	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-54.6	-39.6	-171.9	-175.3	173.7	-164.6	0	0	112.6	A81 L87 I88	A81-E85 PolarHBondContact O-N 3.47Å; E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 2.64Å; E85-I88 PolarHBondContact O-N 3.21Å
86	D	98.7	Very high	98	Very high	104 Å²	104	62.1 Å²	62.1	56%	0.556	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-66.3	-26.5	176.6	62.7	-53.6	0	0	0	113.5	I84 H128	I84-D86 PolarHBondContact O-N 2.89Å; D86-H128 VanDerWaalsContact CG-NE2 3.35Å; D86-H128 IonicContact OD1-CD2 3.5Å; D86-H128 PolarHBondContact OD1-CD2 3.42Å; D86-H128 VanDerWaalsContact OD1-CD2 3.31Å; D86-H128 IonicContact OD1-NE2 3.85Å; D86-H128 PolarHBondContact OD1-NE2 3.45Å; D86-H128 VanDerWaalsContact OD1-NE2 3.12Å; D86-H128 IonicContact OD2-CD2 3.99Å; D86-H128 IonicContact OD2-CE1 2.64Å; D86-H128 IonicContact OD2-NE2 3.59Å; D86-H128 PolarHBondContact OD2-NE2 3.45Å
87	L	98.8	Very high	97.9	Very high	15 Å²	15	58.4 Å²	58.4	8%	0.079	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-88.5	-17.5	-179.5	-51.7	-179.2	0	0	0	113	I84 E85 P89 D90 M91 F131 L135	I84-L87 HydrophobicContact CB-CB 4.36Å; I84-L87 HydrophobicContact CB-CD1 4.21Å; I84-L87 HydrophobicContact CB-CG 4.49Å; I84-L87 HydrophobicContact CG2-CD1 4.29Å; I84-L87 WeakPolarHBondContact O-CA 3.42Å; I84-L87 WeakPolarHBondContact O-CB 3.26Å; I84-L87 PolarHBondContact O-N 2.95Å; E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 2.64Å; L87-P89 VanDerWaalsContact C-CD 3.43Å; L87-P89 VanDerWaalsContact C-N 3.35Å; L87-D90 PolarHBondContact O-N 2.84Å; L87-D90 VanDerWaalsContact O-N 3.09Å; L87-M91 HydrophobicContact CB-CG 4.17Å; L87-M91 VanDerWaalsContact O-CG 3.28Å; L87-M91 WeakPolarHBondContact O-CG 3.35Å; L87-M91 PolarHBondContact O-N 3.28Å; L87-F131 HydrophobicContact CD1-CB 3.89Å; L87-L135 HydrophobicContact CB-CD1 4.13Å; L87-L135 HydrophobicContact CD2-CD1 4.28Å
88	I	98.3	Very high	97.6	Very high	28 Å²	28	55 Å²	55	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-52.3	-43.1	-174	-68.4	176.8	0	0	0	113.3	I84 E85 D90 M91 K92 F104 W107	I84-I88 HydrophobicContact CG1-CG1 4.49Å; I84-I88 WeakPolarHBondContact O-CG1 3.33Å; I84-I88 PolarHBondContact O-N 2.67Å; E85-I88 PolarHBondContact O-N 3.21Å; I88-D90 VanDerWaalsContact C-N 3.34Å; I88-D90 PolarHBondContact O-N 2.9Å; I88-M91 PolarHBondContact O-N 3.28Å; I88-K92 HydrophobicContact CG2-CD 4.17Å; I88-K92 HydrophobicContact CG2-CG 4.28Å; I88-K92 WeakPolarHBondContact O-CG 3.36Å; I88-K92 PolarHBondContact O-N 3.31Å; I88-F104 HydrophobicContact CD1-CE1 4.3Å; I88-F104 HydrophobicContact CD1-CZ 4.07Å; I88-F104 HydrophobicContact CG2-CE1 4.43Å; I88-W107 HydrophobicContact CG1-CZ3 4.36Å; I88-W107 HydrophobicContact CG2-CH2 4.47Å; I88-W107 HydrophobicContact CG2-CZ3 4.49Å
89	P	97.9	Very high	97.4	Very high	88 Å²	88	53.4 Å²	53.4	57%	0.571	28%	0.278	S	S	*	.	H	α-helix	trans	-58.9	-43.6	178.4	-25.4	36.1	0	0	0	113.1	L87 K93	L87-P89 VanDerWaalsContact C-CD 3.43Å; L87-P89 VanDerWaalsContact C-N 3.35Å; P89-K93 PolarHBondContact O-N 2.9Å
90	D	98.3	Very high	97	Very high	73 Å²	73	55.8 Å²	55.8	39%	0.39	29%	0.293	S	S	.	.	H	α-helix	trans	-71.8	-42.4	178.2	-71.7	-31.2	0	0	0	111.1	L87 I88 K92 K93 V94 L135	L87-D90 PolarHBondContact O-N 2.84Å; L87-D90 VanDerWaalsContact O-N 3.09Å; I88-D90 VanDerWaalsContact C-N 3.34Å; I88-D90 PolarHBondContact O-N 2.9Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 2.72Å; D90-K93 WeakPolarHBondContact O-CA 3.47Å; D90-K93 WeakPolarHBondContact O-CB 3.46Å; D90-K93 PolarHBondContact O-N 3.47Å; D90-V94 WeakPolarHBondContact O-CG2 3.37Å; D90-V94 PolarHBondContact O-N 2.91Å; D90-L135 HydrophobicContact CB-CD1 3.96Å; D90-L135 HydrophobicContact CB-CD2 4.32Å
91	M	98	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-44	175.6	-70.2	-69.7	-61.3	0	0	112	L87 I88 K93 W95 W107 F131 L135	L87-M91 HydrophobicContact CB-CG 4.17Å; L87-M91 VanDerWaalsContact O-CG 3.28Å; L87-M91 WeakPolarHBondContact O-CG 3.35Å; L87-M91 PolarHBondContact O-N 3.28Å; I88-M91 PolarHBondContact O-N 3.28Å; M91-K93 PolarHBondContact O-N 3.04Å; M91-W95 HydrophobicContact CE-CB 4.03Å; M91-W95 HydrophobicContact CE-CD2 3.87Å; M91-W95 HydrophobicContact CE-CE3 3.63Å; M91-W95 HydrophobicContact CE-CG 4.05Å; M91-W95 HydrophobicContact CE-CZ3 4.36Å; M91-W95 CarbonylContact O-C 3.59Å; M91-W95 VanDerWaalsContact O-CA 3.26Å; M91-W95 WeakPolarHBondContact O-CA 3.37Å; M91-W95 PolarHBondContact O-N 3.42Å; M91-W95 HydrophobicContact SD-CB 4.27Å; M91-W95 HydrophobicContact SD-CD2 4.44Å; M91-W95 HydrophobicContact SD-CE3 3.77Å; M91-W107 HydrophobicContact CB-CD2 4.47Å; M91-W107 HydrophobicContact CB-CE3 4.47Å; M91-W107 HydrophobicContact CB-CH2 3.47Å; M91-W107 VanDerWaalsContact CB-CH2 3.47Å; M91-W107 HydrophobicContact CB-CZ2 3.46Å; M91-W107 VanDerWaalsContact CB-CZ2 3.46Å; M91-W107 HydrophobicContact CB-CZ3 3.97Å; M91-W107 HydrophobicContact CE-CB 4.43Å; M91-W107 HydrophobicContact CE-CD2 3.63Å; M91-W107 HydrophobicContact CE-CE3 4.27Å; M91-W107 HydrophobicContact CE-CG 3.64Å; M91-W107 HydrophobicContact CE-CZ2 4.35Å; M91-F131 HydrophobicContact CE-CD1 3.38Å; M91-F131 HydrophobicContact CE-CE1 3.65Å; M91-F131 HydrophobicContact CE-CG 4.29Å; M91-F131 HydrophobicContact SD-CB 4.24Å; M91-F131 HydrophobicContact SD-CD1 3.83Å; M91-F131 HydrophobicContact SD-CG 4.38Å; M91-L135 HydrophobicContact CG-CD1 4.29Å; M91-L135 HydrophobicContact SD-CD1 4.15Å; M91-L135 HydrophobicContact SD-CD2 4.02Å; M91-L135 HydrophobicContact SD-CG 4.17Å
92	K	97.1	Very high	96.1	Very high	111 Å²	111	59.6 Å²	59.6	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-29.3	175.8	-75.7	-175.9	175.9	179.1	0	113.2	I88 D90 W107	I88-K92 HydrophobicContact CG2-CD 4.17Å; I88-K92 HydrophobicContact CG2-CG 4.28Å; I88-K92 WeakPolarHBondContact O-CG 3.36Å; I88-K92 PolarHBondContact O-N 3.31Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 2.72Å; K92-W107 HydrophobicContact CG-CH2 3.88Å; K92-W107 HydrophobicContact CG-CZ2 4.35Å
93	K	96.2	Very high	95.8	Very high	127 Å²	127	56.4 Å²	56.4	55%	0.552	30%	0.302	S	S	*	.	H	α-helix	trans	-82.9	-55.3	-179.4	-176.6	-178.7	176.9	-174.9	0	111.2	Y59 P89 D90 M91	Y59-K93 WeakPolarHBondContact CE2-O 3.22Å; Y59-K93 PolarHBondContact OH-O 3.39Å; P89-K93 PolarHBondContact O-N 2.9Å; D90-K93 WeakPolarHBondContact O-CA 3.47Å; D90-K93 WeakPolarHBondContact O-CB 3.46Å; D90-K93 PolarHBondContact O-N 3.47Å; M91-K93 PolarHBondContact O-N 3.04Å
94	V	97.3	Very high	95.6	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-100.6	-18.6	-168.5	-51.9	0	0	0	0	113.7	T61 L62 D90 L135 Y138	T61-V94 CarbonylContact C-O 3.06Å; T61-V94 WeakPolarHBondContact CA-O 3.39Å; T61-V94 WeakPolarHBondContact CB-O 3.24Å; L62-V94 HydrophobicContact CD1-CG2 4.29Å; L62-V94 PolarHBondContact N-O 2.91Å; D90-V94 WeakPolarHBondContact O-CG2 3.37Å; D90-V94 PolarHBondContact O-N 2.91Å; V94-L135 HydrophobicContact CG2-CD2 3.19Å; V94-Y138 HydrophobicContact CB-CD1 3.97Å; V94-Y138 HydrophobicContact CB-CE1 3.65Å; V94-Y138 HydrophobicContact CG1-CD1 4.06Å; V94-Y138 HydrophobicContact CG1-CE1 3.52Å; V94-Y138 HydrophobicContact CG2-CD1 4.18Å; V94-Y138 HydrophobicContact CG2-CE1 4.35Å
95	W	98.1	Very high	95.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-126.6	47	178.7	-157.1	-16.1	0	0	0	112.6	L62 H63 L65 M91 F106 W107 E110 Y130 F131 A134	L62-W95 HydrophobicContact CB-CB 3.8Å; L62-W95 HydrophobicContact CB-CD2 3.68Å; L62-W95 HydrophobicContact CB-CE3 4.27Å; L62-W95 HydrophobicContact CB-CG 3.45Å; L62-W95 VanDerWaalsContact CB-CG 3.45Å; L62-W95 HydrophobicContact CD1-CB 4.17Å; L62-W95 HydrophobicContact CD1-CD2 3.9Å; L62-W95 HydrophobicContact CD1-CE3 3.61Å; L62-W95 HydrophobicContact CD1-CG 4.17Å; L62-W95 HydrophobicContact CD1-CZ3 4.32Å; L62-W95 HydrophobicContact CG-CD2 4.43Å; L62-W95 HydrophobicContact CG-CG 4.46Å; H63-W95 VanDerWaalsContact C-NE1 3.31Å; H63-W95 PolarHBondContact O-NE1 2.85Å; L65-W95 HydrophobicContact CB-CH2 4.47Å; M91-W95 HydrophobicContact CE-CB 4.03Å; M91-W95 HydrophobicContact CE-CD2 3.87Å; M91-W95 HydrophobicContact CE-CE3 3.63Å; M91-W95 HydrophobicContact CE-CG 4.05Å; M91-W95 HydrophobicContact CE-CZ3 4.36Å; M91-W95 CarbonylContact O-C 3.59Å; M91-W95 VanDerWaalsContact O-CA 3.26Å; M91-W95 WeakPolarHBondContact O-CA 3.37Å; M91-W95 PolarHBondContact O-N 3.42Å; M91-W95 HydrophobicContact SD-CB 4.27Å; M91-W95 HydrophobicContact SD-CD2 4.44Å; M91-W95 HydrophobicContact SD-CE3 3.77Å; W95-F106 AromaticContact CD1-CE1 3.43Å; W95-F106 VanDerWaalsContact CD1-CE1 3.43Å; W95-F106 AromaticContact NE1-CE1 3.35Å; W95-F106 VanDerWaalsContact NE1-CE1 3.35Å; W95-F106 AromaticContact NE1-CZ 3.83Å; W95-W107 PolarHBondContact O-NE1 2.88Å; W95-E110 HydrophobicContact CZ2-CB 4.07Å; W95-E110 HydrophobicContact CZ2-CG 3.93Å; W95-Y130 HydrophobicContact CH2-CE1 4.05Å; W95-F131 HydrophobicContact CE3-CD1 4.1Å; W95-F131 HydrophobicContact CE3-CE1 4.49Å; W95-F131 HydrophobicContact CH2-CD1 4.18Å; W95-F131 HydrophobicContact CH2-CE1 4.15Å; W95-F131 AromaticContact CZ3-CD1 3.64Å; W95-F131 HydrophobicContact CZ3-CD1 3.64Å; W95-F131 HydrophobicContact CZ3-CE1 4.03Å; W95-A134 HydrophobicContact CE3-CB 4.1Å; W95-A134 HydrophobicContact CH2-CB 4.03Å; W95-A134 HydrophobicContact CZ3-CB 3.32Å
96	P	96.4	Very high	95.5	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.039	31%	0.306	C	S	.	.			trans	-67.7	150.9	-177.5	30.2	-36.2	0	0	0	112.4	I57 T61 L98	I57-P96 HydrophobicContact CD1-CG 3.9Å; T61-P96 HydrophobicContact CG2-CG 3.89Å; P96-L98 HydrophobicContact CG-CD2 3.9Å; P96-L98 PolarHBondContact O-N 2.04Å
97	D	94.7	Very high	95.5	Very high	18 Å²	18	52.7 Å²	52.7	10%	0.096	28%	0.28	C	S	.	.			trans	-71.2	112.9	156.5	-177.9	-25.6	0	0	0	108	L99 N100 P101 F106	D97-L99 PolarHBondContact O-N 3.28Å; D97-L99 WeakPolarHBondContact OD1-CA 3.46Å; D97-L99 PolarHBondContact OD1-N 2.84Å; D97-N100 WeakPolarHBondContact CB-O 3.34Å; D97-N100 CarbonylContact O-C 3.48Å; D97-N100 PolarHBondContact OD1-N 2.63Å; D97-P101 VanDerWaalsContact O-CA 3.24Å; D97-P101 WeakPolarHBondContact O-CA 3.48Å; D97-P101 WeakPolarHBondContact O-CD 3.47Å; D97-P101 WeakPolarHBondContact O-CG 3.24Å; D97-P101 VanDerWaalsContact O-N 3.11Å; D97-F106 HydrophobicContact CB-CB 3.67Å; D97-F106 HydrophobicContact CB-CD1 4.38Å; D97-F106 HydrophobicContact CB-CG 4.36Å
98	L	93.4	Very high	95.5	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.3	C	S	.	.	S	Bend	trans	-71.6	-17.9	-176.7	-61.9	-178	0	0	0	113	Q42 P44 F47 L55 I57 P96	Q42-L98 HydrophobicContact CG-CD1 4.23Å; P44-L98 HydrophobicContact CB-CD1 4.2Å; P44-L98 HydrophobicContact CB-CD2 4.16Å; P44-L98 HydrophobicContact CG-CD1 4.46Å; P44-L98 HydrophobicContact CG-CD2 4.22Å; F47-L98 HydrophobicContact CB-CD1 3.91Å; F47-L98 HydrophobicContact CD1-CB 3.68Å; F47-L98 HydrophobicContact CD1-CD1 3.54Å; F47-L98 HydrophobicContact CD1-CG 4.27Å; F47-L98 HydrophobicContact CD2-CD1 4.34Å; F47-L98 HydrophobicContact CE1-CB 3.53Å; F47-L98 HydrophobicContact CE1-CD1 4.13Å; F47-L98 HydrophobicContact CE1-CG 4.45Å; F47-L98 HydrophobicContact CG-CD1 3.67Å; F47-L98 HydrophobicContact CZ-CB 4.3Å; L55-L98 HydrophobicContact CD1-CB 3.66Å; L55-L98 HydrophobicContact CD1-CD2 3.42Å; L55-L98 VanDerWaalsContact CD1-CD2 3.42Å; L55-L98 HydrophobicContact CD1-CG 4.08Å; L55-L98 WeakPolarHBondContact CD1-O 3.46Å; I57-L98 HydrophobicContact CD1-CD2 4.04Å; P96-L98 HydrophobicContact CG-CD2 3.9Å; P96-L98 PolarHBondContact O-N 2.04Å
99	L	92.2	Very high	95.5	Very high	98 Å²	98	60.9 Å²	60.9	51%	0.513	31%	0.312	S	S	.	.	S	Bend	trans	-92.2	-37.8	175.8	-60.3	178.9	0	0	0	111.5	F47 E51 C53 D97	F47-L99 HydrophobicContact CE1-CD2 3.73Å; F47-L99 HydrophobicContact CE1-CG 3.96Å; F47-L99 HydrophobicContact CZ-CD1 4.36Å; F47-L99 HydrophobicContact CZ-CD2 4.16Å; F47-L99 HydrophobicContact CZ-CG 4.02Å; E51-L99 HydrophobicContact CB-CD2 3.75Å; E51-L99 HydrophobicContact CG-CD2 4.45Å; C53-L99 HydrophobicContact CB-CD2 4.13Å; D97-L99 PolarHBondContact O-N 3.28Å; D97-L99 WeakPolarHBondContact OD1-CA 3.46Å; D97-L99 PolarHBondContact OD1-N 2.84Å
100	N	91.3	Very high	95.5	Very high	82 Å²	82	56.7 Å²	56.7	44%	0.439	29%	0.285	S	S	.	.			trans	-140	79.7	-178.9	-169.6	-11.6	0	0	0	111.9	D97 S102 S103	D97-N100 WeakPolarHBondContact CB-O 3.34Å; D97-N100 CarbonylContact O-C 3.48Å; D97-N100 PolarHBondContact OD1-N 2.63Å; N100-S102 PolarHBondContact O-N 3.49Å; N100-S103 VanDerWaalsContact O-CB 3.26Å; N100-S103 WeakPolarHBondContact O-CB 2.86Å; N100-S103 PolarHBondContact O-N 2.83Å
101	P	88.3	Confident	95.5	Very high	62 Å²	62	53.2 Å²	53.2	40%	0.403	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.1	-173.1	-25.9	33.4	0	0	0	115.8	L55 D97	L55-P101 HydrophobicContact CD2-CG 3.9Å; D97-P101 VanDerWaalsContact O-CA 3.24Å; D97-P101 WeakPolarHBondContact O-CA 3.48Å; D97-P101 WeakPolarHBondContact O-CD 3.47Å; D97-P101 WeakPolarHBondContact O-CG 3.24Å; D97-P101 VanDerWaalsContact O-N 3.11Å
102	S	88.1	Confident	95.6	Very high	107 Å²	107	55 Å²	55	75%	0.748	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.6	177.7	-59.6	0	0	0	0	113.3	N100	N100-S102 PolarHBondContact O-N 3.49Å
103	S	92.6	Very high	95.6	Very high	32 Å²	32	50.2 Å²	50.2	22%	0.224	26%	0.258	C	S	.	.			trans	-94.8	147.7	-173.3	-174.4	0	0	0	0	112.4	N100 H105	N100-S103 VanDerWaalsContact O-CB 3.26Å; N100-S103 WeakPolarHBondContact O-CB 2.86Å; N100-S103 PolarHBondContact O-N 2.83Å; S103-H105 VanDerWaalsContact C-N 3.33Å; S103-H105 WeakPolarHBondContact OG-CB 3.42Å; S103-H105 PolarHBondContact OG-N 3.38Å
104	F	95.8	Very high	95.7	Very high	79 Å²	79	44.6 Å²	44.6	35%	0.346	23%	0.234	S	C	.	.	S	Bend	trans	-91.1	3.6	167.2	-58.6	-46	0	0	0	113	F79 A81 I88 F106 W107 K108	F79-F104 HydrophobicContact CE1-CB 4Å; F79-F104 HydrophobicContact CE1-CG 4.48Å; A81-F104 HydrophobicContact CB-CD2 4.24Å; A81-F104 HydrophobicContact CB-CE2 4.15Å; I88-F104 HydrophobicContact CD1-CE1 4.3Å; I88-F104 HydrophobicContact CD1-CZ 4.07Å; I88-F104 HydrophobicContact CG2-CE1 4.43Å; F104-F106 VanDerWaalsContact C-N 3.3Å; F104-F106 PolarHBondContact O-N 3.13Å; F104-W107 HydrophobicContact CD1-CD2 4.39Å; F104-W107 AromaticContact CD1-CE3 3.4Å; F104-W107 HydrophobicContact CD1-CE3 3.4Å; F104-W107 VanDerWaalsContact CD1-CE3 3.4Å; F104-W107 HydrophobicContact CD1-CH2 4.06Å; F104-W107 AromaticContact CD1-CZ3 3.23Å; F104-W107 HydrophobicContact CD1-CZ3 3.23Å; F104-W107 AromaticContact CE1-CE3 3.98Å; F104-W107 HydrophobicContact CE1-CE3 3.98Å; F104-W107 HydrophobicContact CE1-CH2 4.04Å; F104-W107 AromaticContact CE1-CZ3 3.33Å; F104-W107 HydrophobicContact CE1-CZ3 3.33Å; F104-W107 HydrophobicContact CG-CE3 4.36Å; F104-W107 HydrophobicContact CG-CZ3 4.49Å; F104-W107 PolarHBondContact O-N 2.85Å; F104-K108 WeakPolarHBondContact O-CB 3.32Å; F104-K108 PolarHBondContact O-N 2.85Å
105	H	96.4	Very high	95.8	Very high	126 Å²	126	43.8 Å²	43.8	58%	0.583	23%	0.229	S	C	*	.	H	α-helix	trans	-58	-43.3	-175.1	-179.3	-133.5	0	0	0	112	S103 K108 Y109	S103-H105 VanDerWaalsContact C-N 3.33Å; S103-H105 WeakPolarHBondContact OG-CB 3.42Å; S103-H105 PolarHBondContact OG-N 3.38Å; H105-K108 WeakPolarHBondContact O-CB 3.48Å; H105-K108 PolarHBondContact O-N 2.9Å; H105-Y109 PolarHBondContact O-N 2.93Å
106	F	97.4	Very high	95.8	Very high	30 Å²	30	44 Å²	44	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-48	178.5	-176.1	-136.3	0	0	0	112.4	H63 W95 D97 F104 K108 Y109 E110	H63-F106 AromaticContact CD2-CE2 3.97Å; H63-F106 AromaticContact CD2-CZ 3.66Å; H63-F106 WeakPolarHBondContact O-CZ 3.41Å; W95-F106 AromaticContact CD1-CE1 3.43Å; W95-F106 VanDerWaalsContact CD1-CE1 3.43Å; W95-F106 AromaticContact NE1-CE1 3.35Å; W95-F106 VanDerWaalsContact NE1-CE1 3.35Å; W95-F106 AromaticContact NE1-CZ 3.83Å; D97-F106 HydrophobicContact CB-CB 3.67Å; D97-F106 HydrophobicContact CB-CD1 4.38Å; D97-F106 HydrophobicContact CB-CG 4.36Å; F104-F106 VanDerWaalsContact C-N 3.3Å; F104-F106 PolarHBondContact O-N 3.13Å; F106-K108 VanDerWaalsContact C-N 3.3Å; F106-K108 PolarHBondContact O-N 3.36Å; F106-Y109 WeakPolarHBondContact O-CB 3.48Å; F106-Y109 PolarHBondContact O-N 3.08Å; F106-E110 HydrophobicContact CD2-CG 4.14Å; F106-E110 HydrophobicContact CE2-CG 3.83Å; F106-E110 HydrophobicContact CZ-CG 4.09Å; F106-E110 WeakPolarHBondContact O-CG 3.42Å; F106-E110 PolarHBondContact O-N 2.84Å
107	W	98.6	Very high	95.8	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.011	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-35.2	178	-51.1	-24.6	0	0	0	112.4	F79 I84 I88 M91 K92 W95 F104 Y109 E110 W111 F131	F79-W107 HydrophobicContact CE2-CB 4.13Å; F79-W107 HydrophobicContact CZ-CB 4.2Å; F79-W107 HydrophobicContact CZ-CE3 4.44Å; I84-W107 HydrophobicContact CD1-CE3 4.19Å; I88-W107 HydrophobicContact CG1-CZ3 4.36Å; I88-W107 HydrophobicContact CG2-CH2 4.47Å; I88-W107 HydrophobicContact CG2-CZ3 4.49Å; M91-W107 HydrophobicContact CB-CD2 4.47Å; M91-W107 HydrophobicContact CB-CE3 4.47Å; M91-W107 HydrophobicContact CB-CH2 3.47Å; M91-W107 VanDerWaalsContact CB-CH2 3.47Å; M91-W107 HydrophobicContact CB-CZ2 3.46Å; M91-W107 VanDerWaalsContact CB-CZ2 3.46Å; M91-W107 HydrophobicContact CB-CZ3 3.97Å; M91-W107 HydrophobicContact CE-CB 4.43Å; M91-W107 HydrophobicContact CE-CD2 3.63Å; M91-W107 HydrophobicContact CE-CE3 4.27Å; M91-W107 HydrophobicContact CE-CG 3.64Å; M91-W107 HydrophobicContact CE-CZ2 4.35Å; K92-W107 HydrophobicContact CG-CH2 3.88Å; K92-W107 HydrophobicContact CG-CZ2 4.35Å; W95-W107 PolarHBondContact O-NE1 2.88Å; F104-W107 HydrophobicContact CD1-CD2 4.39Å; F104-W107 AromaticContact CD1-CE3 3.4Å; F104-W107 HydrophobicContact CD1-CE3 3.4Å; F104-W107 VanDerWaalsContact CD1-CE3 3.4Å; F104-W107 HydrophobicContact CD1-CH2 4.06Å; F104-W107 AromaticContact CD1-CZ3 3.23Å; F104-W107 HydrophobicContact CD1-CZ3 3.23Å; F104-W107 AromaticContact CE1-CE3 3.98Å; F104-W107 HydrophobicContact CE1-CE3 3.98Å; F104-W107 HydrophobicContact CE1-CH2 4.04Å; F104-W107 AromaticContact CE1-CZ3 3.33Å; F104-W107 HydrophobicContact CE1-CZ3 3.33Å; F104-W107 HydrophobicContact CG-CE3 4.36Å; F104-W107 HydrophobicContact CG-CZ3 4.49Å; F104-W107 PolarHBondContact O-N 2.85Å; W107-Y109 VanDerWaalsContact C-N 3.31Å; W107-Y109 PolarHBondContact O-N 3.39Å; W107-E110 PolarHBondContact O-N 2.61Å; W107-W111 VanDerWaalsContact O-CB 3.26Å; W107-W111 WeakPolarHBondContact O-CB 3.37Å; W107-W111 PolarHBondContact O-N 2.91Å; W107-F131 HydrophobicContact CB-CE1 4.15Å; W107-F131 HydrophobicContact CB-CZ 4.07Å
108	K	98.6	Very high	95.9	Very high	116 Å²	116	43 Å²	43	50%	0.504	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-42.3	171.6	173	176.4	179.3	-178.2	0	111.5	F79 F104 H105 F106 S112	F79-K108 HydrophobicContact CB-CB 3.93Å; F79-K108 HydrophobicContact CB-CG 3.92Å; F79-K108 HydrophobicContact CD1-CB 3.97Å; F79-K108 HydrophobicContact CG-CB 4.02Å; F104-K108 WeakPolarHBondContact O-CB 3.32Å; F104-K108 PolarHBondContact O-N 2.85Å; H105-K108 WeakPolarHBondContact O-CB 3.48Å; H105-K108 PolarHBondContact O-N 2.9Å; F106-K108 VanDerWaalsContact C-N 3.3Å; F106-K108 PolarHBondContact O-N 3.36Å; K108-S112 VanDerWaalsContact O-CB 3.3Å; K108-S112 WeakPolarHBondContact O-CB 3.36Å; K108-S112 PolarHBondContact O-N 3.36Å
109	Y	98.2	Very high	96.1	Very high	98 Å²	98	43.2 Å²	43.2	38%	0.384	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-50.7	176.9	178.2	-97.4	0	0	0	111.3	F72 H105 F106 W107 W111 S112 K113	F72-Y109 HydrophobicContact CZ-CE2 4.36Å; H105-Y109 PolarHBondContact O-N 2.93Å; F106-Y109 WeakPolarHBondContact O-CB 3.48Å; F106-Y109 PolarHBondContact O-N 3.08Å; W107-Y109 VanDerWaalsContact C-N 3.31Å; W107-Y109 PolarHBondContact O-N 3.39Å; Y109-W111 VanDerWaalsContact C-N 3.32Å; Y109-W111 PolarHBondContact O-N 2.99Å; Y109-S112 PolarHBondContact O-N 3.09Å; Y109-K113 HydrophobicContact CE1-CD 3.71Å; Y109-K113 HydrophobicContact CE2-CD 4.17Å; Y109-K113 VanDerWaalsContact CZ-CD 3.43Å; Y109-K113 VanDerWaalsContact O-CB 3.28Å; Y109-K113 WeakPolarHBondContact O-CB 3.3Å; Y109-K113 PolarHBondContact O-N 3.43Å; Y109-K113 WeakPolarHBondContact OH-CD 3.29Å; Y109-K113 PolarHBondContact OH-NZ 3.18Å
110	E	98.7	Very high	96.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-42.1	178.7	-71.7	-59.3	122.8	0	0	112	W66 W95 F106 W107 H114 G115	W66-E110 PolarHBondContact NE1-OE2 2.95Å; W95-E110 HydrophobicContact CZ2-CB 4.07Å; W95-E110 HydrophobicContact CZ2-CG 3.93Å; F106-E110 HydrophobicContact CD2-CG 4.14Å; F106-E110 HydrophobicContact CE2-CG 3.83Å; F106-E110 HydrophobicContact CZ-CG 4.09Å; F106-E110 WeakPolarHBondContact O-CG 3.42Å; F106-E110 PolarHBondContact O-N 2.84Å; W107-E110 PolarHBondContact O-N 2.61Å; E110-H114 WeakPolarHBondContact O-CA 3.29Å; E110-H114 WeakPolarHBondContact O-CB 3.46Å; E110-H114 PolarHBondContact O-N 3.12Å; E110-H114 IonicContact OE2-CD2 2.81Å; E110-H114 PolarHBondContact OE2-CD2 3.04Å; E110-G115 PolarHBondContact O-N 3.5Å
111	W	98.8	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-61.5	-54.5	173	173.2	-105.7	0	0	0	111.6	W77 F79 W107 Y109 K113 G115 T116 A119 Q127 Y130 F131	W77-W111 AromaticContact CD1-CZ2 4Å; W77-W111 HydrophobicContact CD2-CH2 4.34Å; W77-W111 AromaticContact CD2-CZ2 3.56Å; W77-W111 HydrophobicContact CD2-CZ2 3.56Å; W77-W111 AromaticContact CE2-CZ2 3.49Å; W77-W111 VanDerWaalsContact CE2-CZ2 3.49Å; W77-W111 HydrophobicContact CE3-CH2 4.43Å; W77-W111 AromaticContact CE3-CZ2 3.96Å; W77-W111 HydrophobicContact CE3-CZ2 3.96Å; W77-W111 AromaticContact CG-CZ2 3.93Å; W77-W111 HydrophobicContact CG-CZ2 3.93Å; W77-W111 HydrophobicContact CH2-CH2 4.09Å; W77-W111 HydrophobicContact CH2-CZ2 4.25Å; W77-W111 AromaticContact CZ2-CH2 3.97Å; W77-W111 HydrophobicContact CZ2-CH2 3.97Å; W77-W111 AromaticContact CZ2-CZ2 3.87Å; W77-W111 HydrophobicContact CZ2-CZ2 3.87Å; W77-W111 HydrophobicContact CZ3-CH2 4.31Å; W77-W111 HydrophobicContact CZ3-CZ2 4.28Å; W77-W111 AromaticContact NE1-CZ2 3.75Å; W77-W111 PolarHBondContact O-NE1 3.41Å; F79-W111 HydrophobicContact CB-CB 4.32Å; F79-W111 HydrophobicContact CB-CG 4.26Å; F79-W111 HydrophobicContact CD2-CB 4.01Å; F79-W111 HydrophobicContact CD2-CG 4.28Å; W107-W111 VanDerWaalsContact O-CB 3.26Å; W107-W111 WeakPolarHBondContact O-CB 3.37Å; W107-W111 PolarHBondContact O-N 2.91Å; Y109-W111 VanDerWaalsContact C-N 3.32Å; Y109-W111 PolarHBondContact O-N 2.99Å; W111-K113 VanDerWaalsContact C-N 3.31Å; W111-K113 PolarHBondContact O-N 3.29Å; W111-G115 CarbonylContact O-C 3.57Å; W111-G115 WeakPolarHBondContact O-CA 3.5Å; W111-G115 PolarHBondContact O-N 3.02Å; W111-T116 HydrophobicContact CZ2-CG2 4.21Å; W111-T116 WeakPolarHBondContact O-CG2 3.37Å; W111-T116 PolarHBondContact O-N 2.85Å; W111-A119 HydrophobicContact CH2-CB 4.07Å; W111-Q127 HydrophobicContact CD2-CG 3.65Å; W111-Q127 VanDerWaalsContact CE2-CG 3.46Å; W111-Q127 HydrophobicContact CE3-CB 4.38Å; W111-Q127 HydrophobicContact CE3-CG 3.79Å; W111-Q127 HydrophobicContact CG-CG 4.42Å; W111-Q127 HydrophobicContact CH2-CB 4.38Å; W111-Q127 HydrophobicContact CH2-CG 3.61Å; W111-Q127 HydrophobicContact CZ2-CG 3.46Å; W111-Q127 VanDerWaalsContact CZ2-CG 3.46Å; W111-Q127 HydrophobicContact CZ3-CB 4.26Å; W111-Q127 HydrophobicContact CZ3-CG 3.78Å; W111-Y130 AromaticContact CE3-CD1 3.89Å; W111-Y130 HydrophobicContact CE3-CD1 3.89Å; W111-Y130 HydrophobicContact CE3-CG 4.27Å; W111-Y130 HydrophobicContact CZ3-CD1 4.22Å; W111-Y130 HydrophobicContact CZ3-CG 4.15Å; W111-F131 HydrophobicContact CB-CE2 4.16Å; W111-F131 HydrophobicContact CB-CZ 3.98Å; W111-F131 HydrophobicContact CE3-CE2 4.21Å
112	S	98.6	Very high	96.4	Very high	38 Å²	38	43.3 Å²	43.3	27%	0.266	23%	0.225	S	C	.	.	I	π-helix	trans	-61.5	-41.3	-175.4	-173.5	0	0	0	0	111.9	F72 K108 Y109 T116	F72-S112 WeakPolarHBondContact CA-O 3.16Å; K108-S112 VanDerWaalsContact O-CB 3.3Å; K108-S112 WeakPolarHBondContact O-CB 3.36Å; K108-S112 PolarHBondContact O-N 3.36Å; Y109-S112 PolarHBondContact O-N 3.09Å; S112-T116 PolarHBondContact O-OG1 2.95Å
113	K	98.3	Very high	96.8	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.043	21%	0.207	C	C	.	.	I	π-helix	trans	-82.1	-44.2	-174.4	-172.5	174.5	174.6	-160.8	0	112.4	E71 F72 Y109 W111	E71-K113 CarbonylContact C-O 3.49Å; E71-K113 VanDerWaalsContact CA-O 3.31Å; E71-K113 WeakPolarHBondContact CA-O 3.31Å; E71-K113 HydrophobicContact CB-CG 4.21Å; E71-K113 HydrophobicContact CG-CG 4.35Å; E71-K113 WeakPolarHBondContact OE1-CE 3.47Å; E71-K113 IonicContact OE1-NZ 3.12Å; E71-K113 PolarHBondContact OE1-NZ 3.5Å; E71-K113 WeakPolarHBondContact OE2-CE 3.45Å; F72-K113 HydrophobicContact CD1-CB 4.2Å; F72-K113 HydrophobicContact CD1-CG 4.47Å; F72-K113 HydrophobicContact CD2-CG 4.26Å; F72-K113 HydrophobicContact CE1-CB 3.76Å; F72-K113 HydrophobicContact CE1-CG 4.02Å; F72-K113 HydrophobicContact CE2-CB 4.45Å; F72-K113 HydrophobicContact CE2-CD 4.07Å; F72-K113 HydrophobicContact CE2-CG 3.79Å; F72-K113 HydrophobicContact CZ-CB 3.9Å; F72-K113 HydrophobicContact CZ-CD 3.82Å; F72-K113 HydrophobicContact CZ-CG 3.66Å; F72-K113 PolarHBondContact N-O 3.13Å; Y109-K113 HydrophobicContact CE1-CD 3.71Å; Y109-K113 HydrophobicContact CE2-CD 4.17Å; Y109-K113 VanDerWaalsContact CZ-CD 3.43Å; Y109-K113 VanDerWaalsContact O-CB 3.28Å; Y109-K113 WeakPolarHBondContact O-CB 3.3Å; Y109-K113 PolarHBondContact O-N 3.43Å; Y109-K113 WeakPolarHBondContact OH-CD 3.29Å; Y109-K113 PolarHBondContact OH-NZ 3.18Å; W111-K113 VanDerWaalsContact C-N 3.31Å; W111-K113 PolarHBondContact O-N 3.29Å
114	H	98.4	Very high	97	Very high	9 Å²	9	39.2 Å²	39.2	4%	0.042	20%	0.196	C	C	.	.	I	π-helix	trans	-116.9	-45.2	-170.4	-59.2	-64.4	0	0	0	112.8	W66 E71 E110 T116 C117 A118	W66-H114 AromaticContact CD1-CD2 3.21Å; W66-H114 AromaticContact CD1-CE1 3.93Å; W66-H114 AromaticContact CD1-CG 3.24Å; W66-H114 AromaticContact CD1-ND1 3.71Å; W66-H114 AromaticContact CD1-NE2 3.71Å; W66-H114 AromaticContact CE2-NE2 3.86Å; W66-H114 HydrophobicContact CG-CB 4.44Å; W66-H114 AromaticContact CG-CD2 3.98Å; W66-H114 AromaticContact CG-CE1 3.96Å; W66-H114 AromaticContact CG-CG 3.85Å; W66-H114 AromaticContact CG-ND1 3.85Å; W66-H114 AromaticContact NE1-CD2 3.18Å; W66-H114 PolarHBondContact NE1-CD2 3.28Å; W66-H114 AromaticContact NE1-CG 3.75Å; W66-H114 AromaticContact NE1-NE2 3.52Å; E71-H114 IonicContact OE1-CE1 2.84Å; E110-H114 WeakPolarHBondContact O-CA 3.29Å; E110-H114 WeakPolarHBondContact O-CB 3.46Å; E110-H114 PolarHBondContact O-N 3.12Å; E110-H114 IonicContact OE2-CD2 2.81Å; E110-H114 PolarHBondContact OE2-CD2 3.04Å; H114-T116 VanDerWaalsContact C-N 3.32Å; H114-T116 PolarHBondContact O-N 2.84Å; H114-C117 WeakPolarHBondContact O-CB 3.38Å; H114-C117 PolarHBondContact O-N 3.1Å; H114-C117 VanDerWaalsContact O-N 3.09Å; H114-A118 PolarHBondContact O-N 2.89Å
115	G	98.3	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-58.5	-39.9	-178.8	0	0	0	0	0	113.7	E110 W111 C117 A118 A119	E110-G115 PolarHBondContact O-N 3.5Å; W111-G115 CarbonylContact O-C 3.57Å; W111-G115 WeakPolarHBondContact O-CA 3.5Å; W111-G115 PolarHBondContact O-N 3.02Å; G115-C117 VanDerWaalsContact C-N 3.27Å; G115-C117 PolarHBondContact O-N 3.14Å; G115-A118 PolarHBondContact O-N 3.01Å; G115-A119 VanDerWaalsContact O-CB 3.31Å; G115-A119 WeakPolarHBondContact O-CB 3.48Å; G115-A119 PolarHBondContact O-N 2.86Å
116	T	98.2	Very high	97.2	Very high	5 Å²	5	34 Å²	34	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-30.4	177.3	58.2	0	0	0	0	113.6	C73 N74 W77 W111 S112 H114	C73-T116 PolarHBondContact N-OG1 3.1Å; N74-T116 HydrophobicContact CB-CG2 4.11Å; N74-T116 PolarHBondContact N-OG1 3.33Å; W77-T116 HydrophobicContact CB-CG2 4.33Å; W111-T116 HydrophobicContact CZ2-CG2 4.21Å; W111-T116 WeakPolarHBondContact O-CG2 3.37Å; W111-T116 PolarHBondContact O-N 2.85Å; S112-T116 PolarHBondContact O-OG1 2.95Å; H114-T116 VanDerWaalsContact C-N 3.32Å; H114-T116 PolarHBondContact O-N 2.84Å
117	C	97.3	Very high	97.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-79.4	-40.6	173.8	-56.6	0	0	0	0	111.2	W34 P67 C73 H114 G115 A119 E120	W34-C117 PolarHBondContact NE1-O 3.22Å; W34-C117 VanDerWaalsContact NE1-O 3.16Å; P67-C117 HydrophobicContact CG-CB 4.05Å; C73-C117 HydrophobicContact CB-CB 3.86Å; C73-C117 WeakPolarHBondContact CB-SG 3.11Å; C73-C117 PolarHBondContact N-SG 2.9Å; C73-C117 VanDerWaalsContact N-SG 3.42Å; C73-C117 VanDerWaalsContact SG-CA 3.53Å; C73-C117 WeakPolarHBondContact SG-CB 3.4Å; C73-C117 CovalentContact SG-SG 2.03Å; C73-C117 PolarHBondContact SG-SG 3.44Å; H114-C117 WeakPolarHBondContact O-CB 3.38Å; H114-C117 PolarHBondContact O-N 3.1Å; H114-C117 VanDerWaalsContact O-N 3.09Å; G115-C117 VanDerWaalsContact C-N 3.27Å; G115-C117 PolarHBondContact O-N 3.14Å; C117-A119 PolarHBondContact O-N 2.84Å; C117-E120 WeakPolarHBondContact O-CB 3.44Å; C117-E120 WeakPolarHBondContact O-CG 3.09Å; C117-E120 PolarHBondContact O-N 3.22Å
118	A	97	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-37.9	176.8	0	0	0	0	0	111.5	P67 H114 G115 E120 A121 L124 Y130	P67-A118 HydrophobicContact CG-CB 3.74Å; H114-A118 PolarHBondContact O-N 2.89Å; G115-A118 PolarHBondContact O-N 3.01Å; A118-E120 PolarHBondContact O-N 2.05Å; A118-A121 PolarHBondContact O-N 3.26Å; A118-A121 VanDerWaalsContact O-N 3.08Å; A118-L124 HydrophobicContact CB-CB 4.42Å; A118-L124 HydrophobicContact CB-CD1 3.83Å; A118-L124 WeakPolarHBondContact O-CB 3.41Å; A118-Y130 HydrophobicContact CB-CD2 3.7Å; A118-Y130 HydrophobicContact CB-CE2 3.88Å
119	A	96.7	Very high	97.3	Very high	10 Å²	10	33.6 Å²	33.6	8%	0.083	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.6	-178	0	0	0	0	0	115.5	W77 W111 G115 C117 A121 L124 N125	W77-A119 HydrophobicContact CH2-CB 3.87Å; W77-A119 HydrophobicContact CZ3-CB 3.57Å; W111-A119 HydrophobicContact CH2-CB 4.07Å; G115-A119 VanDerWaalsContact O-CB 3.31Å; G115-A119 WeakPolarHBondContact O-CB 3.48Å; G115-A119 PolarHBondContact O-N 2.86Å; C117-A119 PolarHBondContact O-N 2.84Å; A119-A121 PolarHBondContact O-N 2.69Å; A119-L124 WeakPolarHBondContact CA-O 3.38Å; A119-N125 VanDerWaalsContact O-CA 3.3Å; A119-N125 WeakPolarHBondContact O-CA 3.39Å; A119-N125 VanDerWaalsContact O-CB 3.27Å; A119-N125 WeakPolarHBondContact O-CB 3.44Å
120	E	92.8	Very high	97.3	Very high	88 Å²	88	29 Å²	29	41%	0.411	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.2	168.8	-63.9	177.9	174	0	0	112.8	L33 C117 A118	L33-E120 WeakPolarHBondContact CB-OE2 3.39Å; L33-E120 WeakPolarHBondContact CD1-OE2 3.39Å; L33-E120 WeakPolarHBondContact CG-OE2 3.18Å; C117-E120 WeakPolarHBondContact O-CB 3.44Å; C117-E120 WeakPolarHBondContact O-CG 3.09Å; C117-E120 PolarHBondContact O-N 3.22Å; A118-E120 PolarHBondContact O-N 2.05Å
121	A	93	Very high	97.3	Very high	24 Å²	24	28.9 Å²	28.9	20%	0.198	16%	0.16	C	C	.	.	S	Bend	trans	-85.6	135.3	170	0	0	0	0	0	110.9	W34 A118 A119 S123 L124 N125	W34-A121 HydrophobicContact CH2-CB 4.02Å; W34-A121 HydrophobicContact CZ2-CB 3.41Å; W34-A121 VanDerWaalsContact CZ2-CB 3.41Å; A118-A121 PolarHBondContact O-N 3.26Å; A118-A121 VanDerWaalsContact O-N 3.08Å; A119-A121 PolarHBondContact O-N 2.69Å; A121-S123 PolarHBondContact O-N 2.92Å; A121-L124 CarbonylContact O-C 3.52Å; A121-L124 PolarHBondContact O-N 2.82Å; A121-N125 WeakPolarHBondContact O-CB 3.46Å; A121-N125 PolarHBondContact O-N 3.29Å
122	D	93.5	Very high	97.3	Very high	132 Å²	132	30.6 Å²	30.6	71%	0.706	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.1	179.1	-71.8	-31.3	0	0	0	113.9	L124 N125 K129	D122-L124 VanDerWaalsContact C-N 3.29Å; D122-L124 PolarHBondContact O-N 3.39Å; D122-N125 PolarHBondContact O-OD1 2.81Å; D122-K129 PolarHBondContact O-NZ 2.85Å
123	S	95.3	Very high	97.3	Very high	53 Å²	53	30.4 Å²	30.4	37%	0.371	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.5	176.7	55.4	0	0	0	0	113.8	A121	A121-S123 PolarHBondContact O-N 2.92Å
124	L	97.3	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	8.2	-177	-59	178	0	0	0	113.2	W34 V37 A118 A119 A121 D122 S126 K133 F203	W34-L124 HydrophobicContact CH2-CD1 4.12Å; W34-L124 HydrophobicContact CZ2-CD1 3.98Å; V37-L124 HydrophobicContact CG1-CD1 4.41Å; A118-L124 HydrophobicContact CB-CB 4.42Å; A118-L124 HydrophobicContact CB-CD1 3.83Å; A118-L124 WeakPolarHBondContact O-CB 3.41Å; A119-L124 WeakPolarHBondContact CA-O 3.38Å; A121-L124 CarbonylContact O-C 3.52Å; A121-L124 PolarHBondContact O-N 2.82Å; D122-L124 VanDerWaalsContact C-N 3.29Å; D122-L124 PolarHBondContact O-N 3.39Å; L124-S126 PolarHBondContact O-N 2.97Å; L124-K133 HydrophobicContact CD2-CB 3.65Å; L124-K133 HydrophobicContact CD2-CG 3.79Å; L124-F203 HydrophobicContact CD1-CE1 4.08Å; L124-F203 HydrophobicContact CD1-CZ 3.96Å; L124-F203 HydrophobicContact CD2-CE1 4.11Å; L124-F203 HydrophobicContact CD2-CZ 3.67Å; L124-F203 HydrophobicContact CG-CE1 4.35Å; L124-F203 HydrophobicContact CG-CZ 3.78Å
125	N	97	Very high	97.4	Very high	62 Å²	62	30 Å²	30	33%	0.332	16%	0.164	S	C	.	.			trans	-71.4	29.2	-168.5	72	-2.9	0	0	0	116.7	A119 A121 D122 K129	A119-N125 VanDerWaalsContact O-CA 3.3Å; A119-N125 WeakPolarHBondContact O-CA 3.39Å; A119-N125 VanDerWaalsContact O-CB 3.27Å; A119-N125 WeakPolarHBondContact O-CB 3.44Å; A121-N125 WeakPolarHBondContact O-CB 3.46Å; A121-N125 PolarHBondContact O-N 3.29Å; D122-N125 PolarHBondContact O-OD1 2.81Å; N125-K129 WeakPolarHBondContact OD1-CD 3.39Å; N125-K129 PolarHBondContact OD1-NZ 3.06Å
126	S	98.6	Very high	97.4	Very high	33 Å²	33	34.3 Å²	34.3	23%	0.231	19%	0.185	C	C	.	.	S	Bend	trans	-154.8	162.4	168.2	71.7	0	0	0	0	110.6	L124 H128 K129 Y130	L124-S126 PolarHBondContact O-N 2.97Å; S126-H128 VanDerWaalsContact C-N 3.31Å; S126-H128 PolarHBondContact O-N 3Å; S126-K129 PolarHBondContact O-N 2.98Å; S126-K129 WeakPolarHBondContact OG-CB 3.49Å; S126-K129 WeakPolarHBondContact OG-CG 3.41Å; S126-K129 PolarHBondContact OG-N 3.42Å; S126-K129 VanDerWaalsContact OG-N 3.09Å; S126-Y130 WeakPolarHBondContact O-CB 3.38Å; S126-Y130 PolarHBondContact O-N 2.84Å
127	Q	98.8	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-48.4	173.8	-68.3	-175.1	76	0	0	111.1	F79 E83 I84 W111 K129 Y130 F131	F79-Q127 VanDerWaalsContact CA-OE1 3.25Å; E83-Q127 HydrophobicContact CB-CB 4.18Å; E83-Q127 PolarHBondContact OE1-NE2 3.41Å; E83-Q127 WeakPolarHBondContact OE2-CG 3.43Å; E83-Q127 PolarHBondContact OE2-NE2 2.65Å; I84-Q127 HydrophobicContact CG2-CB 4.11Å; W111-Q127 HydrophobicContact CD2-CG 3.65Å; W111-Q127 VanDerWaalsContact CE2-CG 3.46Å; W111-Q127 HydrophobicContact CE3-CB 4.38Å; W111-Q127 HydrophobicContact CE3-CG 3.79Å; W111-Q127 HydrophobicContact CG-CG 4.42Å; W111-Q127 HydrophobicContact CH2-CB 4.38Å; W111-Q127 HydrophobicContact CH2-CG 3.61Å; W111-Q127 HydrophobicContact CZ2-CG 3.46Å; W111-Q127 VanDerWaalsContact CZ2-CG 3.46Å; W111-Q127 HydrophobicContact CZ3-CB 4.26Å; W111-Q127 HydrophobicContact CZ3-CG 3.78Å; Q127-K129 PolarHBondContact O-N 3.32Å; Q127-Y130 PolarHBondContact O-N 3.11Å; Q127-F131 HydrophobicContact CB-CD2 4.39Å; Q127-F131 WeakPolarHBondContact O-CD2 3.4Å; Q127-F131 PolarHBondContact O-N 2.87Å
128	H	98.8	Very high	97.5	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.292	19%	0.187	S	C	.	.	H	α-helix	trans	-56.2	-49.2	178.2	-167.8	-79.4	0	0	0	112.1	E83 D86 S126 Y130 F131 S132	E83-H128 WeakPolarHBondContact O-CB 3.45Å; E83-H128 PolarHBondContact O-CD2 3.24Å; D86-H128 VanDerWaalsContact CG-NE2 3.35Å; D86-H128 IonicContact OD1-CD2 3.5Å; D86-H128 PolarHBondContact OD1-CD2 3.42Å; D86-H128 VanDerWaalsContact OD1-CD2 3.31Å; D86-H128 IonicContact OD1-NE2 3.85Å; D86-H128 PolarHBondContact OD1-NE2 3.45Å; D86-H128 VanDerWaalsContact OD1-NE2 3.12Å; D86-H128 IonicContact OD2-CD2 3.99Å; D86-H128 IonicContact OD2-CE1 2.64Å; D86-H128 IonicContact OD2-NE2 3.59Å; D86-H128 PolarHBondContact OD2-NE2 3.45Å; S126-H128 VanDerWaalsContact C-N 3.31Å; S126-H128 PolarHBondContact O-N 3Å; H128-Y130 PolarHBondContact O-N 3.25Å; H128-F131 PolarHBondContact O-N 3.09Å; H128-S132 WeakPolarHBondContact O-CB 3.42Å; H128-S132 PolarHBondContact O-N 2.78Å; H128-S132 PolarHBondContact O-OG 2.81Å
129	K	98.8	Very high	97.6	Very high	79 Å²	79	41.4 Å²	41.4	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-42.7	178.9	-76.7	177.2	171.4	-176.8	0	112.5	D122 N125 S126 Q127 S132 K133	D122-K129 PolarHBondContact O-NZ 2.85Å; N125-K129 WeakPolarHBondContact OD1-CD 3.39Å; N125-K129 PolarHBondContact OD1-NZ 3.06Å; S126-K129 PolarHBondContact O-N 2.98Å; S126-K129 WeakPolarHBondContact OG-CB 3.49Å; S126-K129 WeakPolarHBondContact OG-CG 3.41Å; S126-K129 PolarHBondContact OG-N 3.42Å; S126-K129 VanDerWaalsContact OG-N 3.09Å; Q127-K129 PolarHBondContact O-N 3.32Å; K129-S132 WeakPolarHBondContact CA-OG 3.41Å; K129-S132 PolarHBondContact O-OG 3.1Å; K129-K133 WeakPolarHBondContact O-CB 3.12Å; K129-K133 PolarHBondContact O-N 2.94Å
130	Y	98.9	Very high	97.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-53.5	178.4	171.3	-101.8	0	0	0	112.1	L65 W95 W111 A118 S126 Q127 H128 K133 A134	L65-Y130 HydrophobicContact CB-CE2 4.03Å; L65-Y130 HydrophobicContact CD2-CD2 4.37Å; L65-Y130 HydrophobicContact CD2-CE2 4.22Å; L65-Y130 HydrophobicContact CG-CE2 4.31Å; L65-Y130 VanDerWaalsContact O-CE2 3.27Å; L65-Y130 WeakPolarHBondContact O-CE2 3.43Å; L65-Y130 PolarHBondContact O-OH 2.82Å; W95-Y130 HydrophobicContact CH2-CE1 4.05Å; W111-Y130 AromaticContact CE3-CD1 3.89Å; W111-Y130 HydrophobicContact CE3-CD1 3.89Å; W111-Y130 HydrophobicContact CE3-CG 4.27Å; W111-Y130 HydrophobicContact CZ3-CD1 4.22Å; W111-Y130 HydrophobicContact CZ3-CG 4.15Å; A118-Y130 HydrophobicContact CB-CD2 3.7Å; A118-Y130 HydrophobicContact CB-CE2 3.88Å; S126-Y130 WeakPolarHBondContact O-CB 3.38Å; S126-Y130 PolarHBondContact O-N 2.84Å; Q127-Y130 PolarHBondContact O-N 3.11Å; H128-Y130 PolarHBondContact O-N 3.25Å; Y130-K133 PolarHBondContact O-N 3.07Å; Y130-A134 PolarHBondContact O-N 2.81Å; Y130-A134 VanDerWaalsContact O-N 3.09Å
131	F	98.9	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-43.4	-177.7	-74.4	-69.1	0	0	0	111.9	F79 I84 L87 M91 W95 W107 W111 Q127 H128 K133 A134 L135	F79-F131 HydrophobicContact CD2-CE2 4.07Å; F79-F131 HydrophobicContact CD2-CZ 4.31Å; F79-F131 AromaticContact CE2-CE2 3.8Å; F79-F131 HydrophobicContact CE2-CE2 3.8Å; F79-F131 HydrophobicContact CE2-CZ 4.04Å; I84-F131 HydrophobicContact CD1-CD2 4.3Å; I84-F131 HydrophobicContact CG2-CB 4.4Å; I84-F131 HydrophobicContact CG2-CD2 3.81Å; I84-F131 HydrophobicContact CG2-CG 4.44Å; L87-F131 HydrophobicContact CD1-CB 3.89Å; M91-F131 HydrophobicContact CE-CD1 3.38Å; M91-F131 HydrophobicContact CE-CE1 3.65Å; M91-F131 HydrophobicContact CE-CG 4.29Å; M91-F131 HydrophobicContact SD-CB 4.24Å; M91-F131 HydrophobicContact SD-CD1 3.83Å; M91-F131 HydrophobicContact SD-CG 4.38Å; W95-F131 HydrophobicContact CE3-CD1 4.1Å; W95-F131 HydrophobicContact CE3-CE1 4.49Å; W95-F131 HydrophobicContact CH2-CD1 4.18Å; W95-F131 HydrophobicContact CH2-CE1 4.15Å; W95-F131 AromaticContact CZ3-CD1 3.64Å; W95-F131 HydrophobicContact CZ3-CD1 3.64Å; W95-F131 HydrophobicContact CZ3-CE1 4.03Å; W107-F131 HydrophobicContact CB-CE1 4.15Å; W107-F131 HydrophobicContact CB-CZ 4.07Å; W111-F131 HydrophobicContact CB-CE2 4.16Å; W111-F131 HydrophobicContact CB-CZ 3.98Å; W111-F131 HydrophobicContact CE3-CE2 4.21Å; Q127-F131 HydrophobicContact CB-CD2 4.39Å; Q127-F131 WeakPolarHBondContact O-CD2 3.4Å; Q127-F131 PolarHBondContact O-N 2.87Å; H128-F131 PolarHBondContact O-N 3.09Å; F131-K133 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 3.03Å; F131-A134 PolarHBondContact O-N 3.12Å; F131-L135 WeakPolarHBondContact O-CG 3.15Å; F131-L135 PolarHBondContact O-N 3.31Å
132	S	98.8	Very high	98.2	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-39.3	176.4	59.5	0	0	0	0	112	H128 K129 L135 E136	H128-S132 WeakPolarHBondContact O-CB 3.42Å; H128-S132 PolarHBondContact O-N 2.78Å; H128-S132 PolarHBondContact O-OG 2.81Å; K129-S132 WeakPolarHBondContact CA-OG 3.41Å; K129-S132 PolarHBondContact O-OG 3.1Å; S132-L135 PolarHBondContact O-N 3.02Å; S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 PolarHBondContact O-N 2.75Å
133	K	98.8	Very high	98.4	Very high	35 Å²	35	38.5 Å²	38.5	15%	0.152	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-177.1	58.4	66.2	-166.7	0	111.8	L65 L124 K129 Y130 F131 L135 E136 L137 F203	L65-K133 HydrophobicContact CD2-CG 4.47Å; L124-K133 HydrophobicContact CD2-CB 3.65Å; L124-K133 HydrophobicContact CD2-CG 3.79Å; K129-K133 WeakPolarHBondContact O-CB 3.12Å; K129-K133 PolarHBondContact O-N 2.94Å; Y130-K133 PolarHBondContact O-N 3.07Å; F131-K133 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 3.03Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.99Å; K133-E136 IonicContact NZ-OE1 3.11Å; K133-E136 PolarHBondContact NZ-OE1 3.4Å; K133-E136 IonicContact NZ-OE2 2.75Å; K133-E136 PolarHBondContact NZ-OE2 2.87Å; K133-E136 PolarHBondContact O-N 2.88Å; K133-L137 HydrophobicContact CD-CD1 4.22Å; K133-L137 HydrophobicContact CD-CD2 4.34Å; K133-L137 HydrophobicContact CD-CG 3.95Å; K133-L137 HydrophobicContact CG-CD1 4.05Å; K133-L137 HydrophobicContact CG-CG 4.22Å; K133-L137 WeakPolarHBondContact O-CB 3.04Å; K133-L137 VanDerWaalsContact O-CG 3.28Å; K133-L137 WeakPolarHBondContact O-CG 3.27Å; K133-L137 PolarHBondContact O-N 3.18Å; K133-F203 HydrophobicContact CD-CD1 4.07Å; K133-F203 HydrophobicContact CD-CD2 4.25Å; K133-F203 HydrophobicContact CD-CE1 4.14Å; K133-F203 HydrophobicContact CD-CE2 4.32Å; K133-F203 HydrophobicContact CD-CG 4.11Å; K133-F203 HydrophobicContact CD-CZ 4.27Å; K133-F203 HydrophobicContact CG-CD1 4.08Å; K133-F203 HydrophobicContact CG-CE1 3.74Å; K133-F203 HydrophobicContact CG-CE2 4.49Å; K133-F203 HydrophobicContact CG-CZ 3.97Å
134	A	98.9	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-42	176	0	0	0	0	0	112.2	L62 L65 W95 Y130 F131 L137 Y138	L62-A134 HydrophobicContact CD1-CB 4.41Å; L65-A134 HydrophobicContact CB-CB 3.9Å; L65-A134 HydrophobicContact CD2-CB 3.97Å; W95-A134 HydrophobicContact CE3-CB 4.1Å; W95-A134 HydrophobicContact CH2-CB 4.03Å; W95-A134 HydrophobicContact CZ3-CB 3.32Å; Y130-A134 PolarHBondContact O-N 2.81Å; Y130-A134 VanDerWaalsContact O-N 3.09Å; F131-A134 PolarHBondContact O-N 3.12Å; A134-L137 PolarHBondContact O-N 3.39Å; A134-Y138 WeakPolarHBondContact O-CB 3.33Å; A134-Y138 PolarHBondContact O-N 2.89Å
135	L	98.9	Very high	98.6	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175	-65.1	175	0	0	0	112	L62 L87 D90 M91 V94 F131 S132 K133 Y138 Q139	L62-L135 HydrophobicContact CD1-CD2 4.39Å; L87-L135 HydrophobicContact CB-CD1 4.13Å; L87-L135 HydrophobicContact CD2-CD1 4.28Å; D90-L135 HydrophobicContact CB-CD1 3.96Å; D90-L135 HydrophobicContact CB-CD2 4.32Å; M91-L135 HydrophobicContact CG-CD1 4.29Å; M91-L135 HydrophobicContact SD-CD1 4.15Å; M91-L135 HydrophobicContact SD-CD2 4.02Å; M91-L135 HydrophobicContact SD-CG 4.17Å; V94-L135 HydrophobicContact CG2-CD2 3.19Å; F131-L135 WeakPolarHBondContact O-CG 3.15Å; F131-L135 PolarHBondContact O-N 3.31Å; S132-L135 PolarHBondContact O-N 3.02Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.99Å; L135-Y138 WeakPolarHBondContact O-CB 3.15Å; L135-Y138 PolarHBondContact O-N 3.38Å; L135-Q139 WeakPolarHBondContact O-CG 3.11Å; L135-Q139 PolarHBondContact O-N 2.88Å
136	E	98.8	Very high	98.6	Very high	92 Å²	92	36.8 Å²	36.8	43%	0.43	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-47.5	175.1	-179	-165.2	132.9	0	0	111.3	S132 K133 Q139 K140	S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 PolarHBondContact O-N 2.75Å; K133-E136 IonicContact NZ-OE1 3.11Å; K133-E136 PolarHBondContact NZ-OE1 3.4Å; K133-E136 IonicContact NZ-OE2 2.75Å; K133-E136 PolarHBondContact NZ-OE2 2.87Å; K133-E136 PolarHBondContact O-N 2.88Å; E136-Q139 PolarHBondContact O-N 3.38Å; E136-K140 WeakPolarHBondContact O-CB 3.48Å; E136-K140 PolarHBondContact O-N 3.35Å
137	L	98.9	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-39.2	179.6	-67.9	178.9	0	0	0	111.7	L39 L65 K133 A134 Q139 K140 V141 F199 F203	L39-L137 HydrophobicContact CD1-CB 3.98Å; L39-L137 HydrophobicContact CD2-CB 4.04Å; L65-L137 HydrophobicContact CD1-CD1 3.95Å; L65-L137 HydrophobicContact CD2-CD1 4.47Å; K133-L137 HydrophobicContact CD-CD1 4.22Å; K133-L137 HydrophobicContact CD-CD2 4.34Å; K133-L137 HydrophobicContact CD-CG 3.95Å; K133-L137 HydrophobicContact CG-CD1 4.05Å; K133-L137 HydrophobicContact CG-CG 4.22Å; K133-L137 WeakPolarHBondContact O-CB 3.04Å; K133-L137 VanDerWaalsContact O-CG 3.28Å; K133-L137 WeakPolarHBondContact O-CG 3.27Å; K133-L137 PolarHBondContact O-N 3.18Å; A134-L137 PolarHBondContact O-N 3.39Å; L137-Q139 VanDerWaalsContact C-N 3.34Å; L137-Q139 PolarHBondContact O-N 2.93Å; L137-K140 HydrophobicContact CD2-CD 4.29Å; L137-K140 PolarHBondContact O-N 3.42Å; L137-V141 WeakPolarHBondContact O-CG1 3.33Å; L137-V141 WeakPolarHBondContact O-CG2 3.04Å; L137-V141 PolarHBondContact O-N 2.66Å; L137-F199 HydrophobicContact CB-CE2 4.39Å; L137-F199 HydrophobicContact CB-CZ 4.36Å; L137-F199 HydrophobicContact CD1-CD2 4.09Å; L137-F199 HydrophobicContact CD1-CE2 4.15Å; L137-F199 HydrophobicContact CD1-CG 4.47Å; L137-F199 HydrophobicContact CD2-CD1 4.16Å; L137-F199 HydrophobicContact CD2-CE1 3.81Å; L137-F199 HydrophobicContact CD2-CE2 4.32Å; L137-F199 HydrophobicContact CD2-CZ 3.89Å; L137-F199 HydrophobicContact CG-CZ 4.48Å; L137-F203 HydrophobicContact CD1-CD1 4.02Å; L137-F203 HydrophobicContact CD2-CB 4.27Å
138	Y	98.9	Very high	98.6	Very high	23 Å²	23	41.4 Å²	41.4	9%	0.09	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-46.8	172.5	176.9	-93.6	0	0	0	112.1	Q41 W60 L62 V94 A134 L135 V141 D142 N144	Q41-Y138 HydrophobicContact CG-CD2 4.22Å; Q41-Y138 HydrophobicContact CG-CE2 4.41Å; Q41-Y138 VanDerWaalsContact OE1-CE2 3.31Å; W60-Y138 WeakPolarHBondContact O-CE2 3.41Å; W60-Y138 PolarHBondContact O-OH 2.72Å; L62-Y138 HydrophobicContact CD1-CD2 4.31Å; L62-Y138 HydrophobicContact CD1-CG 4.25Å; L62-Y138 HydrophobicContact CD2-CD2 3.82Å; L62-Y138 HydrophobicContact CD2-CG 4.36Å; L62-Y138 HydrophobicContact CG-CD2 3.62Å; L62-Y138 HydrophobicContact CG-CE2 4.36Å; L62-Y138 HydrophobicContact CG-CG 4.06Å; V94-Y138 HydrophobicContact CB-CD1 3.97Å; V94-Y138 HydrophobicContact CB-CE1 3.65Å; V94-Y138 HydrophobicContact CG1-CD1 4.06Å; V94-Y138 HydrophobicContact CG1-CE1 3.52Å; V94-Y138 HydrophobicContact CG2-CD1 4.18Å; V94-Y138 HydrophobicContact CG2-CE1 4.35Å; A134-Y138 WeakPolarHBondContact O-CB 3.33Å; A134-Y138 PolarHBondContact O-N 2.89Å; L135-Y138 WeakPolarHBondContact O-CB 3.15Å; L135-Y138 PolarHBondContact O-N 3.38Å; Y138-V141 WeakPolarHBondContact O-CG2 3.28Å; Y138-D142 PolarHBondContact O-N 3.21Å; Y138-D142 VanDerWaalsContact O-N 3.11Å; Y138-N144 PolarHBondContact OH-ND2 3.16Å
139	Q	98.6	Very high	98.5	Very high	131 Å²	131	45.3 Å²	45.3	61%	0.612	22%	0.217	S	C	*	.	H	α-helix	trans	-66.6	-38	176.1	-68.8	175.7	8.2	0	0	112.2	L135 E136 L137	L135-Q139 WeakPolarHBondContact O-CG 3.11Å; L135-Q139 PolarHBondContact O-N 2.88Å; E136-Q139 PolarHBondContact O-N 3.38Å; L137-Q139 VanDerWaalsContact C-N 3.34Å; L137-Q139 PolarHBondContact O-N 2.93Å
140	K	98.4	Very high	98.5	Very high	123 Å²	123	43.5 Å²	43.5	54%	0.535	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-41.7	179.9	-178.7	-178.8	177.3	-178.1	0	112.4	E136 L137 F203	E136-K140 WeakPolarHBondContact O-CB 3.48Å; E136-K140 PolarHBondContact O-N 3.35Å; L137-K140 HydrophobicContact CD2-CD 4.29Å; L137-K140 PolarHBondContact O-N 3.42Å; K140-F203 PolarHBondContact NZ-O 3.37Å
141	V	98.5	Very high	98.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-75.4	-35.8	179.2	-60.3	0	0	0	0	111.8	L39 L137 Y138 L143 Y172 I197 F199	L39-V141 HydrophobicContact CD2-CG1 3.99Å; L39-V141 HydrophobicContact CD2-CG2 3.68Å; L137-V141 WeakPolarHBondContact O-CG1 3.33Å; L137-V141 WeakPolarHBondContact O-CG2 3.04Å; L137-V141 PolarHBondContact O-N 2.66Å; Y138-V141 WeakPolarHBondContact O-CG2 3.28Å; V141-L143 VanDerWaalsContact C-N 3.3Å; V141-L143 PolarHBondContact O-N 3.21Å; V141-Y172 HydrophobicContact CB-CE1 4.13Å; V141-Y172 WeakPolarHBondContact O-CE1 3.39Å; V141-Y172 PolarHBondContact O-OH 3.43Å; V141-I197 HydrophobicContact CB-CD1 3.76Å; V141-I197 HydrophobicContact CG1-CD1 3.86Å; V141-I197 HydrophobicContact CG1-CG2 4.03Å; V141-I197 HydrophobicContact CG2-CD1 3.99Å; V141-F199 HydrophobicContact CG1-CE2 4.3Å; V141-F199 HydrophobicContact CG1-CZ 3.59Å
142	D	98.4	Very high	98.4	Very high	66 Å²	66	50 Å²	50	35%	0.353	25%	0.251	S	S	.	.			trans	48	51.3	177.2	-168.2	9.7	0	0	0	112.6	Y138 N144 S145 M146	Y138-D142 PolarHBondContact O-N 3.21Å; Y138-D142 VanDerWaalsContact O-N 3.11Å; D142-N144 PolarHBondContact O-N 2.04Å; D142-S145 PolarHBondContact O-N 3.47Å; D142-S145 VanDerWaalsContact O-N 3.13Å; D142-S145 VanDerWaalsContact OD1-CB 3.24Å; D142-S145 WeakPolarHBondContact OD1-CB 3.19Å; D142-S145 PolarHBondContact OD1-N 3.02Å; D142-S145 PolarHBondContact OD1-OG 3.47Å; D142-S145 WeakPolarHBondContact OD2-CB 3.46Å; D142-S145 PolarHBondContact OD2-OG 3.37Å; D142-M146 WeakPolarHBondContact O-CB 3.49Å; D142-M146 PolarHBondContact O-N 2.78Å
143	L	98.7	Very high	98.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-54.4	-39.8	-173.8	176.1	60.6	0	0	0	112.2	Q41 W60 V141 M146 L147 M168 I195	Q41-L143 HydrophobicContact CB-CD2 3.95Å; Q41-L143 HydrophobicContact CG-CD2 4.4Å; W60-L143 HydrophobicContact CB-CD2 4.01Å; W60-L143 HydrophobicContact CB-CG 4.49Å; W60-L143 HydrophobicContact CD2-CD2 3.66Å; W60-L143 HydrophobicContact CD2-CG 4.43Å; W60-L143 HydrophobicContact CE3-CD2 3.87Å; W60-L143 HydrophobicContact CG-CD2 3.71Å; W60-L143 HydrophobicContact CG-CG 4.15Å; V141-L143 VanDerWaalsContact C-N 3.3Å; V141-L143 PolarHBondContact O-N 3.21Å; L143-M146 HydrophobicContact CD1-CE 3.5Å; L143-M146 PolarHBondContact O-N 3.08Å; L143-L147 HydrophobicContact CD1-CD1 3.81Å; L143-L147 HydrophobicContact CD1-CD2 4.47Å; L143-L147 HydrophobicContact CD1-CG 3.87Å; L143-L147 HydrophobicContact CG-CD1 3.97Å; L143-L147 HydrophobicContact CG-CG 4.42Å; L143-L147 WeakPolarHBondContact O-CB 3.37Å; L143-L147 WeakPolarHBondContact O-CG 3.46Å; L143-L147 PolarHBondContact O-N 3.03Å; L143-M168 HydrophobicContact CD1-CE 3.89Å; L143-I195 HydrophobicContact CD1-CD1 4.12Å; L143-I195 HydrophobicContact CD1-CG2 4.38Å; L143-I195 HydrophobicContact CD2-CB 4.06Å; L143-I195 HydrophobicContact CD2-CD1 4.11Å; L143-I195 HydrophobicContact CD2-CG2 4.12Å
144	N	97.7	Very high	98.3	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-53.1	178	-70.4	-67.6	0	0	0	111.7	Y59 W60 Y138 D142 M146 L147 Q148	Y59-N144 WeakPolarHBondContact CA-OD1 3.42Å; Y59-N144 WeakPolarHBondContact CB-OD1 3.47Å; W60-N144 PolarHBondContact N-OD1 3.26Å; W60-N144 PolarHBondContact O-ND2 3.04Å; Y138-N144 PolarHBondContact OH-ND2 3.16Å; D142-N144 PolarHBondContact O-N 2.04Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-M146 PolarHBondContact O-N 3.04Å; N144-L147 PolarHBondContact O-N 3.22Å; N144-Q148 WeakPolarHBondContact O-CB 3.19Å; N144-Q148 PolarHBondContact O-N 2.87Å; N144-Q148 VanDerWaalsContact O-N 3.07Å
145	S	98.2	Very high	98.1	Very high	35 Å²	35	52.4 Å²	52.4	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-70.1	-32.9	-179.1	-52.7	0	0	0	0	112	D142 K149	D142-S145 PolarHBondContact O-N 3.47Å; D142-S145 VanDerWaalsContact O-N 3.13Å; D142-S145 VanDerWaalsContact OD1-CB 3.24Å; D142-S145 WeakPolarHBondContact OD1-CB 3.19Å; D142-S145 PolarHBondContact OD1-N 3.02Å; D142-S145 PolarHBondContact OD1-OG 3.47Å; D142-S145 WeakPolarHBondContact OD2-CB 3.46Å; D142-S145 PolarHBondContact OD2-OG 3.37Å; S145-K149 WeakPolarHBondContact O-CB 3.35Å; S145-K149 WeakPolarHBondContact O-CD 3.43Å; S145-K149 WeakPolarHBondContact O-CG 3.12Å; S145-K149 PolarHBondContact O-N 3.47Å
146	M	98.1	Very high	97.9	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-53.8	174.9	-180	-77.7	-76.7	0	0	110.8	D142 L143 N144 Q148 K149 A150 M168 F171 Y172	D142-M146 WeakPolarHBondContact O-CB 3.49Å; D142-M146 PolarHBondContact O-N 2.78Å; L143-M146 HydrophobicContact CD1-CE 3.5Å; L143-M146 PolarHBondContact O-N 3.08Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-M146 PolarHBondContact O-N 3.04Å; M146-Q148 VanDerWaalsContact C-N 3.3Å; M146-Q148 PolarHBondContact O-N 2.73Å; M146-K149 PolarHBondContact O-N 2.87Å; M146-A150 PolarHBondContact O-N 3.35Å; M146-M168 HydrophobicContact CE-CB 4.27Å; M146-M168 HydrophobicContact CE-CE 3.78Å; M146-M168 HydrophobicContact CE-CG 3.57Å; M146-M168 HydrophobicContact CE-SD 4.36Å; M146-M168 HydrophobicContact SD-CG 4.36Å; M146-F171 HydrophobicContact CB-CD1 4.09Å; M146-F171 HydrophobicContact CB-CE1 3.94Å; M146-F171 HydrophobicContact CB-CE2 4.45Å; M146-F171 HydrophobicContact CB-CG 4.4Å; M146-F171 HydrophobicContact CB-CZ 4.13Å; M146-F171 HydrophobicContact CG-CB 3.85Å; M146-F171 HydrophobicContact CG-CD1 3.31Å; M146-F171 HydrophobicContact CG-CD2 3.79Å; M146-F171 HydrophobicContact CG-CE1 3.69Å; M146-F171 HydrophobicContact CG-CE2 4.13Å; M146-F171 HydrophobicContact CG-CG 3.35Å; M146-F171 HydrophobicContact CG-CZ 4.08Å; M146-F171 HydrophobicContact SD-CB 4.43Å; M146-Y172 HydrophobicContact CE-CD2 4.42Å; M146-Y172 HydrophobicContact CE-CE2 3.46Å; M146-Y172 VanDerWaalsContact CE-CE2 3.46Å; M146-Y172 HydrophobicContact CG-CE2 4.41Å
147	L	98.4	Very high	97.8	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-41.2	-179.9	-71.6	173.4	0	0	0	111.3	W60 L143 N144 K149 A150 N151 I152	W60-L147 HydrophobicContact CZ2-CD1 4.32Å; L143-L147 HydrophobicContact CD1-CD1 3.81Å; L143-L147 HydrophobicContact CD1-CD2 4.47Å; L143-L147 HydrophobicContact CD1-CG 3.87Å; L143-L147 HydrophobicContact CG-CD1 3.97Å; L143-L147 HydrophobicContact CG-CG 4.42Å; L143-L147 WeakPolarHBondContact O-CB 3.37Å; L143-L147 WeakPolarHBondContact O-CG 3.46Å; L143-L147 PolarHBondContact O-N 3.03Å; N144-L147 PolarHBondContact O-N 3.22Å; L147-K149 PolarHBondContact O-N 2.74Å; L147-A150 CarbonylContact O-C 3.59Å; L147-A150 PolarHBondContact O-N 2.75Å; L147-N151 PolarHBondContact O-N 3.3Å; L147-I152 CarbonylContact C-O 3.55Å; L147-I152 HydrophobicContact CB-CB 4.38Å; L147-I152 WeakPolarHBondContact CB-O 3.29Å; L147-I152 HydrophobicContact CD2-CB 4.06Å; L147-I152 HydrophobicContact CD2-CD1 4.14Å; L147-I152 HydrophobicContact CD2-CG2 3.99Å; L147-I152 PolarHBondContact O-N 3.5Å
148	Q	97.5	Very high	97.7	Very high	129 Å²	129	67.8 Å²	67.8	60%	0.603	34%	0.338	S	S	*	.	H	α-helix	trans	-60.3	-45.1	175.5	-171.3	-179.3	29.8	0	0	112.4	N144 M146 A150 N151	N144-Q148 WeakPolarHBondContact O-CB 3.19Å; N144-Q148 PolarHBondContact O-N 2.87Å; N144-Q148 VanDerWaalsContact O-N 3.07Å; M146-Q148 VanDerWaalsContact C-N 3.3Å; M146-Q148 PolarHBondContact O-N 2.73Å; Q148-A150 PolarHBondContact O-N 3.11Å; Q148-N151 PolarHBondContact O-N 3.19Å
149	K	98	Very high	97.7	Very high	145 Å²	145	68.4 Å²	68.4	63%	0.63	34%	0.34	S	S	*	.	H	α-helix	trans	-63.9	-29.8	177.2	-74.9	167.2	-174.7	167.2	0	112.5	S145 M146 L147 N151	S145-K149 WeakPolarHBondContact O-CB 3.35Å; S145-K149 WeakPolarHBondContact O-CD 3.43Å; S145-K149 WeakPolarHBondContact O-CG 3.12Å; S145-K149 PolarHBondContact O-N 3.47Å; M146-K149 PolarHBondContact O-N 2.87Å; L147-K149 PolarHBondContact O-N 2.74Å; K149-N151 PolarHBondContact O-N 2.85Å
150	A	97.9	Very high	97.6	Very high	41 Å²	41	65.5 Å²	65.5	34%	0.339	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.2	173.7	0	0	0	0	0	113.7	M146 L147 Q148 I152 A167	M146-A150 PolarHBondContact O-N 3.35Å; L147-A150 CarbonylContact O-C 3.59Å; L147-A150 PolarHBondContact O-N 2.75Å; Q148-A150 PolarHBondContact O-N 3.11Å; A150-I152 HydrophobicContact CB-CD1 3.89Å; A150-I152 HydrophobicContact CB-CG1 4.09Å; A150-I152 PolarHBondContact O-N 3.09Å; A150-A167 HydrophobicContact CB-CB 3.79Å
151	N	97.8	Very high	97.6	Very high	129 Å²	129	60.5 Å²	60.5	69%	0.69	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	29.7	-170.4	-53.9	-68	0	0	0	113.6	L147 Q148 K149 Y159	L147-N151 PolarHBondContact O-N 3.3Å; Q148-N151 PolarHBondContact O-N 3.19Å; K149-N151 PolarHBondContact O-N 2.85Å; N151-Y159 PolarHBondContact O-OH 3.41Å
152	I	98.2	Very high	97.5	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.031	33%	0.325	C	S	.	.			trans	-98	84.3	171	-57.8	165.1	0	0	0	107	L147 A150 Y159 I164 A167 Y241	L147-I152 CarbonylContact C-O 3.55Å; L147-I152 HydrophobicContact CB-CB 4.38Å; L147-I152 WeakPolarHBondContact CB-O 3.29Å; L147-I152 HydrophobicContact CD2-CB 4.06Å; L147-I152 HydrophobicContact CD2-CD1 4.14Å; L147-I152 HydrophobicContact CD2-CG2 3.99Å; L147-I152 PolarHBondContact O-N 3.5Å; A150-I152 HydrophobicContact CB-CD1 3.89Å; A150-I152 HydrophobicContact CB-CG1 4.09Å; A150-I152 PolarHBondContact O-N 3.09Å; I152-Y159 HydrophobicContact CB-CE1 4.3Å; I152-Y159 HydrophobicContact CG1-CD1 4.41Å; I152-Y159 HydrophobicContact CG1-CE1 4.19Å; I152-Y159 HydrophobicContact CG2-CD1 4.43Å; I152-Y159 HydrophobicContact CG2-CE1 4.17Å; I152-Y159 HydrophobicContact CG2-CE2 4.27Å; I152-I164 HydrophobicContact CD1-CB 4.41Å; I152-I164 HydrophobicContact CD1-CG1 4.32Å; I152-I164 HydrophobicContact CD1-CG2 4.5Å; I152-I164 HydrophobicContact CG2-CG1 4.28Å; I152-A167 HydrophobicContact CD1-CB 3.56Å; I152-Y241 HydrophobicContact CG2-CD1 4.21Å
153	T	97.3	Very high	97.4	Very high	60 Å²	60	63.7 Å²	63.7	37%	0.368	33%	0.331	S	S	.	.			trans	-111.8	154.7	180	57.8	0	0	0	0	111.1	S155 Y159 Y241	T153-S155 PolarHBondContact O-N 2.95Å; T153-Y159 PolarHBondContact N-OH 3.45Å; T153-Y159 PolarHBondContact O-OH 3.27Å; T153-Y241 VanDerWaalsContact C-CE1 3.5Å; T153-Y241 WeakPolarHBondContact O-CD1 3.36Å
154	P	97.4	Very high	97.4	Very high	36 Å²	36	63.6 Å²	63.6	23%	0.234	33%	0.33	C	S	.	.	S	Bend	trans	-54.5	130	172.9	-19.7	28.2	0	0	0	110.8	W43 Y241 P243	W43-P154 HydrophobicContact CH2-CG 3.72Å; W43-P154 HydrophobicContact CZ2-CB 4.21Å; W43-P154 HydrophobicContact CZ2-CG 3.68Å; P154-Y241 WeakPolarHBondContact CA-O 3.37Å; P154-Y241 HydrophobicContact CB-CD1 4.46Å; P154-Y241 HydrophobicContact CB-CD2 4.46Å; P154-Y241 HydrophobicContact CB-CE1 4.36Å; P154-Y241 HydrophobicContact CB-CE2 4.34Å; P154-Y241 HydrophobicContact CB-CG 4.5Å; P154-Y241 HydrophobicContact CG-CD1 4.31Å; P154-Y241 HydrophobicContact CG-CD2 4.46Å; P154-Y241 HydrophobicContact CG-CE1 3.73Å; P154-Y241 HydrophobicContact CG-CE2 3.89Å; P154-Y241 VanDerWaalsContact CG-CZ 3.47Å; P154-Y241 VanDerWaalsContact N-CD1 3.35Å; P154-Y241 VanDerWaalsContact N-CE1 3.28Å; P154-P243 VanDerWaalsContact CB-CA 3.48Å; P154-P243 HydrophobicContact CB-CB 4.18Å
155	S	95.7	Very high	97.4	Very high	26 Å²	26	63.3 Å²	63.3	18%	0.182	33%	0.328	C	S	.	.			trans	-165.8	163.6	-177.9	81.2	0	0	0	0	112.6	T153 K157 Y240 Y241	T153-S155 PolarHBondContact O-N 2.95Å; S155-K157 PolarHBondContact O-N 3.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.28Å; S155-K157 PolarHBondContact OG-N 2.91Å; S155-K157 VanDerWaalsContact OG-N 3.11Å; S155-K157 PolarHBondContact OG-O 3.18Å; S155-Y240 WeakPolarHBondContact O-CE2 3.46Å; S155-Y241 PolarHBondContact N-O 2.98Å
156	D	94.8	Very high	97.4	Very high	130 Å²	130	66.3 Å²	66.3	70%	0.695	34%	0.338	S	S	*	.	S	Bend	trans	-71.2	-6.3	171.1	-59.4	-36.7	0	0	0	113.5
157	K	95.7	Very high	97.4	Very high	166 Å²	166	67.3 Å²	67.3	72%	0.722	35%	0.346	S	S	*	.	S	Bend	trans	-86.9	146.1	173.9	-62.2	179.9	-178.4	175.2	0	110.1	S155	S155-K157 PolarHBondContact O-N 3.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.28Å; S155-K157 PolarHBondContact OG-N 2.91Å; S155-K157 VanDerWaalsContact OG-N 3.11Å; S155-K157 PolarHBondContact OG-O 3.18Å
158	Y	97.3	Very high	97.4	Very high	128 Å²	128	67.2 Å²	67.2	50%	0.502	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.3	176.5	-48.9	-31.2	0	0	0	110.8	P189 P238 V239 Y240	Y158-P189 HydrophobicContact CD1-CB 4.26Å; Y158-P189 HydrophobicContact CD1-CG 4.25Å; Y158-P189 HydrophobicContact CD2-CB 4.21Å; Y158-P189 HydrophobicContact CD2-CG 4.41Å; Y158-P189 HydrophobicContact CE1-CB 4.31Å; Y158-P189 HydrophobicContact CE1-CG 3.8Å; Y158-P189 HydrophobicContact CE2-CB 4.23Å; Y158-P189 HydrophobicContact CE2-CG 3.95Å; Y158-P189 HydrophobicContact CG-CB 4.23Å; Y158-P238 HydrophobicContact CD2-CB 4.22Å; Y158-P238 HydrophobicContact CG-CB 4.37Å; Y158-V239 WeakPolarHBondContact CA-O 3.28Å; Y158-Y240 AromaticContact CD1-CD2 3.88Å; Y158-Y240 HydrophobicContact CD1-CD2 3.88Å; Y158-Y240 HydrophobicContact CD1-CG 4.29Å; Y158-Y240 AromaticContact CE1-CD2 3.71Å; Y158-Y240 HydrophobicContact CE1-CD2 3.71Å; Y158-Y240 HydrophobicContact CE1-CE2 4.46Å; Y158-Y240 HydrophobicContact CE1-CG 4.1Å
159	Y	98.3	Very high	97.3	Very high	36 Å²	36	63.9 Å²	63.9	14%	0.141	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	157.4	171	-62	-86	0	0	0	109.5	N151 I152 T153 I164 V239 Y241	N151-Y159 PolarHBondContact O-OH 3.41Å; I152-Y159 HydrophobicContact CB-CE1 4.3Å; I152-Y159 HydrophobicContact CG1-CD1 4.41Å; I152-Y159 HydrophobicContact CG1-CE1 4.19Å; I152-Y159 HydrophobicContact CG2-CD1 4.43Å; I152-Y159 HydrophobicContact CG2-CE1 4.17Å; I152-Y159 HydrophobicContact CG2-CE2 4.27Å; T153-Y159 PolarHBondContact N-OH 3.45Å; T153-Y159 PolarHBondContact O-OH 3.27Å; Y159-I164 HydrophobicContact CG-CD1 4.41Å; Y159-I164 HydrophobicContact CG-CG1 4.37Å; Y159-V239 PolarHBondContact N-O 2.78Å; Y159-V239 PolarHBondContact O-N 3.22Å; Y159-Y241 HydrophobicContact CE2-CD1 4.4Å
160	T	97.9	Very high	97.3	Very high	70 Å²	70	63.5 Å²	63.5	43%	0.429	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-78.3	151.1	158.3	74.3	0	0	0	0	108.7	S162 D163	T160-S162 PolarHBondContact O-N 3.34Å; T160-D163 WeakPolarHBondContact CB-OD2 3.46Å; T160-D163 PolarHBondContact N-OD2 3.22Å; T160-D163 PolarHBondContact O-N 2.79Å; T160-D163 PolarHBondContact OG1-N 3.04Å; T160-D163 VanDerWaalsContact OG1-N 3.08Å; T160-D163 PolarHBondContact OG1-OD1 3.32Å; T160-D163 PolarHBondContact OG1-OD2 3.32Å
161	F	96.8	Very high	97.3	Very high	17 Å²	17	66.6 Å²	66.6	8%	0.075	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-39.7	172.1	171.8	-99.3	0	0	0	111.3	D163 I164 E165 I178 C233 P235 V239	F161-D163 VanDerWaalsContact C-N 3.34Å; F161-D163 PolarHBondContact O-N 3.42Å; F161-I164 PolarHBondContact O-N 2.9Å; F161-E165 HydrophobicContact CD1-CB 4.46Å; F161-E165 HydrophobicContact CE1-CB 4.04Å; F161-E165 HydrophobicContact CE1-CG 4.26Å; F161-E165 VanDerWaalsContact CE1-OE1 3.29Å; F161-E165 WeakPolarHBondContact CE1-OE1 3.26Å; F161-E165 WeakPolarHBondContact CE1-OE2 3.39Å; F161-E165 HydrophobicContact CZ-CB 4.18Å; F161-E165 HydrophobicContact CZ-CG 4.34Å; F161-E165 VanDerWaalsContact CZ-OE1 3.31Å; F161-E165 WeakPolarHBondContact CZ-OE1 3.46Å; F161-E165 WeakPolarHBondContact O-CB 3.28Å; F161-E165 PolarHBondContact O-N 2.93Å; F161-I178 HydrophobicContact CE2-CB 4.13Å; F161-I178 HydrophobicContact CE2-CD1 4.08Å; F161-C233 HydrophobicContact CD2-CB 3.59Å; F161-C233 HydrophobicContact CE2-CB 3.78Å; F161-P235 HydrophobicContact CD1-CB 3.96Å; F161-P235 HydrophobicContact CE1-CB 4.49Å; F161-V239 HydrophobicContact CB-CG2 4.16Å
162	S	96.9	Very high	97.3	Very high	50 Å²	50	61.5 Å²	61.5	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-35.9	-178.9	-163.8	0	0	0	0	113.3	T160 I164 Q166	T160-S162 PolarHBondContact O-N 3.34Å; S162-I164 VanDerWaalsContact C-N 3.33Å; S162-I164 PolarHBondContact O-N 2.89Å; S162-Q166 VanDerWaalsContact O-CB 3.26Å; S162-Q166 WeakPolarHBondContact O-CB 3.24Å; S162-Q166 VanDerWaalsContact O-CG 3.29Å; S162-Q166 WeakPolarHBondContact O-CG 3.37Å; S162-Q166 PolarHBondContact O-N 3.36Å; S162-Q166 PolarHBondContact O-NE2 3.08Å; S162-Q166 PolarHBondContact OG-NE2 3.16Å
163	D	97.3	Very high	97.3	Very high	87 Å²	87	64.5 Å²	64.5	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176.1	-63.5	-41.3	0	0	0	111.2	T160 F161 A167	T160-D163 WeakPolarHBondContact CB-OD2 3.46Å; T160-D163 PolarHBondContact N-OD2 3.22Å; T160-D163 PolarHBondContact O-N 2.79Å; T160-D163 PolarHBondContact OG1-N 3.04Å; T160-D163 VanDerWaalsContact OG1-N 3.08Å; T160-D163 PolarHBondContact OG1-OD1 3.32Å; T160-D163 PolarHBondContact OG1-OD2 3.32Å; F161-D163 VanDerWaalsContact C-N 3.34Å; F161-D163 PolarHBondContact O-N 3.42Å; D163-A167 VanDerWaalsContact O-CB 3.26Å; D163-A167 WeakPolarHBondContact O-CB 3.34Å; D163-A167 PolarHBondContact O-N 3.14Å; D163-A167 VanDerWaalsContact O-N 3.16Å
164	I	98.4	Very high	97.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-52.7	178.4	-56.1	174.9	0	0	0	109.7	I152 Y159 F161 S162 Q166 A167 M168 I178 L192 V239	I152-I164 HydrophobicContact CD1-CB 4.41Å; I152-I164 HydrophobicContact CD1-CG1 4.32Å; I152-I164 HydrophobicContact CD1-CG2 4.5Å; I152-I164 HydrophobicContact CG2-CG1 4.28Å; Y159-I164 HydrophobicContact CG-CD1 4.41Å; Y159-I164 HydrophobicContact CG-CG1 4.37Å; F161-I164 PolarHBondContact O-N 2.9Å; S162-I164 VanDerWaalsContact C-N 3.33Å; S162-I164 PolarHBondContact O-N 2.89Å; I164-Q166 PolarHBondContact O-N 2.93Å; I164-A167 PolarHBondContact O-N 3.37Å; I164-M168 HydrophobicContact CG2-CG 4.44Å; I164-M168 HydrophobicContact CG2-SD 4.12Å; I164-M168 VanDerWaalsContact O-CG 3.26Å; I164-M168 WeakPolarHBondContact O-CG 3.04Å; I164-M168 PolarHBondContact O-N 3.01Å; I164-I178 HydrophobicContact CB-CD1 4.49Å; I164-I178 HydrophobicContact CG2-CD1 3.86Å; I164-L192 HydrophobicContact CD1-CD2 4.37Å; I164-V239 HydrophobicContact CD1-CB 3.93Å; I164-V239 HydrophobicContact CD1-CG1 3.7Å; I164-V239 HydrophobicContact CD1-CG2 4.3Å
165	E	97.4	Very high	97.2	Very high	34 Å²	34	62.6 Å²	62.6	16%	0.159	33%	0.329	C	S	.	.	H	α-helix	trans	-57.7	-49.7	-177.5	-175.5	177.3	-117.9	0	0	111.9	F161 A167 M168 E169 K175 I178	F161-E165 HydrophobicContact CD1-CB 4.46Å; F161-E165 HydrophobicContact CE1-CB 4.04Å; F161-E165 HydrophobicContact CE1-CG 4.26Å; F161-E165 VanDerWaalsContact CE1-OE1 3.29Å; F161-E165 WeakPolarHBondContact CE1-OE1 3.26Å; F161-E165 WeakPolarHBondContact CE1-OE2 3.39Å; F161-E165 HydrophobicContact CZ-CB 4.18Å; F161-E165 HydrophobicContact CZ-CG 4.34Å; F161-E165 VanDerWaalsContact CZ-OE1 3.31Å; F161-E165 WeakPolarHBondContact CZ-OE1 3.46Å; F161-E165 WeakPolarHBondContact O-CB 3.28Å; F161-E165 PolarHBondContact O-N 2.93Å; E165-A167 PolarHBondContact O-N 2.89Å; E165-M168 PolarHBondContact O-N 2.88Å; E165-E169 HydrophobicContact CG-CG 4.36Å; E165-E169 WeakPolarHBondContact CG-OE1 3.39Å; E165-E169 WeakPolarHBondContact O-CB 3.28Å; E165-E169 WeakPolarHBondContact O-CG 3.19Å; E165-E169 PolarHBondContact O-N 2.79Å; E165-K175 WeakPolarHBondContact OE1-CE 3.47Å; E165-K175 IonicContact OE1-NZ 2.79Å; E165-K175 PolarHBondContact OE1-NZ 3.5Å; E165-K175 IonicContact OE2-NZ 3.82Å; E165-I178 HydrophobicContact CB-CD1 4.15Å
166	Q	97.5	Very high	97.2	Very high	98 Å²	98	61.7 Å²	61.7	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-38.8	179.7	-72.6	-179.3	72.9	0	0	112.4	S162 I164 M168 E169 N170	S162-Q166 VanDerWaalsContact O-CB 3.26Å; S162-Q166 WeakPolarHBondContact O-CB 3.24Å; S162-Q166 VanDerWaalsContact O-CG 3.29Å; S162-Q166 WeakPolarHBondContact O-CG 3.37Å; S162-Q166 PolarHBondContact O-N 3.36Å; S162-Q166 PolarHBondContact O-NE2 3.08Å; S162-Q166 PolarHBondContact OG-NE2 3.16Å; I164-Q166 PolarHBondContact O-N 2.93Å; Q166-M168 VanDerWaalsContact C-N 3.29Å; Q166-M168 PolarHBondContact O-N 2.78Å; Q166-E169 PolarHBondContact O-N 3.47Å; Q166-N170 WeakPolarHBondContact O-CB 3.46Å; Q166-N170 PolarHBondContact O-N 3.31Å; Q166-N170 PolarHBondContact O-ND2 3.33Å
167	A	98.4	Very high	97.3	Very high	23 Å²	23	57.6 Å²	57.6	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-42.4	176.4	0	0	0	0	0	111.5	A150 I152 D163 I164 E165 F171	A150-A167 HydrophobicContact CB-CB 3.79Å; I152-A167 HydrophobicContact CD1-CB 3.56Å; D163-A167 VanDerWaalsContact O-CB 3.26Å; D163-A167 WeakPolarHBondContact O-CB 3.34Å; D163-A167 PolarHBondContact O-N 3.14Å; D163-A167 VanDerWaalsContact O-N 3.16Å; I164-A167 PolarHBondContact O-N 3.37Å; E165-A167 PolarHBondContact O-N 2.89Å; A167-F171 WeakPolarHBondContact O-CB 3.3Å; A167-F171 PolarHBondContact O-N 3.2Å
168	M	98	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.8	-46.6	178.2	-63.4	-170	76	0	0	112.4	L143 M146 I164 E165 Q166 N170 F171 Y172 P176 I178 I195	L143-M168 HydrophobicContact CD1-CE 3.89Å; M146-M168 HydrophobicContact CE-CB 4.27Å; M146-M168 HydrophobicContact CE-CE 3.78Å; M146-M168 HydrophobicContact CE-CG 3.57Å; M146-M168 HydrophobicContact CE-SD 4.36Å; M146-M168 HydrophobicContact SD-CG 4.36Å; I164-M168 HydrophobicContact CG2-CG 4.44Å; I164-M168 HydrophobicContact CG2-SD 4.12Å; I164-M168 VanDerWaalsContact O-CG 3.26Å; I164-M168 WeakPolarHBondContact O-CG 3.04Å; I164-M168 PolarHBondContact O-N 3.01Å; E165-M168 PolarHBondContact O-N 2.88Å; Q166-M168 VanDerWaalsContact C-N 3.29Å; Q166-M168 PolarHBondContact O-N 2.78Å; M168-N170 VanDerWaalsContact C-N 3.35Å; M168-N170 PolarHBondContact O-N 2.89Å; M168-F171 PolarHBondContact O-N 2.96Å; M168-Y172 HydrophobicContact CB-CD2 4.42Å; M168-Y172 HydrophobicContact CE-CE2 3.96Å; M168-Y172 WeakPolarHBondContact O-CD2 3.33Å; M168-Y172 PolarHBondContact O-N 2.94Å; M168-P176 HydrophobicContact CB-CG 3.99Å; M168-P176 HydrophobicContact CE-CB 3.83Å; M168-P176 HydrophobicContact CE-CG 3.66Å; M168-P176 HydrophobicContact SD-CG 4.34Å; M168-I178 HydrophobicContact SD-CD1 3.8Å; M168-I178 HydrophobicContact SD-CG1 3.96Å; M168-I195 HydrophobicContact CE-CD1 4.08Å; M168-I195 HydrophobicContact CE-CG2 3.41Å; M168-I195 VanDerWaalsContact CE-CG2 3.41Å; M168-I195 HydrophobicContact SD-CD1 4.05Å; M168-I195 HydrophobicContact SD-CG2 4.4Å
169	E	96.8	Very high	97.5	Very high	59 Å²	59	44.6 Å²	44.6	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-43.3	177.9	-75.3	-177.6	-175.4	0	0	111.1	E165 Q166 F171 G173 K175	E165-E169 HydrophobicContact CG-CG 4.36Å; E165-E169 WeakPolarHBondContact CG-OE1 3.39Å; E165-E169 WeakPolarHBondContact O-CB 3.28Å; E165-E169 WeakPolarHBondContact O-CG 3.19Å; E165-E169 PolarHBondContact O-N 2.79Å; Q166-E169 PolarHBondContact O-N 3.47Å; E169-F171 VanDerWaalsContact C-N 3.31Å; E169-F171 PolarHBondContact O-N 2.86Å; E169-G173 VanDerWaalsContact O-CA 3.29Å; E169-G173 WeakPolarHBondContact O-CA 3.37Å; E169-G173 PolarHBondContact O-N 3.04Å; E169-K175 HydrophobicContact CG-CB 4.34Å; E169-K175 HydrophobicContact CG-CG 4.43Å; E169-K175 WeakPolarHBondContact OE1-CD 3.35Å; E169-K175 VanDerWaalsContact OE1-CG 3.31Å; E169-K175 WeakPolarHBondContact OE1-CG 3.38Å; E169-K175 IonicContact OE1-NZ 3.72Å; E169-K175 PolarHBondContact OE1-NZ 3.05Å
170	N	97.6	Very high	97.5	Very high	137 Å²	137	42.9 Å²	42.9	73%	0.733	24%	0.238	S	C	*	.	H	α-helix	trans	-64.7	-33.6	177.1	-73.3	-31.5	0	0	0	113	Q166 M168	Q166-N170 WeakPolarHBondContact O-CB 3.46Å; Q166-N170 PolarHBondContact O-N 3.31Å; Q166-N170 PolarHBondContact O-ND2 3.33Å; M168-N170 VanDerWaalsContact C-N 3.35Å; M168-N170 PolarHBondContact O-N 2.89Å
171	F	98.1	Very high	97.4	Very high	107 Å²	107	40.9 Å²	40.9	47%	0.469	23%	0.225	S	C	.	.	H	α-helix	trans	-80.6	-45.8	-178.9	-173.8	-90	0	0	0	112.5	M146 A167 M168 E169	M146-F171 HydrophobicContact CB-CD1 4.09Å; M146-F171 HydrophobicContact CB-CE1 3.94Å; M146-F171 HydrophobicContact CB-CE2 4.45Å; M146-F171 HydrophobicContact CB-CG 4.4Å; M146-F171 HydrophobicContact CB-CZ 4.13Å; M146-F171 HydrophobicContact CG-CB 3.85Å; M146-F171 HydrophobicContact CG-CD1 3.31Å; M146-F171 HydrophobicContact CG-CD2 3.79Å; M146-F171 HydrophobicContact CG-CE1 3.69Å; M146-F171 HydrophobicContact CG-CE2 4.13Å; M146-F171 HydrophobicContact CG-CG 3.35Å; M146-F171 HydrophobicContact CG-CZ 4.08Å; M146-F171 HydrophobicContact SD-CB 4.43Å; A167-F171 WeakPolarHBondContact O-CB 3.3Å; A167-F171 PolarHBondContact O-N 3.2Å; M168-F171 PolarHBondContact O-N 2.96Å; E169-F171 VanDerWaalsContact C-N 3.31Å; E169-F171 PolarHBondContact O-N 2.86Å
172	Y	97.7	Very high	97.3	Very high	22 Å²	22	43.8 Å²	43.8	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-90.8	-18.9	-175.1	-65	-56.8	0	0	0	113.9	V141 M146 M168 V174 P176 I197 L205	V141-Y172 HydrophobicContact CB-CE1 4.13Å; V141-Y172 WeakPolarHBondContact O-CE1 3.39Å; V141-Y172 PolarHBondContact O-OH 3.43Å; M146-Y172 HydrophobicContact CE-CD2 4.42Å; M146-Y172 HydrophobicContact CE-CE2 3.46Å; M146-Y172 VanDerWaalsContact CE-CE2 3.46Å; M146-Y172 HydrophobicContact CG-CE2 4.41Å; M168-Y172 HydrophobicContact CB-CD2 4.42Å; M168-Y172 HydrophobicContact CE-CE2 3.96Å; M168-Y172 WeakPolarHBondContact O-CD2 3.33Å; M168-Y172 PolarHBondContact O-N 2.94Å; Y172-V174 PolarHBondContact O-N 2.99Å; Y172-P176 HydrophobicContact CD2-CG 4.12Å; Y172-I197 HydrophobicContact CE2-CD1 3.85Å; Y172-L205 HydrophobicContact CD1-CD1 4.24Å
173	G	97.4	Very high	97.1	Very high	68 Å²	68	42.9 Å²	42.9	70%	0.701	23%	0.231	S	C	*	.	S	Bend	trans	69.3	10	-174.4	0	0	0	0	0	114.2	E169	E169-G173 VanDerWaalsContact O-CA 3.29Å; E169-G173 WeakPolarHBondContact O-CA 3.37Å; E169-G173 PolarHBondContact O-N 3.04Å
174	V	96.5	Very high	96.6	Very high	21 Å²	21	45 Å²	45	13%	0.127	25%	0.254	C	S	.	.	S	Bend	trans	-139.3	162.9	176.2	-63.6	0	0	0	0	109	Y172 P176 L205 D207	Y172-V174 PolarHBondContact O-N 2.99Å; V174-P176 VanDerWaalsContact O-CD 3.27Å; V174-P176 WeakPolarHBondContact O-CD 3.45Å; V174-L205 HydrophobicContact CG1-CB 4.08Å; V174-L205 HydrophobicContact CG2-CB 3.94Å; V174-L205 HydrophobicContact CG2-CD2 4.27Å; V174-D207 VanDerWaalsContact CA-OD1 3.3Å; V174-D207 WeakPolarHBondContact CA-OD1 3.39Å; V174-D207 WeakPolarHBondContact CB-OD1 3.19Å
175	K	95.9	Very high	95.8	Very high	36 Å²	36	48.5 Å²	48.5	16%	0.157	28%	0.275	C	S	.	.			trans	-92.7	109.6	179.8	-172.8	172.6	-168.7	100.4	0	112.4	E165 E169 D207 C208	E165-K175 WeakPolarHBondContact OE1-CE 3.47Å; E165-K175 IonicContact OE1-NZ 2.79Å; E165-K175 PolarHBondContact OE1-NZ 3.5Å; E165-K175 IonicContact OE2-NZ 3.82Å; E169-K175 HydrophobicContact CG-CB 4.34Å; E169-K175 HydrophobicContact CG-CG 4.43Å; E169-K175 WeakPolarHBondContact OE1-CD 3.35Å; E169-K175 VanDerWaalsContact OE1-CG 3.31Å; E169-K175 WeakPolarHBondContact OE1-CG 3.38Å; E169-K175 IonicContact OE1-NZ 3.72Å; E169-K175 PolarHBondContact OE1-NZ 3.05Å; K175-D207 PolarHBondContact N-OD1 3.45Å; K175-C208 PolarHBondContact O-N 3.32Å
176	P	96.8	Very high	94.7	Very high	7 Å²	7	54 Å²	54	5%	0.045	31%	0.305	C	S	.	.			trans	-74.9	165.6	170.9	-14.7	34.4	0	0	0	110.9	M168 Y172 V174 I195 E196 I197	M168-P176 HydrophobicContact CB-CG 3.99Å; M168-P176 HydrophobicContact CE-CB 3.83Å; M168-P176 HydrophobicContact CE-CG 3.66Å; M168-P176 HydrophobicContact SD-CG 4.34Å; Y172-P176 HydrophobicContact CD2-CG 4.12Å; V174-P176 VanDerWaalsContact O-CD 3.27Å; V174-P176 WeakPolarHBondContact O-CD 3.45Å; P176-I195 HydrophobicContact CB-CG2 4.49Å; P176-E196 WeakPolarHBondContact CA-O 3.27Å; P176-E196 VanDerWaalsContact CB-O 3.29Å; P176-E196 WeakPolarHBondContact CB-O 3.38Å; P176-I197 HydrophobicContact CB-CG1 4.31Å
177	K	97.6	Very high	94	Very high	43 Å²	43	53.8 Å²	53.8	19%	0.187	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.2	170.6	164.1	162	162.8	-112.1	0	109.9	Q179 I195 E196 C208 V232	K177-Q179 HydrophobicContact CG-CG 4.16Å; K177-I195 WeakPolarHBondContact O-CA 3.42Å; K177-E196 HydrophobicContact CB-CB 4.02Å; K177-E196 WeakPolarHBondContact CD-OE2 3.19Å; K177-E196 HydrophobicContact CG-CB 4.45Å; K177-E196 PolarHBondContact N-O 2.92Å; K177-E196 VanDerWaalsContact NZ-CD 3.3Å; K177-E196 IonicContact NZ-OE1 2.67Å; K177-E196 PolarHBondContact NZ-OE1 3.26Å; K177-E196 VanDerWaalsContact NZ-OE1 3.11Å; K177-E196 IonicContact NZ-OE2 3.34Å; K177-E196 PolarHBondContact NZ-OE2 3.37Å; K177-E196 PolarHBondContact O-N 3.34Å; K177-C208 HydrophobicContact CB-CB 3.93Å; K177-V232 HydrophobicContact CD-CG2 3.94Å; K177-V232 HydrophobicContact CG-CG2 4.07Å
178	I	98.1	Very high	93.7	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.3	-175.4	-50.4	168.1	0	0	0	108.1	F161 I164 E165 M168 L192 I195 V232 C233	F161-I178 HydrophobicContact CE2-CB 4.13Å; F161-I178 HydrophobicContact CE2-CD1 4.08Å; I164-I178 HydrophobicContact CB-CD1 4.49Å; I164-I178 HydrophobicContact CG2-CD1 3.86Å; E165-I178 HydrophobicContact CB-CD1 4.15Å; M168-I178 HydrophobicContact SD-CD1 3.8Å; M168-I178 HydrophobicContact SD-CG1 3.96Å; I178-L192 HydrophobicContact CG2-CD1 3.44Å; I178-L192 VanDerWaalsContact CG2-CD1 3.44Å; I178-I195 HydrophobicContact CG2-CG1 4.26Å; I178-V232 WeakPolarHBondContact O-CA 3.43Å; I178-C233 PolarHBondContact O-N 3.28Å
179	Q	98.2	Very high	93.7	Very high	17 Å²	17	58.5 Å²	58.5	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.9	-173.8	-67.2	169.3	-66.6	0	0	112.2	K177 G193 Q194 E196 L230 S231	K177-Q179 HydrophobicContact CG-CG 4.16Å; Q179-G193 PolarHBondContact O-N 2.85Å; Q179-Q194 HydrophobicContact CB-CB 4.13Å; Q179-Q194 PolarHBondContact N-O 3.24Å; Q179-Q194 PolarHBondContact O-N 2.88Å; Q179-E196 PolarHBondContact OE1-OE1 3.18Å; Q179-L230 HydrophobicContact CB-CB 4.33Å; Q179-S231 CarbonylContact C-O 3.53Å; Q179-S231 WeakPolarHBondContact CA-O 3.15Å; Q179-S231 WeakPolarHBondContact CB-O 3.49Å
180	C	98.1	Very high	93.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.9	-175.3	-69.1	0	0	0	0	111.1	Q190 T191 S231 C233	C180-Q190 HydrophobicContact CB-CB 3.92Å; C180-Q190 HydrophobicContact CB-CG 3.96Å; C180-T191 CarbonylContact C-O 3.55Å; C180-T191 WeakPolarHBondContact CA-O 3.18Å; C180-T191 WeakPolarHBondContact CB-O 3.49Å; C180-S231 PolarHBondContact N-O 3.3Å; C180-S231 PolarHBondContact O-N 2.86Å; C180-S231 VanDerWaalsContact O-N 3.1Å; C180-C233 HydrophobicContact CB-CB 3.93Å; C180-C233 WeakPolarHBondContact CB-SG 3.03Å; C180-C233 PolarHBondContact N-SG 3.3Å; C180-C233 WeakPolarHBondContact SG-CB 3.37Å; C180-C233 CovalentContact SG-SG 2.04Å; C180-C233 PolarHBondContact SG-SG 2.96Å
181	L	96.8	Very high	93.7	Very high	29 Å²	29	50.6 Å²	50.6	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.6	156.5	-63.1	177.2	0	0	0	107.6	T46 T50 Q190 T191 S228 L230	T46-L181 HydrophobicContact CG2-CD1 3.51Å; T46-L181 HydrophobicContact CG2-CG 3.83Å; T50-L181 HydrophobicContact CG2-CD1 3.43Å; T50-L181 VanDerWaalsContact CG2-CD1 3.43Å; T50-L181 HydrophobicContact CG2-CD2 4.17Å; T50-L181 HydrophobicContact CG2-CG 4.47Å; L181-Q190 CarbonylContact O-C 3.46Å; L181-Q190 WeakPolarHBondContact O-CA 3.32Å; L181-Q190 WeakPolarHBondContact O-CB 3.39Å; L181-T191 PolarHBondContact N-O 3.09Å; L181-T191 PolarHBondContact O-N 2.85Å; L181-S228 WeakPolarHBondContact CD2-O 3.48Å; L181-L230 HydrophobicContact CD2-CD2 3.69Å; L181-L230 HydrophobicContact CD2-CG 4.01Å; L181-L230 HydrophobicContact CG-CD2 3.78Å
182	H	95	Very high	93.7	Very high	78 Å²	78	45.5 Å²	45.5	36%	0.361	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-79.1	140.8	178.7	-74.1	-90.5	0	0	0	110.5	S231 V232	H182-S231 PolarHBondContact CD2-OG 3.37Å; H182-S231 PolarHBondContact NE2-OG 3.47Å; H182-V232 PolarHBondContact CE1-O 3.25Å; H182-V232 PolarHBondContact NE2-O 3.19Å
183	P	92.1	Very high	93.7	Very high	30 Å²	30	44.6 Å²	44.6	20%	0.195	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.5	155.9	176.6	31.9	-35.6	0	0	0	110.3	T185 E188 I237	P183-T185 VanDerWaalsContact CB-O 3.28Å; P183-T185 WeakPolarHBondContact CB-O 3.38Å; P183-T185 VanDerWaalsContact CG-O 3.28Å; P183-T185 WeakPolarHBondContact CG-O 3.26Å; P183-T185 PolarHBondContact O-N 3.46Å; P183-E188 HydrophobicContact CB-CB 3.7Å; P183-E188 WeakPolarHBondContact CG-O 3.49Å; P183-I237 HydrophobicContact CG-CG2 4.48Å
184	S	85.6	Confident	93.8	Very high	133 Å²	133	41.6 Å²	41.6	93%	0.93	24%	0.238	S	C	*	.	S	Bend	trans	-70.1	-20.1	173.1	-60	0	0	0	0	112.8
185	T	81.7	Confident	93.9	Very high	72 Å²	72	40.6 Å²	40.6	44%	0.442	23%	0.231	S	C	.	.	S	Bend	trans	-136	149.7	178.8	62.3	0	0	0	0	110.4	P183 S187 E188	P183-T185 VanDerWaalsContact CB-O 3.28Å; P183-T185 WeakPolarHBondContact CB-O 3.38Å; P183-T185 VanDerWaalsContact CG-O 3.28Å; P183-T185 WeakPolarHBondContact CG-O 3.26Å; P183-T185 PolarHBondContact O-N 3.46Å; T185-S187 PolarHBondContact O-N 2.89Å; T185-S187 VanDerWaalsContact O-N 3.08Å; T185-S187 PolarHBondContact OG1-OG 2.83Å; T185-E188 PolarHBondContact O-N 3.19Å
186	N	75.6	Confident	94	Very high	149 Å²	149	39.4 Å²	39.4	80%	0.797	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-0.7	179.1	-65.9	-13.9	0	0	0	114.2
187	S	82.9	Confident	94.1	Very high	95 Å²	95	39.1 Å²	39.1	66%	0.664	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.8	177.3	58	0	0	0	0	113.2	T185	T185-S187 PolarHBondContact O-N 2.89Å; T185-S187 VanDerWaalsContact O-N 3.08Å; T185-S187 PolarHBondContact OG1-OG 2.83Å
188	E	92.1	Very high	94.1	Very high	106 Å²	106	37.1 Å²	37.1	50%	0.495	22%	0.216	S	C	.	.	S	Bend	trans	-103.7	153.4	-178.4	-64.1	-59.6	148.6	0	0	110.5	P183 T185	P183-E188 HydrophobicContact CB-CB 3.7Å; P183-E188 WeakPolarHBondContact CG-O 3.49Å; T185-E188 PolarHBondContact O-N 3.19Å
189	P	96.3	Very high	94.1	Very high	15 Å²	15	37 Å²	37	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.3	155.8	171	33.5	-38.5	0	0	0	110.9	Y158 P238	Y158-P189 HydrophobicContact CD1-CB 4.26Å; Y158-P189 HydrophobicContact CD1-CG 4.25Å; Y158-P189 HydrophobicContact CD2-CB 4.21Å; Y158-P189 HydrophobicContact CD2-CG 4.41Å; Y158-P189 HydrophobicContact CE1-CB 4.31Å; Y158-P189 HydrophobicContact CE1-CG 3.8Å; Y158-P189 HydrophobicContact CE2-CB 4.23Å; Y158-P189 HydrophobicContact CE2-CG 3.95Å; Y158-P189 HydrophobicContact CG-CB 4.23Å; P189-P238 CarbonylContact C-O 3.57Å; P189-P238 VanDerWaalsContact CA-O 3.22Å; P189-P238 WeakPolarHBondContact CA-O 3.01Å; P189-P238 HydrophobicContact CB-CB 4.33Å; P189-P238 VanDerWaalsContact CB-O 3.24Å; P189-P238 WeakPolarHBondContact CB-O 3.47Å
190	Q	97.8	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	149.8	163.5	63.5	-172.7	-32.2	0	0	109.8	C180 L181 S234 I237 P238 V239 Y240	C180-Q190 HydrophobicContact CB-CB 3.92Å; C180-Q190 HydrophobicContact CB-CG 3.96Å; L181-Q190 CarbonylContact O-C 3.46Å; L181-Q190 WeakPolarHBondContact O-CA 3.32Å; L181-Q190 WeakPolarHBondContact O-CB 3.39Å; Q190-S234 PolarHBondContact NE2-O 3Å; Q190-I237 HydrophobicContact CB-CG2 4.07Å; Q190-I237 HydrophobicContact CG-CB 4.35Å; Q190-I237 HydrophobicContact CG-CG2 4.05Å; Q190-I237 PolarHBondContact NE2-O 2.98Å; Q190-P238 WeakPolarHBondContact CG-O 3.5Å; Q190-P238 PolarHBondContact N-O 3.33Å; Q190-V239 HydrophobicContact CG-CG2 4.03Å; Q190-V239 CarbonylContact O-C 3.49Å; Q190-V239 WeakPolarHBondContact O-CA 3.42Å; Q190-Y240 PolarHBondContact O-N 3Å
191	T	97.8	Very high	93.5	Very high	30 Å²	30	39 Å²	39	18%	0.184	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.5	-175.4	-54.6	0	0	0	0	110.8	T46 C180 L181 G193 Y240 P242	T46-T191 HydrophobicContact CG2-CG2 3.8Å; T46-T191 WeakPolarHBondContact OG1-CG2 3.47Å; C180-T191 CarbonylContact C-O 3.55Å; C180-T191 WeakPolarHBondContact CA-O 3.18Å; C180-T191 WeakPolarHBondContact CB-O 3.49Å; L181-T191 PolarHBondContact N-O 3.09Å; L181-T191 PolarHBondContact O-N 2.85Å; T191-G193 PolarHBondContact O-N 3.07Å; T191-Y240 WeakPolarHBondContact CA-O 3.31Å; T191-Y240 HydrophobicContact CG2-CD1 4.14Å; T191-P242 HydrophobicContact CG2-CG 3.84Å
192	L	98.4	Very high	93.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.8	178.3	-179.4	60.1	0	0	0	110.7	T46 W60 I164 I178 I195 V239 Y240 Y241	T46-L192 WeakPolarHBondContact CB-O 3.27Å; T46-L192 PolarHBondContact OG1-O 2.97Å; W60-L192 HydrophobicContact CH2-CD1 4.21Å; W60-L192 HydrophobicContact CH2-CD2 4.15Å; W60-L192 HydrophobicContact CH2-CG 3.84Å; W60-L192 HydrophobicContact CZ2-CD2 3.74Å; W60-L192 HydrophobicContact CZ2-CG 3.93Å; I164-L192 HydrophobicContact CD1-CD2 4.37Å; I178-L192 HydrophobicContact CG2-CD1 3.44Å; I178-L192 VanDerWaalsContact CG2-CD1 3.44Å; L192-I195 HydrophobicContact CD1-CD1 4.5Å; L192-I195 HydrophobicContact CD1-CG1 4.42Å; L192-V239 HydrophobicContact CB-CG1 3.74Å; L192-Y240 PolarHBondContact N-O 3.11Å; L192-Y241 HydrophobicContact CD2-CD2 4.12Å; L192-Y241 HydrophobicContact CD2-CG 4.12Å
193	G	97.6	Very high	93.3	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-34.2	-171.6	0	0	0	0	0	116.4	Q42 W43 Q179 T191	Q42-G193 CarbonylContact C-O 3.42Å; Q42-G193 WeakPolarHBondContact CA-O 3.41Å; W43-G193 PolarHBondContact N-O 3.41Å; Q179-G193 PolarHBondContact O-N 2.85Å; T191-G193 PolarHBondContact O-N 3.07Å
194	Q	98.5	Very high	93.5	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.023	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.4	-177.9	177.5	168.8	-69.5	0	0	111	T40 Q41 H63 Q179 E196 L230	T40-Q194 HydrophobicContact CG2-CG 3.51Å; T40-Q194 VanDerWaalsContact CG2-NE2 3.27Å; Q41-Q194 CarbonylContact O-C 3.5Å; Q41-Q194 VanDerWaalsContact O-CA 3.29Å; Q41-Q194 WeakPolarHBondContact O-CA 3.3Å; Q41-Q194 WeakPolarHBondContact O-CG 3.35Å; H63-Q194 PolarHBondContact ND1-OE1 3.16Å; Q179-Q194 HydrophobicContact CB-CB 4.13Å; Q179-Q194 PolarHBondContact N-O 3.24Å; Q179-Q194 PolarHBondContact O-N 2.88Å; Q194-E196 PolarHBondContact NE2-OE1 2.92Å; Q194-L230 HydrophobicContact CB-CD1 3.72Å
195	I	98.7	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.9	175.1	-71	174.8	0	0	0	107.9	Q41 W60 L143 M168 P176 K177 I178 L192 I197	Q41-I195 PolarHBondContact N-O 2.95Å; Q41-I195 PolarHBondContact O-N 3.07Å; W60-I195 HydrophobicContact CH2-CB 4.43Å; W60-I195 HydrophobicContact CH2-CD1 3.65Å; W60-I195 HydrophobicContact CH2-CG1 3.74Å; W60-I195 HydrophobicContact CZ2-CD1 3.76Å; W60-I195 HydrophobicContact CZ2-CG1 4.38Å; W60-I195 HydrophobicContact CZ3-CB 4.18Å; W60-I195 HydrophobicContact CZ3-CD1 4.17Å; W60-I195 HydrophobicContact CZ3-CG1 3.99Å; L143-I195 HydrophobicContact CD1-CD1 4.12Å; L143-I195 HydrophobicContact CD1-CG2 4.38Å; L143-I195 HydrophobicContact CD2-CB 4.06Å; L143-I195 HydrophobicContact CD2-CD1 4.11Å; L143-I195 HydrophobicContact CD2-CG2 4.12Å; M168-I195 HydrophobicContact CE-CD1 4.08Å; M168-I195 HydrophobicContact CE-CG2 3.41Å; M168-I195 VanDerWaalsContact CE-CG2 3.41Å; M168-I195 HydrophobicContact SD-CD1 4.05Å; M168-I195 HydrophobicContact SD-CG2 4.4Å; P176-I195 HydrophobicContact CB-CG2 4.49Å; K177-I195 WeakPolarHBondContact O-CA 3.42Å; I178-I195 HydrophobicContact CG2-CG1 4.26Å; L192-I195 HydrophobicContact CD1-CD1 4.5Å; L192-I195 HydrophobicContact CD1-CG1 4.42Å; I195-I197 HydrophobicContact CG2-CG1 4.22Å
196	E	98.6	Very high	94.7	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.5	177.5	-73.2	175.3	-168.1	0	0	109	I38 L39 T40 P176 K177 Q179 Q194 C208	I38-E196 HydrophobicContact CG2-CB 3.63Å; I38-E196 HydrophobicContact CG2-CG 3.72Å; L39-E196 WeakPolarHBondContact O-CA 3.31Å; T40-E196 HydrophobicContact CG2-CG 4.03Å; P176-E196 WeakPolarHBondContact CA-O 3.27Å; P176-E196 VanDerWaalsContact CB-O 3.29Å; P176-E196 WeakPolarHBondContact CB-O 3.38Å; K177-E196 HydrophobicContact CB-CB 4.02Å; K177-E196 WeakPolarHBondContact CD-OE2 3.19Å; K177-E196 HydrophobicContact CG-CB 4.45Å; K177-E196 PolarHBondContact N-O 2.92Å; K177-E196 VanDerWaalsContact NZ-CD 3.3Å; K177-E196 IonicContact NZ-OE1 2.67Å; K177-E196 PolarHBondContact NZ-OE1 3.26Å; K177-E196 VanDerWaalsContact NZ-OE1 3.11Å; K177-E196 IonicContact NZ-OE2 3.34Å; K177-E196 PolarHBondContact NZ-OE2 3.37Å; K177-E196 PolarHBondContact O-N 3.34Å; Q179-E196 PolarHBondContact OE1-OE1 3.18Å; Q194-E196 PolarHBondContact NE2-OE1 2.92Å; E196-C208 PolarHBondContact O-SG 3.35Å
197	I	98.6	Very high	95.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.8	174	-59.9	171.4	0	0	0	108	L39 V141 Y172 P176 I195 F199 L205	L39-I197 WeakPolarHBondContact CB-O 3.42Å; L39-I197 PolarHBondContact N-O 3.29Å; L39-I197 PolarHBondContact O-N 3.36Å; V141-I197 HydrophobicContact CB-CD1 3.76Å; V141-I197 HydrophobicContact CG1-CD1 3.86Å; V141-I197 HydrophobicContact CG1-CG2 4.03Å; V141-I197 HydrophobicContact CG2-CD1 3.99Å; Y172-I197 HydrophobicContact CE2-CD1 3.85Å; P176-I197 HydrophobicContact CB-CG1 4.31Å; I195-I197 HydrophobicContact CG2-CG1 4.22Å; I197-F199 HydrophobicContact CB-CE2 4.5Å; I197-F199 HydrophobicContact CG2-CE2 3.97Å; I197-F199 HydrophobicContact CG2-CZ 4.09Å; I197-L205 HydrophobicContact CG2-CD2 3.51Å
198	C	98.3	Very high	96.1	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.6	-171.7	-60.8	0	0	0	0	111.9	K36 V37 Y206 C208	K36-C198 HydrophobicContact CD-CB 4.36Å; V37-C198 WeakPolarHBondContact O-CA 3.45Å; C198-Y206 CarbonylContact C-O 3.57Å; C198-Y206 WeakPolarHBondContact CB-O 3.4Å; C198-Y206 PolarHBondContact O-N 3.31Å; C198-Y206 VanDerWaalsContact O-O 3.13Å; C198-C208 HydrophobicContact CB-CB 4.06Å; C198-C208 WeakPolarHBondContact CB-SG 3.36Å; C198-C208 PolarHBondContact N-SG 3.34Å; C198-C208 WeakPolarHBondContact SG-CA 3.49Å; C198-C208 WeakPolarHBondContact SG-CB 2.97Å; C198-C208 CovalentContact SG-SG 2.05Å; C198-C208 PolarHBondContact SG-SG 2.92Å
199	F	97.8	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.5	176.2	-59.2	-95.9	0	0	0	110.5	K36 V37 L39 L137 V141 I197 F203 T204 L205	K36-F199 CarbonylContact C-O 3.46Å; K36-F199 WeakPolarHBondContact CA-O 3.34Å; K36-F199 WeakPolarHBondContact CB-O 3.43Å; V37-F199 HydrophobicContact CG2-CB 3.91Å; V37-F199 PolarHBondContact N-O 2.93Å; V37-F199 PolarHBondContact O-N 3.02Å; L39-F199 HydrophobicContact CB-CD2 4.35Å; L39-F199 HydrophobicContact CB-CE2 3.8Å; L39-F199 HydrophobicContact CD2-CE2 4.22Å; L137-F199 HydrophobicContact CB-CE2 4.39Å; L137-F199 HydrophobicContact CB-CZ 4.36Å; L137-F199 HydrophobicContact CD1-CD2 4.09Å; L137-F199 HydrophobicContact CD1-CE2 4.15Å; L137-F199 HydrophobicContact CD1-CG 4.47Å; L137-F199 HydrophobicContact CD2-CD1 4.16Å; L137-F199 HydrophobicContact CD2-CE1 3.81Å; L137-F199 HydrophobicContact CD2-CE2 4.32Å; L137-F199 HydrophobicContact CD2-CZ 3.89Å; L137-F199 HydrophobicContact CG-CZ 4.48Å; V141-F199 HydrophobicContact CG1-CE2 4.3Å; V141-F199 HydrophobicContact CG1-CZ 3.59Å; I197-F199 HydrophobicContact CB-CE2 4.5Å; I197-F199 HydrophobicContact CG2-CE2 3.97Å; I197-F199 HydrophobicContact CG2-CZ 4.09Å; F199-F203 WeakPolarHBondContact CD1-O 3.49Å; F199-T204 CarbonylContact C-O 3.59Å; F199-T204 WeakPolarHBondContact CA-O 3.28Å; F199-L205 HydrophobicContact CD1-CD2 4.15Å; F199-L205 HydrophobicContact CD1-CG 4.43Å; F199-L205 HydrophobicContact CE1-CD2 3.54Å; F199-L205 HydrophobicContact CE1-CG 3.98Å; F199-L205 HydrophobicContact CZ-CD2 3.79Å
200	D	94.5	Very high	94	Very high	41 Å²	41	36.5 Å²	36.5	22%	0.219	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	179	168.8	69	15.4	0	0	0	112	D202 F203 T204 Y206	D200-D202 PolarHBondContact O-N 3.22Å; D200-D202 VanDerWaalsContact O-N 3.1Å; D200-D202 WeakPolarHBondContact OD1-CA 3.48Å; D200-D202 PolarHBondContact OD1-N 2.85Å; D200-F203 PolarHBondContact O-N 3.09Å; D200-F203 PolarHBondContact OD1-N 2.83Å; D200-F203 VanDerWaalsContact OD1-N 3.14Å; D200-T204 PolarHBondContact N-O 3.42Å; D200-T204 WeakPolarHBondContact OD1-CB 3.48Å; D200-T204 PolarHBondContact OD1-N 2.98Å; D200-T204 WeakPolarHBondContact OD2-CB 3.26Å; D200-Y206 HydrophobicContact CB-CD2 4.28Å
201	A	88.5	Confident	91.8	Very high	19 Å²	19	43.2 Å²	43.2	16%	0.157	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16	-179.5	0	0	0	0	0	114.6	W34	W34-A201 HydrophobicContact CZ3-CB 4.19Å
202	D	91.4	Very high	89.1	Confident	127 Å²	127	50.6 Å²	50.6	68%	0.679	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	9.1	178.2	-61.1	-42.2	0	0	0	112	D200 T204	D200-D202 PolarHBondContact O-N 3.22Å; D200-D202 VanDerWaalsContact O-N 3.1Å; D200-D202 WeakPolarHBondContact OD1-CA 3.48Å; D200-D202 PolarHBondContact OD1-N 2.85Å; D202-T204 VanDerWaalsContact C-N 3.3Å; D202-T204 PolarHBondContact O-N 2.03Å
203	F	96.4	Very high	86.2	Confident	20 Å²	20	54.7 Å²	54.7	9%	0.088	28%	0.281	C	S	.	.	S	Bend	trans	63.6	31	-178.1	-48.7	-72	0	0	0	114.4	V37 L124 K133 L137 K140 F199 D200	V37-F203 HydrophobicContact CG2-CD1 4.1Å; V37-F203 HydrophobicContact CG2-CE1 4.13Å; L124-F203 HydrophobicContact CD1-CE1 4.08Å; L124-F203 HydrophobicContact CD1-CZ 3.96Å; L124-F203 HydrophobicContact CD2-CE1 4.11Å; L124-F203 HydrophobicContact CD2-CZ 3.67Å; L124-F203 HydrophobicContact CG-CE1 4.35Å; L124-F203 HydrophobicContact CG-CZ 3.78Å; K133-F203 HydrophobicContact CD-CD1 4.07Å; K133-F203 HydrophobicContact CD-CD2 4.25Å; K133-F203 HydrophobicContact CD-CE1 4.14Å; K133-F203 HydrophobicContact CD-CE2 4.32Å; K133-F203 HydrophobicContact CD-CG 4.11Å; K133-F203 HydrophobicContact CD-CZ 4.27Å; K133-F203 HydrophobicContact CG-CD1 4.08Å; K133-F203 HydrophobicContact CG-CE1 3.74Å; K133-F203 HydrophobicContact CG-CE2 4.49Å; K133-F203 HydrophobicContact CG-CZ 3.97Å; L137-F203 HydrophobicContact CD1-CD1 4.02Å; L137-F203 HydrophobicContact CD2-CB 4.27Å; K140-F203 PolarHBondContact NZ-O 3.37Å; F199-F203 WeakPolarHBondContact CD1-O 3.49Å; D200-F203 PolarHBondContact O-N 3.09Å; D200-F203 PolarHBondContact OD1-N 2.83Å; D200-F203 VanDerWaalsContact OD1-N 3.14Å
204	T	96.8	Very high	83.4	Confident	80 Å²	80	60.6 Å²	60.6	49%	0.491	32%	0.316	S	S	.	.			trans	-90.8	140.1	168.4	-52.6	0	0	0	0	109.4	F199 D200 D202 Y206	F199-T204 CarbonylContact C-O 3.59Å; F199-T204 WeakPolarHBondContact CA-O 3.28Å; D200-T204 PolarHBondContact N-O 3.42Å; D200-T204 WeakPolarHBondContact OD1-CB 3.48Å; D200-T204 PolarHBondContact OD1-N 2.98Å; D200-T204 WeakPolarHBondContact OD2-CB 3.26Å; D202-T204 VanDerWaalsContact C-N 3.3Å; D202-T204 PolarHBondContact O-N 2.03Å; T204-Y206 PolarHBondContact O-N 3.09Å
205	L	97.7	Very high	80.7	Confident	52 Å²	52	67.7 Å²	67.7	27%	0.272	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	136.3	177.3	-75.7	169.4	0	0	0	110.6	Y172 V174 I197 F199	Y172-L205 HydrophobicContact CD1-CD1 4.24Å; V174-L205 HydrophobicContact CG1-CB 4.08Å; V174-L205 HydrophobicContact CG2-CB 3.94Å; V174-L205 HydrophobicContact CG2-CD2 4.27Å; I197-L205 HydrophobicContact CG2-CD2 3.51Å; F199-L205 HydrophobicContact CD1-CD2 4.15Å; F199-L205 HydrophobicContact CD1-CG 4.43Å; F199-L205 HydrophobicContact CE1-CD2 3.54Å; F199-L205 HydrophobicContact CE1-CG 3.98Å; F199-L205 HydrophobicContact CZ-CD2 3.79Å
206	Y	93.9	Very high	77.6	Confident	99 Å²	99	73.8 Å²	73.8	39%	0.388	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147	-173.8	-171.8	-88.6	0	0	0	109.8	K36 C198 D200 T204 C208	K36-Y206 HydrophobicContact CD-CD1 4.34Å; C198-Y206 CarbonylContact C-O 3.57Å; C198-Y206 WeakPolarHBondContact CB-O 3.4Å; C198-Y206 PolarHBondContact O-N 3.31Å; C198-Y206 VanDerWaalsContact O-O 3.13Å; D200-Y206 HydrophobicContact CB-CD2 4.28Å; T204-Y206 PolarHBondContact O-N 3.09Å; Y206-C208 PolarHBondContact O-N 3.32Å
207	D	95.4	Very high	75	Confident	50 Å²	50	82 Å²	82	27%	0.267	44%	0.435	S	S	.	.			trans	-61.6	131.1	178.5	-67.8	-38.4	0	0	0	111.8	V174 K175 E209 H211	V174-D207 VanDerWaalsContact CA-OD1 3.3Å; V174-D207 WeakPolarHBondContact CA-OD1 3.39Å; V174-D207 WeakPolarHBondContact CB-OD1 3.19Å; K175-D207 PolarHBondContact N-OD1 3.45Å; D207-E209 VanDerWaalsContact C-N 3.29Å; D207-E209 WeakPolarHBondContact CB-O 3.49Å; D207-E209 PolarHBondContact O-N 2.9Å; D207-H211 IonicContact OD2-CD2 3.31Å
208	C	92.9	Very high	71.8	Confident	12 Å²	12	86.5 Å²	86.5	8%	0.081	47%	0.467	C	S	.	.	S	Bend	trans	-69.2	-30.6	177.9	-78.2	0	0	0	0	112.8	K36 K175 K177 E196 C198 Y206	K36-C208 PolarHBondContact NZ-O 2.88Å; K175-C208 PolarHBondContact O-N 3.32Å; K177-C208 HydrophobicContact CB-CB 3.93Å; E196-C208 PolarHBondContact O-SG 3.35Å; C198-C208 HydrophobicContact CB-CB 4.06Å; C198-C208 WeakPolarHBondContact CB-SG 3.36Å; C198-C208 PolarHBondContact N-SG 3.34Å; C198-C208 WeakPolarHBondContact SG-CA 3.49Å; C198-C208 WeakPolarHBondContact SG-CB 2.97Å; C198-C208 CovalentContact SG-SG 2.05Å; C198-C208 PolarHBondContact SG-SG 2.92Å; Y206-C208 PolarHBondContact O-N 3.32Å
209	E	82.8	Confident	69.3	Low	72 Å²	72	98.7 Å²	98.7	34%	0.336	51%	0.513	S	S	.	.	S	Bend	trans	-108.7	139.5	174.2	-62.9	-172.2	171.6	0	0	110.1	D207 H211	D207-E209 VanDerWaalsContact C-N 3.29Å; D207-E209 WeakPolarHBondContact CB-O 3.49Å; D207-E209 PolarHBondContact O-N 2.9Å; E209-H211 PolarHBondContact O-N 3.46Å
210	K	62.8	Low	66.2	Low	143 Å²	143	101.5 Å²	101.5	62%	0.622	54%	0.541	S	S	*	.			trans	-74.3	119.8	170.5	-69.6	-175.1	179.4	-178.5	0	107.9	F212	K210-F212 VanDerWaalsContact C-N 3.3Å; K210-F212 HydrophobicContact CB-CD2 4.49Å; K210-F212 HydrophobicContact CB-CE2 4.18Å; K210-F212 HydrophobicContact CB-CZ 4.45Å; K210-F212 PolarHBondContact O-N 2.97Å
211	H	49.7	Very low	63.3	Low	140 Å²	140	108.2 Å²	108.2	65%	0.648	57%	0.571	S	S	*	*			trans	-63.3	93.8	163.5	-73.9	-79.8	0	0	0	108.8	D207 E209 A213	D207-H211 IonicContact OD2-CD2 3.31Å; E209-H211 PolarHBondContact O-N 3.46Å; H211-A213 PolarHBondContact O-N 2.9Å; H211-A213 VanDerWaalsContact O-N 3.1Å
212	F	42.5	Very low	60.7	Low	185 Å²	185	114 Å²	114	81%	0.811	59%	0.589	S	S	*	*			trans	-70	105	162.1	-68.3	-78	0	0	0	106.9	K210 T214	K210-F212 VanDerWaalsContact C-N 3.3Å; K210-F212 HydrophobicContact CB-CD2 4.49Å; K210-F212 HydrophobicContact CB-CE2 4.18Å; K210-F212 HydrophobicContact CB-CZ 4.45Å; K210-F212 PolarHBondContact O-N 2.97Å; F212-T214 PolarHBondContact O-N 3Å
213	A	36.3	Very low	58.1	Low	87 Å²	87	115.6 Å²	115.6	72%	0.719	60%	0.598	S	S	*	*			trans	-57.3	112.5	172.3	0	0	0	0	0	109.7	H211	H211-A213 PolarHBondContact O-N 2.9Å; H211-A213 VanDerWaalsContact O-N 3.1Å
214	T	38.4	Very low	55.1	Low	126 Å²	126	121.8 Å²	121.8	77%	0.773	63%	0.627	S	S	*	*	S	Bend	trans	76.2	125	159.7	65.4	0	0	0	0	120.4	F212	F212-T214 PolarHBondContact O-N 3Å
215	N	42.1	Very low	52.3	Low	154 Å²	154	121.3 Å²	121.3	82%	0.824	62%	0.621	S	S	*	*			trans	53.2	78.6	147.2	-71.5	-13.9	0	0	0	119
216	T	33.3	Very low	49.6	Very low	128 Å²	128	127.7 Å²	127.7	79%	0.785	65%	0.647	S	S	*	*				-160.5	132.8	129.1	-17.9	0	0	0	0	109.5	S218	T216-S218 VanDerWaalsContact C-N 3.26Å; T216-S218 PolarHBondContact O-N 2.87Å
217	L	44	Very low	47.6	Very low	184 Å²	184	127.7 Å²	127.7	96%	0.963	66%	0.661	S	S	*	*			trans	-55.4	89.9	166.7	-72.3	160.9	0	0	0	109.4
218	S	32.5	Very low	46.2	Very low	96 Å²	96	126.6 Å²	126.6	67%	0.671	66%	0.658	S	S	*	*			trans	-117.3	82.6	172.2	-53.1	0	0	0	0	107.2	T216 G220	T216-S218 VanDerWaalsContact C-N 3.26Å; T216-S218 PolarHBondContact O-N 2.87Å; S218-G220 VanDerWaalsContact C-N 3.32Å; S218-G220 PolarHBondContact O-N 2.84Å; S218-G220 VanDerWaalsContact O-N 3.08Å
219	R	45.8	Very low	45.9	Very low	258 Å²	258	128.8 Å²	128.8	97%	0.974	68%	0.682	S	S	*	*			trans	-72.2	91.7	167.8	-157.3	178.4	-164.2	169.8	4.7	106.6
220	G	33.3	Very low	46.4	Very low	58 Å²	58	126.7 Å²	126.7	60%	0.598	67%	0.673	S	S	*	*			trans	169.6	136.6	176.9	0	0	0	0	0	108.7	S218	S218-G220 VanDerWaalsContact C-N 3.32Å; S218-G220 PolarHBondContact O-N 2.84Å; S218-G220 VanDerWaalsContact O-N 3.08Å
221	Q	32.8	Very low	47.9	Very low	182 Å²	182	122 Å²	122	85%	0.85	66%	0.658	S	S	*	*			cis	-155.3	103.1	24.2	175.9	168.9	-20.7	0	0	104.3	D223	Q221-D223 PolarHBondContact O-N 2.8Å
222	W	34.8	Very low	50.1	Low	140 Å²	140	116.9 Å²	116.9	53%	0.53	64%	0.637	S	S	.	*			trans	-74.7	120.7	-176.6	-59.2	101.7	0	0	0	108.5	Q224 V232	W222-Q224 PolarHBondContact O-N 2.86Å; W222-V232 HydrophobicContact CE3-CG2 3.75Å; W222-V232 HydrophobicContact CH2-CB 4.11Å; W222-V232 HydrophobicContact CH2-CG1 4.34Å; W222-V232 HydrophobicContact CH2-CG2 3.77Å; W222-V232 HydrophobicContact CZ3-CB 4.09Å; W222-V232 HydrophobicContact CZ3-CG2 3.29Å
223	D	35.3	Very low	52.7	Low	162 Å²	162	108.2 Å²	108.2	87%	0.866	60%	0.599	S	S	*	*			trans	-56	102.7	170.2	-76.9	-39.8	0	0	0	108.8	Q221 N225	Q221-D223 PolarHBondContact O-N 2.8Å; D223-N225 VanDerWaalsContact C-N 3.27Å; D223-N225 PolarHBondContact O-N 3.49Å
224	Q	34.4	Very low	55.5	Low	149 Å²	149	105.5 Å²	105.5	70%	0.696	58%	0.575	S	S	*	*			trans	-71.6	86.7	175.5	-72.7	-87.5	-29.6	0	0	107.2	W222 K226	W222-Q224 PolarHBondContact O-N 2.86Å; Q224-K226 PolarHBondContact O-N 2.92Å
225	N	38.1	Very low	58.2	Low	70 Å²	70	103.6 Å²	103.6	37%	0.374	57%	0.565	S	S	.	*			trans	-69.2	84.5	154.9	-157.3	4.2	0	0	0	106.5	D223 S227	D223-N225 VanDerWaalsContact C-N 3.27Å; D223-N225 PolarHBondContact O-N 3.49Å; N225-S227 PolarHBondContact O-N 3.2Å
226	K	39.8	Very low	60.7	Low	187 Å²	187	103.3 Å²	103.3	81%	0.813	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	3.1	-168.7	-132.2	177.6	-174.6	-179.9	0	114.3	Q224	Q224-K226 PolarHBondContact O-N 2.92Å
227	S	52.7	Low	63.6	Low	98 Å²	98	98.3 Å²	98.3	69%	0.685	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-23	-169.5	-167.7	0	0	0	0	114.7	N225	N225-S227 PolarHBondContact O-N 3.2Å
228	S	65.1	Low	66.2	Low	28 Å²	28	92.6 Å²	92.6	20%	0.196	51%	0.506	C	S	.	.	S	Bend	trans	-115.7	-7	-173.1	60.8	0	0	0	0	115.1	L181 L230	L181-S228 WeakPolarHBondContact CD2-O 3.48Å; S228-L230 PolarHBondContact O-N 3.1Å
229	G	86.8	Confident	69.3	Low	57 Å²	57	88.1 Å²	88.1	59%	0.588	47%	0.474	S	S	*	.			trans	67.3	-0.6	-174.6	0	0	0	0	0	114.8
230	L	93.9	Very high	71.8	Confident	29 Å²	29	78.7 Å²	78.7	15%	0.152	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.9	179	-67.8	168.1	0	0	0	111	Q179 L181 Q194 S228	Q179-L230 HydrophobicContact CB-CB 4.33Å; L181-L230 HydrophobicContact CD2-CD2 3.69Å; L181-L230 HydrophobicContact CD2-CG 4.01Å; L181-L230 HydrophobicContact CG-CD2 3.78Å; Q194-L230 HydrophobicContact CB-CD1 3.72Å; S228-L230 PolarHBondContact O-N 3.1Å
231	S	94.8	Very high	74.9	Confident	44 Å²	44	76.3 Å²	76.3	31%	0.308	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	171.4	168.2	58.5	0	0	0	0	109.9	Q179 C180 H182 C233	Q179-S231 CarbonylContact C-O 3.53Å; Q179-S231 WeakPolarHBondContact CA-O 3.15Å; Q179-S231 WeakPolarHBondContact CB-O 3.49Å; C180-S231 PolarHBondContact N-O 3.3Å; C180-S231 PolarHBondContact O-N 2.86Å; C180-S231 VanDerWaalsContact O-N 3.1Å; H182-S231 PolarHBondContact CD2-OG 3.37Å; H182-S231 PolarHBondContact NE2-OG 3.47Å; S231-C233 PolarHBondContact O-N 3.07Å
232	V	95.9	Very high	77.9	Confident	32 Å²	32	68 Å²	68	19%	0.194	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	132.9	-177.5	177	0	0	0	0	110.1	K177 I178 H182 W222	K177-V232 HydrophobicContact CD-CG2 3.94Å; K177-V232 HydrophobicContact CG-CG2 4.07Å; I178-V232 WeakPolarHBondContact O-CA 3.43Å; H182-V232 PolarHBondContact CE1-O 3.25Å; H182-V232 PolarHBondContact NE2-O 3.19Å; W222-V232 HydrophobicContact CE3-CG2 3.75Å; W222-V232 HydrophobicContact CH2-CB 4.11Å; W222-V232 HydrophobicContact CH2-CG1 4.34Å; W222-V232 HydrophobicContact CH2-CG2 3.77Å; W222-V232 HydrophobicContact CZ3-CB 4.09Å; W222-V232 HydrophobicContact CZ3-CG2 3.29Å
233	C	96.4	Very high	80.7	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.02	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-61	138.4	-179.9	-58.2	0	0	0	0	109.9	F161 I178 C180 S231	F161-C233 HydrophobicContact CD2-CB 3.59Å; F161-C233 HydrophobicContact CE2-CB 3.78Å; I178-C233 PolarHBondContact O-N 3.28Å; C180-C233 HydrophobicContact CB-CB 3.93Å; C180-C233 WeakPolarHBondContact CB-SG 3.03Å; C180-C233 PolarHBondContact N-SG 3.3Å; C180-C233 WeakPolarHBondContact SG-CB 3.37Å; C180-C233 CovalentContact SG-SG 2.04Å; C180-C233 PolarHBondContact SG-SG 2.96Å; S231-C233 PolarHBondContact O-N 3.07Å
234	S	95.4	Very high	82.7	Confident	31 Å²	31	58.5 Å²	58.5	22%	0.217	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-71.7	134.9	175.8	-177.7	0	0	0	0	110.4	Q190 D236	Q190-S234 PolarHBondContact NE2-O 3Å; S234-D236 PolarHBondContact O-N 2.93Å
235	P	95.1	Very high	84	Confident	86 Å²	86	59.3 Å²	59.3	56%	0.558	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.3	177.1	27	-34.3	0	0	0	113.1	F161	F161-P235 HydrophobicContact CD1-CB 3.96Å; F161-P235 HydrophobicContact CE1-CB 4.49Å
236	D	94.1	Very high	86.3	Confident	147 Å²	147	58.8 Å²	58.8	79%	0.786	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.2	-172.3	-56.1	-49.1	0	0	0	114	S234	S234-D236 PolarHBondContact O-N 2.93Å
237	I	95.7	Very high	88.7	Confident	24 Å²	24	52.1 Å²	52.1	12%	0.123	33%	0.332	C	S	.	.	S	Bend	trans	-112	129.3	-177.3	-57.4	177.6	0	0	0	109.1	P183 Q190	P183-I237 HydrophobicContact CG-CG2 4.48Å; Q190-I237 HydrophobicContact CB-CG2 4.07Å; Q190-I237 HydrophobicContact CG-CB 4.35Å; Q190-I237 HydrophobicContact CG-CG2 4.05Å; Q190-I237 PolarHBondContact NE2-O 2.98Å
238	P	97.4	Very high	90.7	Very high	64 Å²	64	49.5 Å²	49.5	42%	0.416	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-54.6	141.4	174.2	-24.7	34	0	0	0	112	Y158 P189 Q190	Y158-P238 HydrophobicContact CD2-CB 4.22Å; Y158-P238 HydrophobicContact CG-CB 4.37Å; P189-P238 CarbonylContact C-O 3.57Å; P189-P238 VanDerWaalsContact CA-O 3.22Å; P189-P238 WeakPolarHBondContact CA-O 3.01Å; P189-P238 HydrophobicContact CB-CB 4.33Å; P189-P238 VanDerWaalsContact CB-O 3.24Å; P189-P238 WeakPolarHBondContact CB-O 3.47Å; Q190-P238 WeakPolarHBondContact CG-O 3.5Å; Q190-P238 PolarHBondContact N-O 3.33Å
239	V	98.4	Very high	92.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.4	-178	-176.3	0	0	0	0	109.6	Y158 Y159 F161 I164 Q190 L192	Y158-V239 WeakPolarHBondContact CA-O 3.28Å; Y159-V239 PolarHBondContact N-O 2.78Å; Y159-V239 PolarHBondContact O-N 3.22Å; F161-V239 HydrophobicContact CB-CG2 4.16Å; I164-V239 HydrophobicContact CD1-CB 3.93Å; I164-V239 HydrophobicContact CD1-CG1 3.7Å; I164-V239 HydrophobicContact CD1-CG2 4.3Å; Q190-V239 HydrophobicContact CG-CG2 4.03Å; Q190-V239 CarbonylContact O-C 3.49Å; Q190-V239 WeakPolarHBondContact O-CA 3.42Å; L192-V239 HydrophobicContact CB-CG1 3.74Å
240	Y	98.2	Very high	92.6	Very high	61 Å²	61	50.4 Å²	50.4	24%	0.239	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.5	169.8	176.3	-132.4	0	0	0	110.1	S155 Y158 Q190 T191 L192 P242 P243	S155-Y240 WeakPolarHBondContact O-CE2 3.46Å; Y158-Y240 AromaticContact CD1-CD2 3.88Å; Y158-Y240 HydrophobicContact CD1-CD2 3.88Å; Y158-Y240 HydrophobicContact CD1-CG 4.29Å; Y158-Y240 AromaticContact CE1-CD2 3.71Å; Y158-Y240 HydrophobicContact CE1-CD2 3.71Å; Y158-Y240 HydrophobicContact CE1-CE2 4.46Å; Y158-Y240 HydrophobicContact CE1-CG 4.1Å; Q190-Y240 PolarHBondContact O-N 3Å; T191-Y240 WeakPolarHBondContact CA-O 3.31Å; T191-Y240 HydrophobicContact CG2-CD1 4.14Å; L192-Y240 PolarHBondContact N-O 3.11Å; Y240-P242 HydrophobicContact CD1-CB 4.27Å; Y240-P242 HydrophobicContact CE1-CB 3.62Å; Y240-P242 HydrophobicContact CE1-CG 4.44Å; Y240-P242 HydrophobicContact CE2-CB 4.47Å; Y240-P242 WeakPolarHBondContact O-CD 3.39Å; Y240-P243 WeakPolarHBondContact OH-CD 3.19Å
241	Y	97.9	Very high	92.5	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	31%	0.313	C	S	.	.			trans	-109.6	95.8	174	-177.3	-165	0	0	0	108.7	W43 W60 I152 T153 P154 S155 Y159 L192	W43-Y241 AromaticContact CD1-CE2 3.99Å; W43-Y241 HydrophobicContact CD2-CD2 4.47Å; W43-Y241 AromaticContact CD2-CE2 3.54Å; W43-Y241 HydrophobicContact CD2-CE2 3.54Å; W43-Y241 AromaticContact CE2-CE2 3.45Å; W43-Y241 VanDerWaalsContact CE2-CE2 3.45Å; W43-Y241 AromaticContact CE3-CE2 3.88Å; W43-Y241 HydrophobicContact CE3-CE2 3.88Å; W43-Y241 AromaticContact CG-CE2 3.95Å; W43-Y241 HydrophobicContact CG-CE2 3.95Å; W43-Y241 HydrophobicContact CH2-CE2 4.13Å; W43-Y241 AromaticContact CZ2-CE2 3.81Å; W43-Y241 HydrophobicContact CZ2-CE2 3.81Å; W43-Y241 HydrophobicContact CZ3-CE2 4.13Å; W43-Y241 VanDerWaalsContact CZ3-OH 3.24Å; W43-Y241 WeakPolarHBondContact CZ3-OH 2.91Å; W43-Y241 AromaticContact NE1-CD2 3.99Å; W43-Y241 AromaticContact NE1-CE2 3.68Å; W60-Y241 HydrophobicContact CZ2-CE2 4.27Å; W60-Y241 AromaticContact NE1-CZ 3.66Å; W60-Y241 PolarHBondContact NE1-OH 2.91Å; I152-Y241 HydrophobicContact CG2-CD1 4.21Å; T153-Y241 VanDerWaalsContact C-CE1 3.5Å; T153-Y241 WeakPolarHBondContact O-CD1 3.36Å; P154-Y241 WeakPolarHBondContact CA-O 3.37Å; P154-Y241 HydrophobicContact CB-CD1 4.46Å; P154-Y241 HydrophobicContact CB-CD2 4.46Å; P154-Y241 HydrophobicContact CB-CE1 4.36Å; P154-Y241 HydrophobicContact CB-CE2 4.34Å; P154-Y241 HydrophobicContact CB-CG 4.5Å; P154-Y241 HydrophobicContact CG-CD1 4.31Å; P154-Y241 HydrophobicContact CG-CD2 4.46Å; P154-Y241 HydrophobicContact CG-CE1 3.73Å; P154-Y241 HydrophobicContact CG-CE2 3.89Å; P154-Y241 VanDerWaalsContact CG-CZ 3.47Å; P154-Y241 VanDerWaalsContact N-CD1 3.35Å; P154-Y241 VanDerWaalsContact N-CE1 3.28Å; S155-Y241 PolarHBondContact N-O 2.98Å; Y159-Y241 HydrophobicContact CE2-CD1 4.4Å; L192-Y241 HydrophobicContact CD2-CD2 4.12Å; L192-Y241 HydrophobicContact CD2-CG 4.12Å
242	P	96.1	Very high	92.3	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.045	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-68.6	129.9	-163.5	22.2	-31.3	0	0	0	112.5	W43 K45 T46 T191 Y240	W43-P242 PolarHBondContact NE1-O 3.36Å; K45-P242 HydrophobicContact CB-CG 4.22Å; K45-P242 HydrophobicContact CG-CB 3.87Å; K45-P242 HydrophobicContact CG-CG 4.06Å; T46-P242 WeakPolarHBondContact OG1-CG 3.3Å; T191-P242 HydrophobicContact CG2-CG 3.84Å; Y240-P242 HydrophobicContact CD1-CB 4.27Å; Y240-P242 HydrophobicContact CE1-CB 3.62Å; Y240-P242 HydrophobicContact CE1-CG 4.44Å; Y240-P242 HydrophobicContact CE2-CB 4.47Å; Y240-P242 WeakPolarHBondContact O-CD 3.39Å
243	P	93.2	Very high	92	Very high	34 Å²	34	53.9 Å²	53.9	22%	0.221	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-70.6	160.2	-179.9	30.9	-34	0	0	0	113.9	P154 Y240 S245	P154-P243 VanDerWaalsContact CB-CA 3.48Å; P154-P243 HydrophobicContact CB-CB 4.18Å; Y240-P243 WeakPolarHBondContact OH-CD 3.19Å; P243-S245 PolarHBondContact O-N 3.5Å
244	D	77.3	Confident	91.7	Very high	70 Å²	70	58.2 Å²	58.2	37%	0.374	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.7	121.6	163.2	-52.7	-54.5	0	0	0	107.7	S58	S58-D244 VanDerWaalsContact CA-OD1 3.32Å; S58-D244 WeakPolarHBondContact CA-OD1 3.24Å; S58-D244 WeakPolarHBondContact CA-OD2 3.48Å; S58-D244 WeakPolarHBondContact CB-OD1 3.46Å; S58-D244 WeakPolarHBondContact CB-OD2 3.49Å
245	S	61.2	Low	91.3	Very high	166 Å²	166	60.6 Å²	60.6	100%	1.161	36%	0.36	S	S	*	.			trans	-66.3	0	178.9	52.7	0	0	0	0	112.4	P243	P243-S245 PolarHBondContact O-N 3.5Å

Retrieved 245 of 245 residues in 182.8 ms (Link to these results)

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